Ticket #1547: 4pno_assembly.cif

data_4PNO
#
_coordinate_server_result.query_type      assembly 
_coordinate_server_result.datetime_utc    '2018-12-16 19:56:20' 
_coordinate_server_result.is_empty        no 
_coordinate_server_result.has_error       no 
_coordinate_server_result.api_version     1.4.8 
_coordinate_server_result.core_version    3.2.1 
#
loop_
_coordinate_server_query_params.name
_coordinate_server_query_params.value
id 1 
atomSitesOnly 0 
modelId . 
format mmCIF 
encoding cif 
lowPrecisionCoords false 
#
_entry.id    4PNO 
#
loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.details
_entity.pdbx_mutation
_entity.pdbx_fragment
_entity.pdbx_ec
1 polymer man 'RNA-binding protein Hfq' ? ? . ? ? ? 
2 non-polymer syn "URIDINE-5'-MONOPHOSPHATE" ? ? . ? ? ? 
3 water nat water ? ? . ? ? ? 
#
_exptl.entry_id    4PNO 
_exptl.method      'X-ray diffraction' 
#
_cell.entry_id            4PNO 
_cell.length_a            61.11 
_cell.length_b            61.11 
_cell.length_c            27.86 
_cell.angle_alpha         90 
_cell.angle_beta          90 
_cell.angle_gamma         120 
_cell.Z_PDB               6 
_cell.pdbx_unique_axis    ? 
#
_symmetry.entry_id                          4PNO 
_symmetry.space_group_name_H-M              'P 6' 
_symmetry.pdbx_full_space_group_name_H-M    ? 
_symmetry.cell_setting                      ? 
_symmetry.Int_Tables_number                 168 
_symmetry.space_group_name_Hall             . 
#
loop_
_struct_conf.conf_type_id
_struct_conf.id
_struct_conf.pdbx_PDB_helix_id
_struct_conf.beg_label_comp_id
_struct_conf.beg_label_asym_id
_struct_conf.beg_label_seq_id
_struct_conf.pdbx_beg_PDB_ins_code
_struct_conf.end_label_comp_id
_struct_conf.end_label_asym_id
_struct_conf.end_label_seq_id
_struct_conf.pdbx_end_PDB_ins_code
_struct_conf.beg_auth_comp_id
_struct_conf.beg_auth_asym_id
_struct_conf.beg_auth_seq_id
_struct_conf.end_auth_comp_id
_struct_conf.end_auth_asym_id
_struct_conf.end_auth_seq_id
_struct_conf.pdbx_PDB_helix_class
_struct_conf.details
_struct_conf.pdbx_PDB_helix_length
HELX_P HELX_P1 1 LEU A 7 . ARG A 19 . LEU A 7 ARG A 19 1 ? 13 
HELX_P HELX_P2 2 LEU A-2 7 . ARG A-2 19 . LEU A-2 7 ARG A-2 19 1 ? 13 
HELX_P HELX_P3 3 LEU A-3 7 . ARG A-3 19 . LEU A-3 7 ARG A-3 19 1 ? 13 
HELX_P HELX_P4 4 LEU A-4 7 . ARG A-4 19 . LEU A-4 7 ARG A-4 19 1 ? 13 
HELX_P HELX_P5 5 LEU A-5 7 . ARG A-5 19 . LEU A-5 7 ARG A-5 19 1 ? 13 
HELX_P HELX_P6 6 LEU A-6 7 . ARG A-6 19 . LEU A-6 7 ARG A-6 19 1 ? 13 
#
loop_
_struct_sheet_range.sheet_id
_struct_sheet_range.id
_struct_sheet_range.beg_label_comp_id
_struct_sheet_range.beg_label_asym_id
_struct_sheet_range.beg_label_seq_id
_struct_sheet_range.pdbx_beg_PDB_ins_code
_struct_sheet_range.end_label_comp_id
_struct_sheet_range.end_label_asym_id
_struct_sheet_range.end_label_seq_id
_struct_sheet_range.pdbx_end_PDB_ins_code
_struct_sheet_range.symmetry
_struct_sheet_range.beg_auth_comp_id
_struct_sheet_range.beg_auth_asym_id
_struct_sheet_range.beg_auth_seq_id
_struct_sheet_range.end_auth_comp_id
_struct_sheet_range.end_auth_asym_id
_struct_sheet_range.end_auth_seq_id
AA1 4 VAL A 22 . LEU A 26 . ? VAL A 22 LEU A 26 
AA1 3 LYS A 31 . PHE A 39 . ? LYS A 31 PHE A 39 
AA1 2 VAL A 43 . LYS A 47 . ? VAL A 43 LYS A 47 
AA1 1 GLN A 52 . TYR A 55 . ? GLN A 52 TYR A 55 
AA1 5 ILE A 59 . PRO A 64 . ? ILE A 59 PRO A 64 
AA1 4 VAL A-2 22 . LEU A-2 26 . ? VAL A-2 22 LEU A-2 26 
AA1 3 LYS A-2 31 . PHE A-2 39 . ? LYS A-2 31 PHE A-2 39 
AA1 2 VAL A-2 43 . LYS A-2 47 . ? VAL A-2 43 LYS A-2 47 
AA1 1 GLN A-2 52 . TYR A-2 55 . ? GLN A-2 52 TYR A-2 55 
AA1 5 ILE A-2 59 . PRO A-2 64 . ? ILE A-2 59 PRO A-2 64 
AA1 4 VAL A-3 22 . LEU A-3 26 . ? VAL A-3 22 LEU A-3 26 
AA1 3 LYS A-3 31 . PHE A-3 39 . ? LYS A-3 31 PHE A-3 39 
AA1 2 VAL A-3 43 . LYS A-3 47 . ? VAL A-3 43 LYS A-3 47 
AA1 1 GLN A-3 52 . TYR A-3 55 . ? GLN A-3 52 TYR A-3 55 
AA1 5 ILE A-3 59 . PRO A-3 64 . ? ILE A-3 59 PRO A-3 64 
AA1 4 VAL A-4 22 . LEU A-4 26 . ? VAL A-4 22 LEU A-4 26 
AA1 3 LYS A-4 31 . PHE A-4 39 . ? LYS A-4 31 PHE A-4 39 
AA1 2 VAL A-4 43 . LYS A-4 47 . ? VAL A-4 43 LYS A-4 47 
AA1 1 GLN A-4 52 . TYR A-4 55 . ? GLN A-4 52 TYR A-4 55 
AA1 5 ILE A-4 59 . PRO A-4 64 . ? ILE A-4 59 PRO A-4 64 
AA1 4 VAL A-5 22 . LEU A-5 26 . ? VAL A-5 22 LEU A-5 26 
AA1 3 LYS A-5 31 . PHE A-5 39 . ? LYS A-5 31 PHE A-5 39 
AA1 2 VAL A-5 43 . LYS A-5 47 . ? VAL A-5 43 LYS A-5 47 
AA1 1 GLN A-5 52 . TYR A-5 55 . ? GLN A-5 52 TYR A-5 55 
AA1 5 ILE A-5 59 . PRO A-5 64 . ? ILE A-5 59 PRO A-5 64 
AA1 4 VAL A-6 22 . LEU A-6 26 . ? VAL A-6 22 LEU A-6 26 
AA1 3 LYS A-6 31 . PHE A-6 39 . ? LYS A-6 31 PHE A-6 39 
AA1 2 VAL A-6 43 . LYS A-6 47 . ? VAL A-6 43 LYS A-6 47 
AA1 1 GLN A-6 52 . TYR A-6 55 . ? GLN A-6 52 TYR A-6 55 
AA1 5 ILE A-6 59 . PRO A-6 64 . ? ILE A-6 59 PRO A-6 64 
#
_entity_poly.entity_id                       1 
_entity_poly.type                            polypeptide(L) 
_entity_poly.nstd_linkage                    no 
_entity_poly.nstd_monomer                    no 
_entity_poly.pdbx_seq_one_letter_code        MAKGQSLQDPFLNALRRERVPVSIYLVNGIKLQGQIESFDQFVILLKNTVSQMVYKHAISTVVPSRPVSHHS 
_entity_poly.pdbx_seq_one_letter_code_can    MAKGQSLQDPFLNALRRERVPVSIYLVNGIKLQGQIESFDQFVILLKNTVSQMVYKHAISTVVPSRPVSHHS 
_entity_poly.pdbx_strand_id                  A,A-2,A-3,A-4,A-5,A-6 
#
loop_
_struct_asym.id
_struct_asym.pdbx_blank_PDB_chainid_flag
_struct_asym.pdbx_modified
_struct_asym.entity_id
_struct_asym.details
A N Y 1 'Might not contain all original atoms depending on the query used' 
A-2 N Y 1 'Added by the Coordinate Server' 
A-3 N Y 1 'Added by the Coordinate Server' 
A-4 N Y 1 'Added by the Coordinate Server' 
A-5 N Y 1 'Added by the Coordinate Server' 
A-6 N Y 1 'Added by the Coordinate Server' 
B N Y 2 'Might not contain all original atoms depending on the query used' 
B-2 N Y 2 'Added by the Coordinate Server' 
B-3 N Y 2 'Added by the Coordinate Server' 
B-4 N Y 2 'Added by the Coordinate Server' 
B-5 N Y 2 'Added by the Coordinate Server' 
B-6 N Y 2 'Added by the Coordinate Server' 
C N Y 3 'Might not contain all original atoms depending on the query used' 
C-2 N Y 3 'Added by the Coordinate Server' 
C-3 N Y 3 'Added by the Coordinate Server' 
C-4 N Y 3 'Added by the Coordinate Server' 
C-5 N Y 3 'Added by the Coordinate Server' 
C-6 N Y 3 'Added by the Coordinate Server' 
#
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.pdbx_stereo_config
_chem_comp_bond.pdbx_ordinal
_chem_comp_bond.pdbx_aromatic_flag
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
ALA N 1 N N CA SING 
ALA N 2 N N H SING 
ALA N 3 N N H2 SING 
ALA N 4 N CA C SING 
ALA N 5 N CA CB SING 
ALA N 6 N CA HA SING 
ALA N 7 N C O DOUB 
ALA N 8 N C OXT SING 
ALA N 9 N CB HB1 SING 
ALA N 10 N CB HB2 SING 
ALA N 11 N CB HB3 SING 
ALA N 12 N OXT HXT SING 
ARG N 1 N N CA SING 
ARG N 2 N N H SING 
ARG N 3 N N H2 SING 
ARG N 4 N CA C SING 
ARG N 5 N CA CB SING 
ARG N 6 N CA HA SING 
ARG N 7 N C O DOUB 
ARG N 8 N C OXT SING 
ARG N 9 N CB CG SING 
ARG N 10 N CB HB2 SING 
ARG N 11 N CB HB3 SING 
ARG N 12 N CG CD SING 
ARG N 13 N CG HG2 SING 
ARG N 14 N CG HG3 SING 
ARG N 15 N CD NE SING 
ARG N 16 N CD HD2 SING 
ARG N 17 N CD HD3 SING 
ARG N 18 N NE CZ SING 
ARG N 19 N NE HE SING 
ARG N 20 N CZ NH1 SING 
ARG N 21 N CZ NH2 DOUB 
ARG N 22 N NH1 HH11 SING 
ARG N 23 N NH1 HH12 SING 
ARG N 24 N NH2 HH21 SING 
ARG N 25 N NH2 HH22 SING 
ARG N 26 N OXT HXT SING 
ASN N 1 N N CA SING 
ASN N 2 N N H SING 
ASN N 3 N N H2 SING 
ASN N 4 N CA C SING 
ASN N 5 N CA CB SING 
ASN N 6 N CA HA SING 
ASN N 7 N C O DOUB 
ASN N 8 N C OXT SING 
ASN N 9 N CB CG SING 
ASN N 10 N CB HB2 SING 
ASN N 11 N CB HB3 SING 
ASN N 12 N CG OD1 DOUB 
ASN N 13 N CG ND2 SING 
ASN N 14 N ND2 HD21 SING 
ASN N 15 N ND2 HD22 SING 
ASN N 16 N OXT HXT SING 
ASP N 1 N N CA SING 
ASP N 2 N N H SING 
ASP N 3 N N H2 SING 
ASP N 4 N CA C SING 
ASP N 5 N CA CB SING 
ASP N 6 N CA HA SING 
ASP N 7 N C O DOUB 
ASP N 8 N C OXT SING 
ASP N 9 N CB CG SING 
ASP N 10 N CB HB2 SING 
ASP N 11 N CB HB3 SING 
ASP N 12 N CG OD1 DOUB 
ASP N 13 N CG OD2 SING 
ASP N 14 N OD2 HD2 SING 
ASP N 15 N OXT HXT SING 
GLN N 1 N N CA SING 
GLN N 2 N N H SING 
GLN N 3 N N H2 SING 
GLN N 4 N CA C SING 
GLN N 5 N CA CB SING 
GLN N 6 N CA HA SING 
GLN N 7 N C O DOUB 
GLN N 8 N C OXT SING 
GLN N 9 N CB CG SING 
GLN N 10 N CB HB2 SING 
GLN N 11 N CB HB3 SING 
GLN N 12 N CG CD SING 
GLN N 13 N CG HG2 SING 
GLN N 14 N CG HG3 SING 
GLN N 15 N CD OE1 DOUB 
GLN N 16 N CD NE2 SING 
GLN N 17 N NE2 HE21 SING 
GLN N 18 N NE2 HE22 SING 
GLN N 19 N OXT HXT SING 
GLU N 1 N N CA SING 
GLU N 2 N N H SING 
GLU N 3 N N H2 SING 
GLU N 4 N CA C SING 
GLU N 5 N CA CB SING 
GLU N 6 N CA HA SING 
GLU N 7 N C O DOUB 
GLU N 8 N C OXT SING 
GLU N 9 N CB CG SING 
GLU N 10 N CB HB2 SING 
GLU N 11 N CB HB3 SING 
GLU N 12 N CG CD SING 
GLU N 13 N CG HG2 SING 
GLU N 14 N CG HG3 SING 
GLU N 15 N CD OE1 DOUB 
GLU N 16 N CD OE2 SING 
GLU N 17 N OE2 HE2 SING 
GLU N 18 N OXT HXT SING 
GLY N 1 N N CA SING 
GLY N 2 N N H SING 
GLY N 3 N N H2 SING 
GLY N 4 N CA C SING 
GLY N 5 N CA HA2 SING 
GLY N 6 N CA HA3 SING 
GLY N 7 N C O DOUB 
GLY N 8 N C OXT SING 
GLY N 9 N OXT HXT SING 
HIS N 1 N N CA SING 
HIS N 2 N N H SING 
HIS N 3 N N H2 SING 
HIS N 4 N CA C SING 
HIS N 5 N CA CB SING 
HIS N 6 N CA HA SING 
HIS N 7 N C O DOUB 
HIS N 8 N C OXT SING 
HIS N 9 N CB CG SING 
HIS N 10 N CB HB2 SING 
HIS N 11 N CB HB3 SING 
HIS N 12 Y CG ND1 SING 
HIS N 13 Y CG CD2 DOUB 
HIS N 14 Y ND1 CE1 DOUB 
HIS N 15 N ND1 HD1 SING 
HIS N 16 Y CD2 NE2 SING 
HIS N 17 N CD2 HD2 SING 
HIS N 18 Y CE1 NE2 SING 
HIS N 19 N CE1 HE1 SING 
HIS N 20 N NE2 HE2 SING 
HIS N 21 N OXT HXT SING 
HOH N 1 N O H1 SING 
HOH N 2 N O H2 SING 
ILE N 1 N N CA SING 
ILE N 2 N N H SING 
ILE N 3 N N H2 SING 
ILE N 4 N CA C SING 
ILE N 5 N CA CB SING 
ILE N 6 N CA HA SING 
ILE N 7 N C O DOUB 
ILE N 8 N C OXT SING 
ILE N 9 N CB CG1 SING 
ILE N 10 N CB CG2 SING 
ILE N 11 N CB HB SING 
ILE N 12 N CG1 CD1 SING 
ILE N 13 N CG1 HG12 SING 
ILE N 14 N CG1 HG13 SING 
ILE N 15 N CG2 HG21 SING 
ILE N 16 N CG2 HG22 SING 
ILE N 17 N CG2 HG23 SING 
ILE N 18 N CD1 HD11 SING 
ILE N 19 N CD1 HD12 SING 
ILE N 20 N CD1 HD13 SING 
ILE N 21 N OXT HXT SING 
LEU N 1 N N CA SING 
LEU N 2 N N H SING 
LEU N 3 N N H2 SING 
LEU N 4 N CA C SING 
LEU N 5 N CA CB SING 
LEU N 6 N CA HA SING 
LEU N 7 N C O DOUB 
LEU N 8 N C OXT SING 
LEU N 9 N CB CG SING 
LEU N 10 N CB HB2 SING 
LEU N 11 N CB HB3 SING 
LEU N 12 N CG CD1 SING 
LEU N 13 N CG CD2 SING 
LEU N 14 N CG HG SING 
LEU N 15 N CD1 HD11 SING 
LEU N 16 N CD1 HD12 SING 
LEU N 17 N CD1 HD13 SING 
LEU N 18 N CD2 HD21 SING 
LEU N 19 N CD2 HD22 SING 
LEU N 20 N CD2 HD23 SING 
LEU N 21 N OXT HXT SING 
LYS N 1 N N CA SING 
LYS N 2 N N H SING 
LYS N 3 N N H2 SING 
LYS N 4 N CA C SING 
LYS N 5 N CA CB SING 
LYS N 6 N CA HA SING 
LYS N 7 N C O DOUB 
LYS N 8 N C OXT SING 
LYS N 9 N CB CG SING 
LYS N 10 N CB HB2 SING 
LYS N 11 N CB HB3 SING 
LYS N 12 N CG CD SING 
LYS N 13 N CG HG2 SING 
LYS N 14 N CG HG3 SING 
LYS N 15 N CD CE SING 
LYS N 16 N CD HD2 SING 
LYS N 17 N CD HD3 SING 
LYS N 18 N CE NZ SING 
LYS N 19 N CE HE2 SING 
LYS N 20 N CE HE3 SING 
LYS N 21 N NZ HZ1 SING 
LYS N 22 N NZ HZ2 SING 
LYS N 23 N NZ HZ3 SING 
LYS N 24 N OXT HXT SING 
MET N 1 N N CA SING 
MET N 2 N N H SING 
MET N 3 N N H2 SING 
MET N 4 N CA C SING 
MET N 5 N CA CB SING 
MET N 6 N CA HA SING 
MET N 7 N C O DOUB 
MET N 8 N C OXT SING 
MET N 9 N CB CG SING 
MET N 10 N CB HB2 SING 
MET N 11 N CB HB3 SING 
MET N 12 N CG SD SING 
MET N 13 N CG HG2 SING 
MET N 14 N CG HG3 SING 
MET N 15 N SD CE SING 
MET N 16 N CE HE1 SING 
MET N 17 N CE HE2 SING 
MET N 18 N CE HE3 SING 
MET N 19 N OXT HXT SING 
PHE N 1 N N CA SING 
PHE N 2 N N H SING 
PHE N 3 N N H2 SING 
PHE N 4 N CA C SING 
PHE N 5 N CA CB SING 
PHE N 6 N CA HA SING 
PHE N 7 N C O DOUB 
PHE N 8 N C OXT SING 
PHE N 9 N CB CG SING 
PHE N 10 N CB HB2 SING 
PHE N 11 N CB HB3 SING 
PHE N 12 Y CG CD1 DOUB 
PHE N 13 Y CG CD2 SING 
PHE N 14 Y CD1 CE1 SING 
PHE N 15 N CD1 HD1 SING 
PHE N 16 Y CD2 CE2 DOUB 
PHE N 17 N CD2 HD2 SING 
PHE N 18 Y CE1 CZ DOUB 
PHE N 19 N CE1 HE1 SING 
PHE N 20 Y CE2 CZ SING 
PHE N 21 N CE2 HE2 SING 
PHE N 22 N CZ HZ SING 
PHE N 23 N OXT HXT SING 
PRO N 1 N N CA SING 
PRO N 2 N N CD SING 
PRO N 3 N N H SING 
PRO N 4 N CA C SING 
PRO N 5 N CA CB SING 
PRO N 6 N CA HA SING 
PRO N 7 N C O DOUB 
PRO N 8 N C OXT SING 
PRO N 9 N CB CG SING 
PRO N 10 N CB HB2 SING 
PRO N 11 N CB HB3 SING 
PRO N 12 N CG CD SING 
PRO N 13 N CG HG2 SING 
PRO N 14 N CG HG3 SING 
PRO N 15 N CD HD2 SING 
PRO N 16 N CD HD3 SING 
PRO N 17 N OXT HXT SING 
SER N 1 N N CA SING 
SER N 2 N N H SING 
SER N 3 N N H2 SING 
SER N 4 N CA C SING 
SER N 5 N CA CB SING 
SER N 6 N CA HA SING 
SER N 7 N C O DOUB 
SER N 8 N C OXT SING 
SER N 9 N CB OG SING 
SER N 10 N CB HB2 SING 
SER N 11 N CB HB3 SING 
SER N 12 N OG HG SING 
SER N 13 N OXT HXT SING 
THR N 1 N N CA SING 
THR N 2 N N H SING 
THR N 3 N N H2 SING 
THR N 4 N CA C SING 
THR N 5 N CA CB SING 
THR N 6 N CA HA SING 
THR N 7 N C O DOUB 
THR N 8 N C OXT SING 
THR N 9 N CB OG1 SING 
THR N 10 N CB CG2 SING 
THR N 11 N CB HB SING 
THR N 12 N OG1 HG1 SING 
THR N 13 N CG2 HG21 SING 
THR N 14 N CG2 HG22 SING 
THR N 15 N CG2 HG23 SING 
THR N 16 N OXT HXT SING 
TYR N 1 N N CA SING 
TYR N 2 N N H SING 
TYR N 3 N N H2 SING 
TYR N 4 N CA C SING 
TYR N 5 N CA CB SING 
TYR N 6 N CA HA SING 
TYR N 7 N C O DOUB 
TYR N 8 N C OXT SING 
TYR N 9 N CB CG SING 
TYR N 10 N CB HB2 SING 
TYR N 11 N CB HB3 SING 
TYR N 12 Y CG CD1 DOUB 
TYR N 13 Y CG CD2 SING 
TYR N 14 Y CD1 CE1 SING 
TYR N 15 N CD1 HD1 SING 
TYR N 16 Y CD2 CE2 DOUB 
TYR N 17 N CD2 HD2 SING 
TYR N 18 Y CE1 CZ DOUB 
TYR N 19 N CE1 HE1 SING 
TYR N 20 Y CE2 CZ SING 
TYR N 21 N CE2 HE2 SING 
TYR N 22 N CZ OH SING 
TYR N 23 N OH HH SING 
TYR N 24 N OXT HXT SING 
U5P N 1 N N1 C2 SING 
U5P N 2 N N1 C6 SING 
U5P N 3 N N1 C1' SING 
U5P N 4 N C2 N3 SING 
U5P N 5 N C2 O2 DOUB 
U5P N 6 N N3 C4 SING 
U5P N 7 N N3 HN3 SING 
U5P N 8 N C4 C5 SING 
U5P N 9 N C4 O4 DOUB 
U5P N 10 N C5 C6 DOUB 
U5P N 11 N C5 H5 SING 
U5P N 12 N C6 H6 SING 
U5P N 13 N C1' C2' SING 
U5P N 14 N C1' O4' SING 
U5P N 15 N C1' H1' SING 
U5P N 16 N C2' O2' SING 
U5P N 17 N C2' C3' SING 
U5P N 18 N C2' H2' SING 
U5P N 19 N O2' HO2' SING 
U5P N 20 N C3' C4' SING 
U5P N 21 N C3' O3' SING 
U5P N 22 N C3' H3' SING 
U5P N 23 N C4' O4' SING 
U5P N 24 N C4' C5' SING 
U5P N 25 N C4' H4' SING 
U5P N 26 N O3' HO3' SING 
U5P N 27 N C5' O5' SING 
U5P N 28 N C5' "H5'1" SING 
U5P N 29 N C5' "H5'2" SING 
U5P N 30 N O5' P SING 
U5P N 31 N P O1P DOUB 
U5P N 32 N P O2P SING 
U5P N 33 N P O3P SING 
U5P N 34 N O2P HOP2 SING 
U5P N 35 N O3P HOP3 SING 
VAL N 1 N N CA SING 
VAL N 2 N N H SING 
VAL N 3 N N H2 SING 
VAL N 4 N CA C SING 
VAL N 5 N CA CB SING 
VAL N 6 N CA HA SING 
VAL N 7 N C O DOUB 
VAL N 8 N C OXT SING 
VAL N 9 N CB CG1 SING 
VAL N 10 N CB CG2 SING 
VAL N 11 N CB HB SING 
VAL N 12 N CG1 HG11 SING 
VAL N 13 N CG1 HG12 SING 
VAL N 14 N CG1 HG13 SING 
VAL N 15 N CG2 HG21 SING 
VAL N 16 N CG2 HG22 SING 
VAL N 17 N CG2 HG23 SING 
VAL N 18 N OXT HXT SING 
#
_atom_sites.entry_id                     4PNO 
_atom_sites.fract_transf_matrix[1][1]    0.016364 
_atom_sites.fract_transf_matrix[1][2]    0.009448 
_atom_sites.fract_transf_matrix[1][3]    0 
_atom_sites.fract_transf_vector[1]       0 
_atom_sites.fract_transf_matrix[2][1]    0 
_atom_sites.fract_transf_matrix[2][2]    0.018895 
_atom_sites.fract_transf_matrix[2][3]    0 
_atom_sites.fract_transf_vector[2]       0 
_atom_sites.fract_transf_matrix[3][1]    0 
_atom_sites.fract_transf_matrix[3][2]    0 
_atom_sites.fract_transf_matrix[3][3]    0.035894 
_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.ndb_seq_num
_pdbx_nonpoly_scheme.pdb_seq_num
_pdbx_nonpoly_scheme.auth_seq_num
_pdbx_nonpoly_scheme.pdb_mon_id
_pdbx_nonpoly_scheme.auth_mon_id
_pdbx_nonpoly_scheme.pdb_strand_id
_pdbx_nonpoly_scheme.pdb_ins_code
B 2 U5P 1 101 1 U5P U5P A . 
C 3 HOH 1 201 52 HOH HOH A . 
C 3 HOH 2 202 74 HOH HOH A . 
C 3 HOH 3 203 16 HOH HOH A . 
C 3 HOH 4 204 56 HOH HOH A . 
C 3 HOH 5 205 8 HOH HOH A . 
C 3 HOH 6 206 15 HOH HOH A . 
C 3 HOH 7 207 11 HOH HOH A . 
C 3 HOH 8 208 21 HOH HOH A . 
C 3 HOH 9 209 23 HOH HOH A . 
C 3 HOH 10 210 41 HOH HOH A . 
C 3 HOH 11 211 22 HOH HOH A . 
C 3 HOH 12 212 9 HOH HOH A . 
C 3 HOH 13 213 13 HOH HOH A . 
C 3 HOH 14 214 26 HOH HOH A . 
C 3 HOH 15 215 65 HOH HOH A . 
C 3 HOH 16 216 30 HOH HOH A . 
C 3 HOH 17 217 6 HOH HOH A . 
C 3 HOH 18 218 14 HOH HOH A . 
C 3 HOH 19 219 20 HOH HOH A . 
C 3 HOH 20 220 4 HOH HOH A . 
C 3 HOH 21 221 40 HOH HOH A . 
C 3 HOH 22 222 3 HOH HOH A . 
C 3 HOH 23 223 5 HOH HOH A . 
C 3 HOH 24 224 17 HOH HOH A . 
C 3 HOH 25 225 43 HOH HOH A . 
C 3 HOH 26 226 33 HOH HOH A . 
C 3 HOH 27 227 37 HOH HOH A . 
C 3 HOH 28 228 18 HOH HOH A . 
C 3 HOH 29 229 19 HOH HOH A . 
C 3 HOH 30 230 62 HOH HOH A . 
C 3 HOH 31 231 46 HOH HOH A . 
C 3 HOH 32 232 73 HOH HOH A . 
C 3 HOH 33 233 49 HOH HOH A . 
C 3 HOH 34 234 38 HOH HOH A . 
C 3 HOH 35 235 36 HOH HOH A . 
C 3 HOH 36 236 68 HOH HOH A . 
C 3 HOH 37 237 32 HOH HOH A . 
C 3 HOH 38 238 64 HOH HOH A . 
C 3 HOH 39 239 29 HOH HOH A . 
C 3 HOH 40 240 7 HOH HOH A . 
C 3 HOH 41 241 70 HOH HOH A . 
C 3 HOH 42 242 47 HOH HOH A . 
C 3 HOH 43 243 72 HOH HOH A . 
C 3 HOH 44 244 67 HOH HOH A . 
C 3 HOH 45 245 69 HOH HOH A . 
C 3 HOH 46 246 59 HOH HOH A . 
C 3 HOH 47 247 54 HOH HOH A . 
C 3 HOH 48 248 48 HOH HOH A . 
C 3 HOH 49 249 61 HOH HOH A . 
C 3 HOH 50 250 42 HOH HOH A . 
C 3 HOH 51 251 57 HOH HOH A . 
C 3 HOH 52 252 35 HOH HOH A . 
C 3 HOH 53 253 1 HOH HOH A . 
C 3 HOH 54 254 2 HOH HOH A . 
C 3 HOH 55 255 10 HOH HOH A . 
C 3 HOH 56 256 12 HOH HOH A . 
C 3 HOH 57 257 24 HOH HOH A . 
C 3 HOH 58 258 25 HOH HOH A . 
C 3 HOH 59 259 27 HOH HOH A . 
C 3 HOH 60 260 28 HOH HOH A . 
C 3 HOH 61 261 31 HOH HOH A . 
C 3 HOH 62 262 34 HOH HOH A . 
C 3 HOH 63 263 39 HOH HOH A . 
C 3 HOH 64 264 44 HOH HOH A . 
C 3 HOH 65 265 45 HOH HOH A . 
C 3 HOH 66 266 50 HOH HOH A . 
C 3 HOH 67 267 51 HOH HOH A . 
C 3 HOH 68 268 53 HOH HOH A . 
C 3 HOH 69 269 55 HOH HOH A . 
C 3 HOH 70 270 58 HOH HOH A . 
C 3 HOH 71 271 60 HOH HOH A . 
C 3 HOH 72 272 63 HOH HOH A . 
C 3 HOH 73 273 66 HOH HOH A . 
C 3 HOH 74 274 71 HOH HOH A . 
C 3 HOH 75 275 75 HOH HOH A . 
C 3 HOH 76 276 76 HOH HOH A . 
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.pdbx_formal_charge
_atom_site.auth_atom_id
_atom_site.auth_comp_id
_atom_site.auth_asym_id
_atom_site.auth_seq_id
_atom_site.pdbx_PDB_model_num
ATOM 1 N N . SER A 1 6 . 77.388 3.952 14.384 1 42.4 ? N SER A 6 1 
ATOM 2 C CA . SER A 1 6 . 78.762 3.877 14.868 1 38.11 ? CA SER A 6 1 
ATOM 3 C C . SER A 1 6 . 79.758 4.202 13.75 1 27.53 ? C SER A 6 1 
ATOM 4 O O . SER A 1 6 . 80.876 4.663 14.041 1 30.47 ? O SER A 6 1 
ATOM 5 C CB . SER A 1 6 . 79.064 2.49 15.443 1 44.85 ? CB SER A 6 1 
ATOM 6 O OG . SER A 1 6 . 80.452 2.362 15.701 1 49.08 ? OG SER A 6 1 
ATOM 7 H HA . SER A 1 6 . 78.883 4.529 15.577 1 45.73 ? HA SER A 6 1 
ATOM 8 H HB2 . SER A 1 6 . 78.574 2.376 16.273 1 53.82 ? HB2 SER A 6 1 
ATOM 9 H HB3 . SER A 1 6 . 78.796 1.814 14.801 1 53.82 ? HB3 SER A 6 1 
ATOM 10 H HG . SER A 1 6 . 80.696 2.945 16.254 1 58.9 ? HG SER A 6 1 
ATOM 11 N N . LEU A 1 7 . 79.399 3.868 12.522 1 20.91 ? N LEU A 7 1 
ATOM 12 C CA . LEU A 1 7 . 80.207 4.248 11.376 1 17.82 ? CA LEU A 7 1 
ATOM 13 C C . LEU A 1 7 . 79.545 5.313 10.553 1 15.24 ? C LEU A 7 1 
ATOM 14 O O . LEU A 1 7 . 80.197 6.246 10.059 1 15.55 ? O LEU A 7 1 
ATOM 15 C CB . LEU A 1 7 . 80.401 2.981 10.575 1 21.87 ? CB LEU A 7 1 
ATOM 16 C CG . LEU A 1 7 . 81.06 3.008 9.249 1 32.23 ? CG LEU A 7 1 
ATOM 17 C CD1 . LEU A 1 7 . 82.473 3.522 9.47 1 37.58 ? CD1 LEU A 7 1 
ATOM 18 C CD2 . LEU A 1 7 . 81.046 1.55 8.797 1 35.21 ? CD2 LEU A 7 1 
ATOM 19 H H . LEU A 1 7 . 78.691 3.421 12.324 1 25.1 ? H LEU A 7 1 
ATOM 20 H HA . LEU A 1 7 . 81.072 4.569 11.673 1 21.38 ? HA LEU A 7 1 
ATOM 21 H HB2 . LEU A 1 7 . 80.92 2.372 11.123 1 26.25 ? HB2 LEU A 7 1 
ATOM 22 H HB3 . LEU A 1 7 . 79.522 2.595 10.433 1 26.25 ? HB3 LEU A 7 1 
ATOM 23 H HG . LEU A 1 7 . 80.58 3.57 8.621 1 38.68 ? HG LEU A 7 1 
ATOM 24 H HD11 . LEU A 1 7 . 82.428 4.412 9.854 1 45.1 ? HD11 LEU A 7 1 
ATOM 25 H HD12 . LEU A 1 7 . 82.935 2.922 10.076 1 45.1 ? HD12 LEU A 7 1 
ATOM 26 H HD13 . LEU A 1 7 . 82.934 3.552 8.618 1 45.1 ? HD13 LEU A 7 1 
ATOM 27 H HD21 . LEU A 1 7 . 81.536 1.015 9.441 1 42.25 ? HD21 LEU A 7 1 
ATOM 28 H HD22 . LEU A 1 7 . 80.127 1.245 8.744 1 42.25 ? HD22 LEU A 7 1 
ATOM 29 H HD23 . LEU A 1 7 . 81.466 1.486 7.925 1 42.25 ? HD23 LEU A 7 1 
ATOM 30 N N . GLN A 1 8 . 78.236 5.251 10.413 1 14.65 ? N GLN A 8 1 
ATOM 31 C CA . GLN A 1 8 . 77.512 6.182 9.586 1 13.73 ? CA GLN A 8 1 
ATOM 32 C C . GLN A 1 8 . 77.71 7.635 10.077 1 13.27 ? C GLN A 8 1 
ATOM 33 O O . GLN A 1 8 . 77.963 8.525 9.3 1 13.98 ? O GLN A 8 1 
ATOM 34 C CB . GLN A 1 8 . 76.026 5.823 9.619 1 13.51 ? CB GLN A 8 1 
ATOM 35 C CG . GLN A 1 8 . 75.215 6.763 8.747 1 13.39 ? CG GLN A 8 1 
ATOM 36 C CD . GLN A 1 8 . 73.709 6.592 8.828 1 13.61 ? CD GLN A 8 1 
ATOM 37 O OE1 . GLN A 1 8 . 72.988 7.365 8.181 1 13.58 ? OE1 GLN A 8 1 
ATOM 38 N NE2 . GLN A 1 8 . 73.225 5.614 9.561 1 14.77 ? NE2 GLN A 8 1 
ATOM 39 H H . GLN A 1 8 . 77.737 4.665 10.796 1 17.59 ? H GLN A 8 1 
ATOM 40 H HA . GLN A 1 8 . 77.826 6.118 8.67 1 16.47 ? HA GLN A 8 1 
ATOM 41 H HB2 . GLN A 1 8 . 75.906 4.92 9.287 1 16.22 ? HB2 GLN A 8 1 
ATOM 42 H HB3 . GLN A 1 8 . 75.7 5.894 10.53 1 16.22 ? HB3 GLN A 8 1 
ATOM 43 H HG2 . GLN A 1 8 . 75.418 7.675 9.008 1 16.06 ? HG2 GLN A 8 1 
ATOM 44 H HG3 . GLN A 1 8 . 75.475 6.625 7.823 1 16.06 ? HG3 GLN A 8 1 
ATOM 45 H HE21 . GLN A 1 8 . 72.374 5.501 9.619 1 17.72 ? HE21 GLN A 8 1 
ATOM 46 H HE22 . GLN A 1 8 . 73.759 5.088 9.982 1 17.72 ? HE22 GLN A 8 1 
ATOM 47 N N . ASP A 1 9 . 77.495 7.856 11.364 1 14.81 ? N ASP A 9 1 
ATOM 48 C CA . ASP A 1 9 . 77.582 9.209 11.898 1 16.02 ? CA ASP A 9 1 
ATOM 49 C C . ASP A 1 9 . 79 9.799 11.74 1 15.74 ? C ASP A 9 1 
ATOM 50 O O . ASP A 1 9 . 79.11 10.899 11.214 1 16.58 ? O ASP A 9 1 
ATOM 51 C CB . ASP A 1 9 . 77.102 9.2 13.348 1 19.19 ? CB ASP A 9 1 
ATOM 52 C CG . ASP A 1 9 . 77.326 10.469 14.057 1 22.22 ? CG ASP A 9 1 
ATOM 53 O OD1 . ASP A 1 9 . 76.525 11.391 13.917 0.44 22.76 ? OD1 ASP A 9 1 
ATOM 54 O OD2 . ASP A 1 9 . 78.302 10.562 14.802 0.37 21.47 ? OD2 ASP A 9 1 
ATOM 55 H H . ASP A 1 9 . 77.3 7.251 11.944 1 17.78 ? H ASP A 9 1 
ATOM 56 H HA . ASP A 1 9 . 76.976 9.776 11.395 1 19.23 ? HA ASP A 9 1 
ATOM 57 H HB2 . ASP A 1 9 . 76.149 9.018 13.36 1 23.02 ? HB2 ASP A 9 1 
ATOM 58 H HB3 . ASP A 1 9 . 77.575 8.503 13.829 1 23.02 ? HB3 ASP A 9 1 
ATOM 59 N N . PRO A 1 10 . 80.077 9.087 12.119 1 16.43 ? N PRO A 10 1 
ATOM 60 C CA A PRO A 1 10 . 81.373 9.747 11.885 0.94 18.58 ? CA PRO A 10 1 
ATOM 61 C CA B PRO A 1 10 . 81.383 9.718 11.887 0.06 16.46 ? CA PRO A 10 1 
ATOM 62 C C . PRO A 1 10 . 81.697 9.954 10.401 1 16.76 ? C PRO A 10 1 
ATOM 63 O O . PRO A 1 10 . 82.367 10.924 10.077 1 16.14 ? O PRO A 10 1 
ATOM 64 C CB A PRO A 1 10 . 82.389 8.834 12.604 0.94 22.9 ? CB PRO A 10 1 
ATOM 65 C CB B PRO A 1 10 . 82.375 8.735 12.525 0.06 16.72 ? CB PRO A 10 1 
ATOM 66 C CG A PRO A 1 10 . 81.635 7.639 12.938 0.94 22.9 ? CG PRO A 10 1 
ATOM 67 C CG B PRO A 1 10 . 81.603 7.485 12.768 0.06 16.67 ? CG PRO A 10 1 
ATOM 68 C CD A PRO A 1 10 . 80.191 7.916 12.988 0.94 18.61 ? CD PRO A 10 1 
ATOM 69 C CD B PRO A 1 10 . 80.178 7.869 12.934 0.06 15.79 ? CD PRO A 10 1 
ATOM 70 H HA A PRO A 1 10 . 81.377 10.613 12.322 0.94 22.3 ? HA PRO A 10 1 
ATOM 71 H HA B PRO A 1 10 . 81.43 10.565 12.357 0.06 19.75 ? HA PRO A 10 1 
ATOM 72 H HB2 A PRO A 1 10 . 83.123 8.622 12.005 0.94 27.48 ? HB2 PRO A 10 1 
ATOM 73 H HB2 B PRO A 1 10 . 83.109 8.569 11.912 0.06 20.07 ? HB2 PRO A 10 1 
ATOM 74 H HB3 A PRO A 1 10 . 82.714 9.272 13.407 0.94 27.48 ? HB3 PRO A 10 1 
ATOM 75 H HB3 B PRO A 1 10 . 82.704 9.101 13.36 0.06 20.07 ? HB3 PRO A 10 1 
ATOM 76 H HG2 A PRO A 1 10 . 81.812 6.964 12.264 0.94 27.48 ? HG2 PRO A 10 1 
ATOM 77 H HG2 B PRO A 1 10 . 81.705 6.892 12.008 0.06 20 ? HG2 PRO A 10 1 
ATOM 78 H HG3 A PRO A 1 10 . 81.934 7.318 13.804 0.94 27.48 ? HG3 PRO A 10 1 
ATOM 79 H HG3 B PRO A 1 10 . 81.932 7.057 13.575 0.06 20 ? HG3 PRO A 10 1 
ATOM 80 H HD2 A PRO A 1 10 . 79.686 7.171 12.626 0.94 22.33 ? HD2 PRO A 10 1 
ATOM 81 H HD2 B PRO A 1 10 . 79.597 7.176 12.584 0.06 18.94 ? HD2 PRO A 10 1 
ATOM 82 H HD3 A PRO A 1 10 . 79.915 8.133 13.893 0.94 22.33 ? HD3 PRO A 10 1 
ATOM 83 H HD3 B PRO A 1 10 . 79.984 8.064 13.864 0.06 18.94 ? HD3 PRO A 10 1 
ATOM 84 N N . PHE A 1 11 . 81.223 9.084 9.51 1 15.25 ? N PHE A 11 1 
ATOM 85 C CA . PHE A 1 11 . 81.478 9.257 8.09 1 14.68 ? CA PHE A 11 1 
ATOM 86 C C . PHE A 1 11 . 80.771 10.5 7.59 1 13.41 ? C PHE A 11 1 
ATOM 87 O O . PHE A 1 11 . 81.35 11.345 6.932 1 14.32 ? O PHE A 11 1 
ATOM 88 C CB . PHE A 1 11 . 81.03 7.998 7.33 1 14.91 ? CB PHE A 11 1 
ATOM 89 C CG . PHE A 1 11 . 81.486 7.982 5.919 1 15.72 ? CG PHE A 11 1 
ATOM 90 C CD1 . PHE A 1 11 . 82.834 7.698 5.61 1 20.17 ? CD1 PHE A 11 1 
ATOM 91 C CD2 . PHE A 1 11 . 80.601 8.192 4.88 1 16.55 ? CD2 PHE A 11 1 
ATOM 92 C CE1 . PHE A 1 11 . 83.255 7.629 4.29 1 21.93 ? CE1 PHE A 11 1 
ATOM 93 C CE2 . PHE A 1 11 . 81.036 8.12 3.501 1 18.03 ? CE2 PHE A 11 1 
ATOM 94 C CZ . PHE A 1 11 . 82.357 7.83 3.265 1 19.5 ? CZ PHE A 11 1 
ATOM 95 H H . PHE A 1 11 . 80.754 8.391 9.705 1 18.3 ? H PHE A 11 1 
ATOM 96 H HA . PHE A 1 11 . 82.43 9.373 7.949 1 17.62 ? HA PHE A 11 1 
ATOM 97 H HB2 . PHE A 1 11 . 81.395 7.216 7.772 1 17.89 ? HB2 PHE A 11 1 
ATOM 98 H HB3 . PHE A 1 11 . 80.06 7.957 7.332 1 17.89 ? HB3 PHE A 11 1 
ATOM 99 H HD1 . PHE A 1 11 . 83.441 7.54 6.297 1 24.2 ? HD1 PHE A 11 1 
ATOM 100 H HD2 . PHE A 1 11 . 79.707 8.364 5.069 1 19.85 ? HD2 PHE A 11 1 
ATOM 101 H HE1 . PHE A 1 11 . 84.145 7.445 4.097 1 26.31 ? HE1 PHE A 11 1 
ATOM 102 H HE2 . PHE A 1 11 . 80.441 8.264 2.8 1 21.64 ? HE2 PHE A 11 1 
ATOM 103 H HZ . PHE A 1 11 . 82.662 7.802 2.387 1 23.41 ? HZ PHE A 11 1 
ATOM 104 N N . LEU A 1 12 . 79.469 10.586 7.851 1 13.43 ? N LEU A 12 1 
ATOM 105 C CA . LEU A 1 12 . 78.721 11.78 7.436 1 13.5 ? CA LEU A 12 1 
ATOM 106 C C . LEU A 1 12 . 79.259 13.032 8.093 1 13.15 ? C LEU A 12 1 
ATOM 107 O O . LEU A 1 12 . 79.323 14.096 7.429 1 14.08 ? O LEU A 12 1 
ATOM 108 C CB . LEU A 1 12 . 77.23 11.612 7.747 1 14.18 ? CB LEU A 12 1 
ATOM 109 C CG . LEU A 1 12 . 76.505 10.533 6.918 1 13.82 ? CG LEU A 12 1 
ATOM 110 C CD1 . LEU A 1 12 . 75.094 10.435 7.351 1 15.22 ? CD1 LEU A 12 1 
ATOM 111 C CD2 . LEU A 1 12 . 76.62 10.783 5.39 1 16.44 ? CD2 LEU A 12 1 
ATOM 112 H H . LEU A 1 12 . 79.003 9.987 8.255 1 16.12 ? H LEU A 12 1 
ATOM 113 H HA . LEU A 1 12 . 78.813 11.888 6.476 1 16.2 ? HA LEU A 12 1 
ATOM 114 H HB2 . LEU A 1 12 . 77.136 11.373 8.682 1 17.01 ? HB2 LEU A 12 1 
ATOM 115 H HB3 . LEU A 1 12 . 76.783 12.457 7.581 1 17.01 ? HB3 LEU A 12 1 
ATOM 116 H HG . LEU A 1 12 . 76.922 9.677 7.101 1 16.58 ? HG LEU A 12 1 
ATOM 117 H HD11 . LEU A 1 12 . 75.069 10.195 8.29 1 18.26 ? HD11 LEU A 12 1 
ATOM 118 H HD12 . LEU A 1 12 . 74.663 11.293 7.216 1 18.26 ? HD12 LEU A 12 1 
ATOM 119 H HD13 . LEU A 1 12 . 74.649 9.754 6.822 1 18.26 ? HD13 LEU A 12 1 
ATOM 120 H HD21 . LEU A 1 12 . 77.557 10.78 5.139 1 19.72 ? HD21 LEU A 12 1 
ATOM 121 H HD22 . LEU A 1 12 . 76.148 10.079 4.919 1 19.72 ? HD22 LEU A 12 1 
ATOM 122 H HD23 . LEU A 1 12 . 76.224 11.644 5.181 1 19.72 ? HD23 LEU A 12 1 
ATOM 123 N N . ASN A 1 13 . 79.638 12.949 9.35 1 13.9 ? N ASN A 13 1 
ATOM 124 C CA . ASN A 1 13 . 80.185 14.141 9.986 1 14.79 ? CA ASN A 13 1 
ATOM 125 C C . ASN A 1 13 . 81.496 14.579 9.394 1 14.44 ? C ASN A 13 1 
ATOM 126 O O . ASN A 1 13 . 81.743 15.775 9.304 1 14.98 ? O ASN A 13 1 
ATOM 127 C CB . ASN A 1 13 . 80.323 13.887 11.47 1 17.66 ? CB ASN A 13 1 
ATOM 128 C CG . ASN A 1 13 . 80.372 15.144 12.234 1 28.36 ? CG ASN A 13 1 
ATOM 129 O OD1 . ASN A 1 13 . 79.458 15.958 12.128 1 31.7 ? OD1 ASN A 13 1 
ATOM 130 N ND2 . ASN A 1 13 . 81.445 15.33 13.006 1 31.96 ? ND2 ASN A 13 1 
ATOM 131 H H . ASN A 1 13 . 79.596 12.247 9.846 1 16.68 ? H ASN A 13 1 
ATOM 132 H HA . ASN A 1 13 . 79.555 14.869 9.871 1 17.75 ? HA ASN A 13 1 
ATOM 133 H HB2 . ASN A 1 13 . 79.561 13.374 11.779 1 21.19 ? HB2 ASN A 13 1 
ATOM 134 H HB3 . ASN A 1 13 . 81.145 13.399 11.636 1 21.19 ? HB3 ASN A 13 1 
ATOM 135 H HD21 . ASN A 1 13 . 81.52 16.049 13.472 1 38.35 ? HD21 ASN A 13 1 
ATOM 136 H HD22 . ASN A 1 13 . 82.061 14.73 13.038 1 38.35 ? HD22 ASN A 13 1 
ATOM 137 N N . ALA A 1 14 . 82.329 13.638 8.967 1 14.72 ? N ALA A 14 1 
ATOM 138 C CA . ALA A 1 14 . 83.58 13.995 8.339 1 15.49 ? CA ALA A 14 1 
ATOM 139 C C . ALA A 1 14 . 83.294 14.712 7.013 1 14.26 ? C ALA A 14 1 
ATOM 140 O O . ALA A 1 14 . 83.931 15.724 6.706 1 15.89 ? O ALA A 14 1 
ATOM 141 C CB . ALA A 1 14 . 84.428 12.77 8.146 1 16.6 ? CB ALA A 14 1 
ATOM 142 H H . ALA A 1 14 . 82.189 12.792 9.032 1 17.66 ? H ALA A 14 1 
ATOM 143 H HA . ALA A 1 14 . 84.062 14.608 8.916 1 18.59 ? HA ALA A 14 1 
ATOM 144 H HB1 . ALA A 1 14 . 84.604 12.369 9.012 1 19.93 ? HB1 ALA A 14 1 
ATOM 145 H HB2 . ALA A 1 14 . 83.951 12.142 7.581 1 19.93 ? HB2 ALA A 14 1 
ATOM 146 H HB3 . ALA A 1 14 . 85.262 13.028 7.724 1 19.93 ? HB3 ALA A 14 1 
ATOM 147 N N . LEU A 1 15 . 82.355 14.201 6.23 1 14.03 ? N LEU A 15 1 
ATOM 148 C CA . LEU A 1 15 . 82.019 14.833 4.986 1 14.69 ? CA LEU A 15 1 
ATOM 149 C C . LEU A 1 15 . 81.495 16.216 5.212 1 14.5 ? C LEU A 15 1 
ATOM 150 O O . LEU A 1 15 . 81.82 17.157 4.461 1 14.99 ? O LEU A 15 1 
ATOM 151 C CB . LEU A 1 15 . 80.995 13.988 4.23 1 15.47 ? CB LEU A 15 1 
ATOM 152 C CG . LEU A 1 15 . 81.555 12.662 3.744 1 17.7 ? CG LEU A 15 1 
ATOM 153 C CD1 . LEU A 1 15 . 80.401 11.77 3.262 1 19.38 ? CD1 LEU A 15 1 
ATOM 154 C CD2 . LEU A 1 15 . 82.634 12.82 2.657 1 20.36 ? CD2 LEU A 15 1 
ATOM 155 H H . LEU A 1 15 . 81.902 13.491 6.404 1 16.84 ? H LEU A 15 1 
ATOM 156 H HA . LEU A 1 15 . 82.817 14.9 4.438 1 17.63 ? HA LEU A 15 1 
ATOM 157 H HB2 . LEU A 1 15 . 80.248 13.798 4.819 1 18.56 ? HB2 LEU A 15 1 
ATOM 158 H HB3 . LEU A 1 15 . 80.688 14.484 3.456 1 18.56 ? HB3 LEU A 15 1 
ATOM 159 H HG . LEU A 1 15 . 81.969 12.213 4.497 1 21.24 ? HG LEU A 15 1 
ATOM 160 H HD11 . LEU A 1 15 . 80.764 10.926 2.952 1 23.26 ? HD11 LEU A 15 1 
ATOM 161 H HD12 . LEU A 1 15 . 79.791 11.618 4 1 23.26 ? HD12 LEU A 15 1 
ATOM 162 H HD13 . LEU A 1 15 . 79.939 12.218 2.536 1 23.26 ? HD13 LEU A 15 1 
ATOM 163 H HD21 . LEU A 1 15 . 82.947 11.94 2.393 1 24.43 ? HD21 LEU A 15 1 
ATOM 164 H HD22 . LEU A 1 15 . 82.249 13.277 1.894 1 24.43 ? HD22 LEU A 15 1 
ATOM 165 H HD23 . LEU A 1 15 . 83.371 13.338 3.017 1 24.43 ? HD23 LEU A 15 1 
ATOM 166 N N . ARG A 1 16 . 80.64 16.386 6.207 1 13.56 ? N ARG A 16 1 
ATOM 167 C CA . ARG A 1 16 . 80.074 17.692 6.531 1 14 ? CA ARG A 16 1 
ATOM 168 C C . ARG A 1 16 . 81.166 18.627 6.993 1 14.32 ? C ARG A 16 1 
ATOM 169 O O . ARG A 1 16 . 81.281 19.765 6.492 1 16.03 ? O ARG A 16 1 
ATOM 170 C CB . ARG A 1 16 . 79.046 17.498 7.656 1 14.94 ? CB ARG A 16 1 
ATOM 171 C CG . ARG A 1 16 . 78.41 18.778 8.068 1 17.06 ? CG ARG A 16 1 
ATOM 172 C CD . ARG A 1 16 . 77.59 18.626 9.348 1 20.14 ? CD ARG A 16 1 
ATOM 173 N NE . ARG A 1 16 . 78.476 18.304 10.476 1 27.12 ? NE ARG A 16 1 
ATOM 174 C CZ . ARG A 1 16 . 79.316 19.166 11.039 1 37.34 ? CZ ARG A 16 1 
ATOM 175 N NH1 . ARG A 1 16 . 79.34 20.445 10.642 1 39.8 ? NH1 ARG A 16 1 
ATOM 176 N NH2 . ARG A 1 16 . 80.104 18.773 12.033 1 40.18 ? NH2 ARG A 16 1 
ATOM 177 H H . ARG A 1 16 . 80.365 15.752 6.719 1 16.27 ? H ARG A 16 1 
ATOM 178 H HA . ARG A 1 16 . 79.633 18.071 5.755 1 16.8 ? HA ARG A 16 1 
ATOM 179 H HB2 . ARG A 1 16 . 78.347 16.9 7.347 1 17.92 ? HB2 ARG A 16 1 
ATOM 180 H HB3 . ARG A 1 16 . 79.49 17.119 8.43 1 17.92 ? HB3 ARG A 16 1 
ATOM 181 H HG2 . ARG A 1 16 . 79.101 19.439 8.228 1 20.47 ? HG2 ARG A 16 1 
ATOM 182 H HG3 . ARG A 1 16 . 77.816 19.08 7.363 1 20.47 ? HG3 ARG A 16 1 
ATOM 183 H HD2 . ARG A 1 16 . 77.134 19.46 9.542 1 24.17 ? HD2 ARG A 16 1 
ATOM 184 H HD3 . ARG A 1 16 . 76.952 17.904 9.241 1 24.17 ? HD3 ARG A 16 1 
ATOM 185 H HE . ARG A 1 16 . 78.449 17.505 10.792 1 32.55 ? HE ARG A 16 1 
ATOM 186 H HH11 . ARG A 1 16 . 78.837 20.704 9.994 1 47.76 ? HH11 ARG A 16 1 
ATOM 187 H HH12 . ARG A 1 16 . 79.877 21.002 11.018 1 47.76 ? HH12 ARG A 16 1 
ATOM 188 H HH21 . ARG A 1 16 . 80.081 17.957 12.303 1 48.21 ? HH21 ARG A 16 1 
ATOM 189 H HH22 . ARG A 1 16 . 80.629 19.338 12.415 1 48.21 ? HH22 ARG A 16 1 
ATOM 190 N N . ARG A 1 17 . 81.984 18.226 7.965 1 15.46 ? N ARG A 17 1 
ATOM 191 C CA . ARG A 1 17 . 82.99 19.082 8.539 1 18.16 ? CA ARG A 17 1 
ATOM 192 C C . ARG A 1 17 . 84.009 19.525 7.479 1 18.03 ? C ARG A 17 1 
ATOM 193 O O . ARG A 1 17 . 84.433 20.687 7.429 1 19.82 ? O ARG A 17 1 
ATOM 194 C CB . ARG A 1 17 . 83.704 18.304 9.65 1 22.42 ? CB ARG A 17 1 
ATOM 195 C CG . ARG A 1 17 . 84.878 19.021 10.307 1 31.87 ? CG ARG A 17 1 
ATOM 196 C CD . ARG A 1 17 . 85.635 18.073 11.237 1 40.81 ? CD ARG A 17 1 
ATOM 197 N NE . ARG A 1 17 . 86.377 17.048 10.501 1 50.12 ? NE ARG A 17 1 
ATOM 198 C CZ . ARG A 1 17 . 86.185 15.73 10.617 1 55.05 ? CZ ARG A 17 1 
ATOM 199 N NH1 . ARG A 1 17 . 85.278 15.231 11.462 1 53.28 ? NH1 ARG A 17 1 
ATOM 200 N NH2 . ARG A 1 17 . 86.919 14.894 9.883 1 58.26 ? NH2 ARG A 17 1 
ATOM 201 H H . ARG A 1 17 . 81.967 17.438 8.31 1 18.56 ? H ARG A 17 1 
ATOM 202 H HA . ARG A 1 17 . 82.574 19.87 8.923 1 21.79 ? HA ARG A 17 1 
ATOM 203 H HB2 . ARG A 1 17 . 83.059 18.105 10.347 1 26.91 ? HB2 ARG A 17 1 
ATOM 204 H HB3 . ARG A 1 17 . 84.042 17.476 9.275 1 26.91 ? HB3 ARG A 17 1 
ATOM 205 H HG2 . ARG A 1 17 . 85.49 19.332 9.622 1 38.25 ? HG2 ARG A 17 1 
ATOM 206 H HG3 . ARG A 1 17 . 84.548 19.767 10.831 1 38.25 ? HG3 ARG A 17 1 
ATOM 207 H HD2 . ARG A 1 17 . 86.27 18.585 11.763 1 48.97 ? HD2 ARG A 17 1 
ATOM 208 H HD3 . ARG A 1 17 . 85.002 17.627 11.82 1 48.97 ? HD3 ARG A 17 1 
ATOM 209 H HE . ARG A 1 17 . 86.983 17.314 9.951 1 60.14 ? HE ARG A 17 1 
ATOM 210 H HH11 . ARG A 1 17 . 84.797 15.761 11.939 1 63.94 ? HH11 ARG A 17 1 
ATOM 211 H HH12 . ARG A 1 17 . 85.171 14.38 11.524 1 63.94 ? HH12 ARG A 17 1 
ATOM 212 H HH21 . ARG A 1 17 . 87.509 15.204 9.339 1 69.91 ? HH21 ARG A 17 1 
ATOM 213 H HH22 . ARG A 1 17 . 86.806 14.045 9.957 1 69.91 ? HH22 ARG A 17 1 
ATOM 214 N N . GLU A 1 18 . 84.415 18.599 6.633 1 17.94 ? N GLU A 18 1 
ATOM 215 C CA . GLU A 1 18 . 85.431 18.901 5.617 1 21.59 ? CA GLU A 18 1 
ATOM 216 C C . GLU A 1 18 . 84.892 19.537 4.33 1 30.17 ? C GLU A 18 1 
ATOM 217 O O . GLU A 1 18 . 85.657 19.938 3.423 1 21.22 ? O GLU A 18 1 
ATOM 218 C CB . GLU A 1 18 . 86.271 17.638 5.318 1 26.66 ? CB GLU A 18 1 
ATOM 219 C CG . GLU A 1 18 . 86.919 17.016 6.601 1 31.03 ? CG GLU A 18 1 
ATOM 220 C CD . GLU A 1 18 . 88.351 16.552 6.443 1 34.78 ? CD GLU A 18 1 
ATOM 221 O OE1 . GLU A 1 18 . 88.941 16.185 7.475 0.28 34.49 ? OE1 GLU A 18 1 
ATOM 222 O OE2 . GLU A 1 18 . 88.874 16.535 5.313 0.52 37.51 ? OE2 GLU A 18 1 
ATOM 223 H H . GLU A 1 18 . 84.126 17.789 6.617 1 21.53 ? H GLU A 18 1 
ATOM 224 H HA . GLU A 1 18 . 86.04 19.549 6.004 1 25.9 ? HA GLU A 18 1 
ATOM 225 H HB2 . GLU A 1 18 . 85.698 16.967 4.916 1 32 ? HB2 GLU A 18 1 
ATOM 226 H HB3 . GLU A 1 18 . 86.986 17.873 4.706 1 32 ? HB3 GLU A 18 1 
ATOM 227 H HG2 . GLU A 1 18 . 86.904 17.681 7.306 1 37.23 ? HG2 GLU A 18 1 
ATOM 228 H HG3 . GLU A 1 18 . 86.391 16.247 6.869 1 37.23 ? HG3 GLU A 18 1 
ATOM 229 N N . ARG A 1 19 . 83.56 19.638 4.285 1 53.47 ? N ARG A 19 1 
ATOM 230 C CA . ARG A 1 19 . 82.857 20.284 3.183 1 57.88 ? CA ARG A 19 1 
ATOM 231 C C . ARG A 1 19 . 83.195 19.624 1.859 1 20.77 ? C ARG A 19 1 
ATOM 232 O O . ARG A 1 19 . 83.222 20.248 0.805 1 17.23 ? O ARG A 19 1 
ATOM 233 C CB . ARG A 1 19 . 83.164 21.772 3.159 1 42.32 ? CB ARG A 19 1 
ATOM 234 C CG . ARG A 1 19 . 82.754 22.461 4.453 1 28.97 ? CG ARG A 19 1 
ATOM 235 C CD . ARG A 1 19 . 83.146 23.909 4.447 1 28.43 ? CD ARG A 19 1 
ATOM 236 N NE . ARG A 1 19 . 82.807 24.544 5.72 1 31.43 ? NE ARG A 19 1 
ATOM 237 C CZ . ARG A 1 19 . 81.998 25.596 5.839 1 36.91 ? CZ ARG A 19 1 
ATOM 238 N NH1 . ARG A 1 19 . 81.425 26.126 4.766 1 38.29 ? NH1 ARG A 19 1 
ATOM 239 N NH2 . ARG A 1 19 . 81.769 26.109 7.034 1 38.48 ? NH2 ARG A 19 1 
ATOM 240 H H . ARG A 1 19 . 83.036 19.333 4.895 1 64.16 ? H ARG A 19 1 
ATOM 241 H HA . ARG A 1 19 . 81.903 20.184 3.325 1 69.45 ? HA ARG A 19 1 
ATOM 242 H HB2 . ARG A 1 19 . 84.118 21.899 3.038 1 50.78 ? HB2 ARG A 19 1 
ATOM 243 H HB3 . ARG A 1 19 . 82.677 22.186 2.429 1 50.78 ? HB3 ARG A 19 1 
ATOM 244 H HG2 . ARG A 1 19 . 81.791 22.407 4.554 1 34.77 ? HG2 ARG A 19 1 
ATOM 245 H HG3 . ARG A 1 19 . 83.196 22.029 5.2 1 34.77 ? HG3 ARG A 19 1 
ATOM 246 H HD2 . ARG A 1 19 . 84.104 23.984 4.313 1 34.11 ? HD2 ARG A 19 1 
ATOM 247 H HD3 . ARG A 1 19 . 82.669 24.369 3.739 1 34.11 ? HD3 ARG A 19 1 
ATOM 248 H HE . ARG A 1 19 . 83.183 24.242 6.432 1 37.71 ? HE ARG A 19 1 
ATOM 249 H HH11 . ARG A 1 19 . 81.579 25.794 3.988 1 45.94 ? HH11 ARG A 19 1 
ATOM 250 H HH12 . ARG A 1 19 . 80.901 26.804 4.848 1 45.94 ? HH12 ARG A 19 1 
ATOM 251 H HH21 . ARG A 1 19 . 82.138 25.761 7.728 1 46.18 ? HH21 ARG A 19 1 
ATOM 252 H HH22 . ARG A 1 19 . 81.242 26.783 7.119 1 46.18 ? HH22 ARG A 19 1 
ATOM 253 N N . VAL A 1 20 . 83.308 18.286 1.918 1 16.45 ? N VAL A 20 1 
ATOM 254 C CA . VAL A 1 20 . 83.717 17.538 0.757 1 16.99 ? CA VAL A 20 1 
ATOM 255 C C . VAL A 1 20 . 82.542 17.405 -0.224 1 15.76 ? C VAL A 20 1 
ATOM 256 O O . VAL A 1 20 . 81.473 16.95 0.174 1 17.74 ? O VAL A 20 1 
ATOM 257 C CB . VAL A 1 20 . 84.205 16.137 1.196 1 20.14 ? CB VAL A 20 1 
ATOM 258 C CG1 . VAL A 1 20 . 84.571 15.278 0.02 1 20.23 ? CG1 VAL A 20 1 
ATOM 259 C CG2 . VAL A 1 20 . 85.344 16.293 2.151 1 24.49 ? CG2 VAL A 20 1 
ATOM 260 H H . VAL A 1 20 . 83.152 17.809 2.616 1 19.73 ? H VAL A 20 1 
ATOM 261 H HA . VAL A 1 20 . 84.445 17.997 0.31 1 20.39 ? HA VAL A 20 1 
ATOM 262 H HB . VAL A 1 20 . 83.485 15.693 1.67 1 24.16 ? HB VAL A 20 1 
ATOM 263 H HG11 . VAL A 1 20 . 84.87 14.413 0.342 1 24.27 ? HG11 VAL A 20 1 
ATOM 264 H HG12 . VAL A 1 20 . 83.79 15.169 -0.545 1 24.27 ? HG12 VAL A 20 1 
ATOM 265 H HG13 . VAL A 1 20 . 85.282 15.71 -0.477 1 24.27 ? HG13 VAL A 20 1 
ATOM 266 H HG21 . VAL A 1 20 . 85.649 15.414 2.425 1 29.39 ? HG21 VAL A 20 1 
ATOM 267 H HG22 . VAL A 1 20 . 86.064 16.77 1.708 1 29.39 ? HG22 VAL A 20 1 
ATOM 268 H HG23 . VAL A 1 20 . 85.041 16.795 2.924 1 29.39 ? HG23 VAL A 20 1 
ATOM 269 N N . PRO A 1 21 . 82.713 17.734 -1.494 1 15.57 ? N PRO A 21 1 
ATOM 270 C CA . PRO A 1 21 . 81.637 17.455 -2.465 1 15.95 ? CA PRO A 21 1 
ATOM 271 C C . PRO A 1 21 . 81.332 15.973 -2.486 1 14.66 ? C PRO A 21 1 
ATOM 272 O O . PRO A 1 21 . 82.282 15.153 -2.457 1 15.54 ? O PRO A 21 1 
ATOM 273 C CB . PRO A 1 21 . 82.195 17.953 -3.797 1 18.43 ? CB PRO A 21 1 
ATOM 274 C CG . PRO A 1 21 . 83.187 19.034 -3.38 1 20.03 ? CG PRO A 21 1 
ATOM 275 C CD . PRO A 1 21 . 83.832 18.454 -2.109 1 17.26 ? CD PRO A 21 1 
ATOM 276 H HA . PRO A 1 21 . 80.835 17.952 -2.24 1 19.14 ? HA PRO A 21 1 
ATOM 277 H HB2 . PRO A 1 21 . 82.644 17.229 -4.26 1 22.11 ? HB2 PRO A 21 1 
ATOM 278 H HB3 . PRO A 1 21 . 81.481 18.326 -4.337 1 22.11 ? HB3 PRO A 21 1 
ATOM 279 H HG2 . PRO A 1 21 . 83.848 19.164 -4.078 1 24.03 ? HG2 PRO A 21 1 
ATOM 280 H HG3 . PRO A 1 21 . 82.716 19.859 -3.186 1 24.03 ? HG3 PRO A 21 1 
ATOM 281 H HD2 . PRO A 1 21 . 84.548 17.841 -2.338 1 20.71 ? HD2 PRO A 21 1 
ATOM 282 H HD3 . PRO A 1 21 . 84.141 19.166 -1.527 1 20.71 ? HD3 PRO A 21 1 
ATOM 283 N N . VAL A 1 22 . 80.062 15.607 -2.504 1 13.99 ? N VAL A 22 1 
ATOM 284 C CA . VAL A 1 22 . 79.669 14.221 -2.537 1 13.76 ? CA VAL A 22 1 
ATOM 285 C C . VAL A 1 22 . 78.655 14.01 -3.624 1 13.13 ? C VAL A 22 1 
ATOM 286 O O . VAL A 1 22 . 77.972 14.939 -4.088 1 14.6 ? O VAL A 22 1 
ATOM 287 C CB . VAL A 1 22 . 79.011 13.75 -1.209 1 15.29 ? CB VAL A 22 1 
ATOM 288 C CG1 . VAL A 1 22 . 79.96 13.883 -0.034 1 17.78 ? CG1 VAL A 22 1 
ATOM 289 C CG2 . VAL A 1 22 . 77.696 14.485 -0.899 1 17.03 ? CG2 VAL A 22 1 
ATOM 290 H H . VAL A 1 22 . 79.401 16.156 -2.497 1 16.79 ? H VAL A 22 1 
ATOM 291 H HA . VAL A 1 22 . 80.442 13.663 -2.718 1 16.51 ? HA VAL A 22 1 
ATOM 292 H HB . VAL A 1 22 . 78.797 12.808 -1.297 1 18.35 ? HB VAL A 22 1 
ATOM 293 H HG11 . VAL A 1 22 . 80.805 14.242 -0.35 1 21.33 ? HG11 VAL A 22 1 
ATOM 294 H HG12 . VAL A 1 22 . 79.57 14.483 0.62 1 21.33 ? HG12 VAL A 22 1 
ATOM 295 H HG13 . VAL A 1 22 . 80.099 13.008 0.36 1 21.33 ? HG13 VAL A 22 1 
ATOM 296 H HG21 . VAL A 1 22 . 77.515 15.122 -1.607 1 20.44 ? HG21 VAL A 22 1 
ATOM 297 H HG22 . VAL A 1 22 . 76.977 13.836 -0.846 1 20.44 ? HG22 VAL A 22 1 
ATOM 298 H HG23 . VAL A 1 22 . 77.786 14.948 -0.051 1 20.44 ? HG23 VAL A 22 1 
ATOM 299 N N . SER A 1 23 . 78.555 12.743 -4.005 1 13.27 ? N SER A 23 1 
ATOM 300 C CA . SER A 1 23 . 77.468 12.258 -4.839 1 13.78 ? CA SER A 23 1 
ATOM 301 C C . SER A 1 23 . 76.588 11.373 -3.956 1 12.9 ? C SER A 23 1 
ATOM 302 O O . SER A 1 23 . 77.086 10.489 -3.271 1 14.64 ? O SER A 23 1 
ATOM 303 C CB . SER A 1 23 . 77.999 11.476 -6.025 1 15.99 ? CB SER A 23 1 
ATOM 304 O OG . SER A 1 23 . 78.78 12.314 -6.852 1 18.21 ? OG SER A 23 1 
ATOM 305 H H . SER A 1 23 . 79.12 12.132 -3.788 1 15.93 ? H SER A 23 1 
ATOM 306 H HA . SER A 1 23 . 76.94 13.004 -5.164 1 16.53 ? HA SER A 23 1 
ATOM 307 H HB2 . SER A 1 23 . 78.549 10.745 -5.702 1 19.18 ? HB2 SER A 23 1 
ATOM 308 H HB3 . SER A 1 23 . 77.252 11.13 -6.538 1 19.18 ? HB3 SER A 23 1 
ATOM 309 H HG . SER A 1 23 . 79.073 11.878 -7.507 1 21.85 ? HG SER A 23 1 
ATOM 310 N N . ILE A 1 24 . 75.298 11.623 -3.989 1 12.81 ? N ILE A 24 1 
ATOM 311 C CA . ILE A 1 24 . 74.305 10.797 -3.286 1 12.89 ? CA ILE A 24 1 
ATOM 312 C C . ILE A 1 24 . 73.48 10.124 -4.359 1 12.51 ? C ILE A 24 1 
ATOM 313 O O . ILE A 1 24 . 72.76 10.78 -5.111 1 14.21 ? O ILE A 24 1 
ATOM 314 C CB . ILE A 1 24 . 73.463 11.63 -2.335 1 12.76 ? CB ILE A 24 1 
ATOM 315 C CG1 . ILE A 1 24 . 74.331 12.279 -1.261 1 15.24 ? CG1 ILE A 24 1 
ATOM 316 C CG2 . ILE A 1 24 . 72.378 10.758 -1.71 1 14.36 ? CG2 ILE A 24 1 
ATOM 317 C CD1 . ILE A 1 24 . 73.584 12.992 -0.159 1 16.6 ? CD1 ILE A 24 1 
ATOM 318 H H . ILE A 1 24 . 74.951 12.281 -4.421 1 15.37 ? H ILE A 24 1 
ATOM 319 H HA . ILE A 1 24 . 74.76 10.112 -2.772 1 15.47 ? HA ILE A 24 1 
ATOM 320 H HB . ILE A 1 24 . 73.033 12.334 -2.846 1 15.31 ? HB ILE A 24 1 
ATOM 321 H HG12 . ILE A 1 24 . 74.872 11.588 -0.846 1 18.28 ? HG12 ILE A 24 1 
ATOM 322 H HG13 . ILE A 1 24 . 74.911 12.93 -1.687 1 18.28 ? HG13 ILE A 24 1 
ATOM 323 H HG21 . ILE A 1 24 . 72.799 10.033 -1.221 1 17.23 ? HG21 ILE A 24 1 
ATOM 324 H HG22 . ILE A 1 24 . 71.848 11.301 -1.105 1 17.23 ? HG22 ILE A 24 1 
ATOM 325 H HG23 . ILE A 1 24 . 71.815 10.401 -2.414 1 17.23 ? HG23 ILE A 24 1 
ATOM 326 H HD11 . ILE A 1 24 . 73.01 12.355 0.295 1 19.92 ? HD11 ILE A 24 1 
ATOM 327 H HD12 . ILE A 1 24 . 74.225 13.365 0.466 1 19.92 ? HD12 ILE A 24 1 
ATOM 328 H HD13 . ILE A 1 24 . 73.049 13.701 -0.549 1 19.92 ? HD13 ILE A 24 1 
ATOM 329 N N . TYR A 1 25 . 73.594 8.803 -4.432 1 12.6 ? N TYR A 25 1 
ATOM 330 C CA . TYR A 1 25 . 72.844 8.02 -5.394 1 12.9 ? CA TYR A 25 1 
ATOM 331 C C . TYR A 1 25 . 71.585 7.521 -4.744 1 12.27 ? C TYR A 25 1 
ATOM 332 O O . TYR A 1 25 . 71.637 6.953 -3.661 1 16.16 ? O TYR A 25 1 
ATOM 333 C CB . TYR A 1 25 . 73.685 6.855 -5.881 1 14.57 ? CB TYR A 25 1 
ATOM 334 C CG . TYR A 1 25 . 74.897 7.315 -6.644 1 16.38 ? CG TYR A 25 1 
ATOM 335 C CD1 . TYR A 1 25 . 74.889 7.277 -8.029 1 22.07 ? CD1 TYR A 25 1 
ATOM 336 C CD2 . TYR A 1 25 . 76.078 7.641 -6.026 1 15.8 ? CD2 TYR A 25 1 
ATOM 337 C CE1 . TYR A 1 25 . 75.997 7.675 -8.772 1 22.61 ? CE1 TYR A 25 1 
ATOM 338 C CE2 . TYR A 1 25 . 77.203 8.09 -6.759 1 18.33 ? CE2 TYR A 25 1 
ATOM 339 C CZ . TYR A 1 25 . 77.134 8.119 -8.112 1 20.73 ? CZ TYR A 25 1 
ATOM 340 O OH . TYR A 1 25 . 78.219 8.527 -8.869 1 24.78 ? OH TYR A 25 1 
ATOM 341 H H . TYR A 1 25 . 74.107 8.334 -3.926 1 15.12 ? H TYR A 25 1 
ATOM 342 H HA . TYR A 1 25 . 72.606 8.573 -6.154 1 15.49 ? HA TYR A 25 1 
ATOM 343 H HB2 . TYR A 1 25 . 73.986 6.338 -5.118 1 17.49 ? HB2 TYR A 25 1 
ATOM 344 H HB3 . TYR A 1 25 . 73.149 6.301 -6.47 1 17.49 ? HB3 TYR A 25 1 
ATOM 345 H HD1 . TYR A 1 25 . 74.109 7.033 -8.472 1 26.48 ? HD1 TYR A 25 1 
ATOM 346 H HD2 . TYR A 1 25 . 76.104 7.676 -5.097 1 18.97 ? HD2 TYR A 25 1 
ATOM 347 H HE1 . TYR A 1 25 . 75.952 7.703 -9.701 1 27.13 ? HE1 TYR A 25 1 
ATOM 348 H HE2 . TYR A 1 25 . 77.977 8.359 -6.319 1 21.99 ? HE2 TYR A 25 1 
ATOM 349 H HH . TYR A 1 25 . 78.043 8.45 -9.687 1 29.74 ? HH TYR A 25 1 
ATOM 350 N N . LEU A 1 26 . 70.457 7.752 -5.357 1 12.73 ? N LEU A 26 1 
ATOM 351 C CA . LEU A 1 26 . 69.169 7.324 -4.852 1 12.91 ? CA LEU A 26 1 
ATOM 352 C C . LEU A 1 26 . 68.801 5.97 -5.375 1 12.93 ? C LEU A 26 1 
ATOM 353 O O . LEU A 1 26 . 69.267 5.51 -6.435 1 14.71 ? O LEU A 26 1 
ATOM 354 C CB . LEU A 1 26 . 68.098 8.341 -5.205 1 13.45 ? CB LEU A 26 1 
ATOM 355 C CG . LEU A 1 26 . 68.356 9.77 -4.815 1 14.26 ? CG LEU A 26 1 
ATOM 356 C CD1 . LEU A 1 26 . 67.167 10.645 -5.122 1 17.71 ? CD1 LEU A 26 1 
ATOM 357 C CD2 . LEU A 1 26 . 68.739 9.853 -3.286 1 16.44 ? CD2 LEU A 26 1 
ATOM 358 H H . LEU A 1 26 . 70.403 8.174 -6.104 1 15.27 ? H LEU A 26 1 
ATOM 359 H HA . LEU A 1 26 . 69.215 7.266 -3.885 1 15.49 ? HA LEU A 26 1 
ATOM 360 H HB2 . LEU A 1 26 . 67.974 8.326 -6.167 1 16.13 ? HB2 LEU A 26 1 
ATOM 361 H HB3 . LEU A 1 26 . 67.273 8.072 -4.773 1 16.13 ? HB3 LEU A 26 1 
ATOM 362 H HG . LEU A 1 26 . 69.109 10.103 -5.328 1 17.11 ? HG LEU A 26 1 
ATOM 363 H HD11 . LEU A 1 26 . 66.4 10.319 -4.627 1 21.26 ? HD11 LEU A 26 1 
ATOM 364 H HD12 . LEU A 1 26 . 67.369 11.556 -4.858 1 21.26 ? HD12 LEU A 26 1 
ATOM 365 H HD13 . LEU A 1 26 . 66.986 10.608 -6.075 1 21.26 ? HD13 LEU A 26 1 
ATOM 366 H HD21 . LEU A 1 26 . 68.006 9.502 -2.758 1 19.73 ? HD21 LEU A 26 1 
ATOM 367 H HD22 . LEU A 1 26 . 69.54 9.327 -3.132 1 19.73 ? HD22 LEU A 26 1 
ATOM 368 H HD23 . LEU A 1 26 . 68.902 10.78 -3.052 1 19.73 ? HD23 LEU A 26 1 
ATOM 369 N N . VAL A 1 27 . 67.94 5.297 -4.645 1 13.67 ? N VAL A 27 1 
ATOM 370 C CA . VAL A 1 27 . 67.512 3.953 -5.023 1 14.61 ? CA VAL A 27 1 
ATOM 371 C C . VAL A 1 27 . 66.827 3.958 -6.412 1 15.34 ? C VAL A 27 1 
ATOM 372 O O . VAL A 1 27 . 66.926 3.03 -7.16 1 20.22 ? O VAL A 27 1 
ATOM 373 C CB . VAL A 1 27 . 66.63 3.326 -3.943 1 15.92 ? CB VAL A 27 1 
ATOM 374 C CG1 . VAL A 1 27 . 67.434 3.103 -2.67 1 17.55 ? CG1 VAL A 27 1 
ATOM 375 C CG2 . VAL A 1 27 . 65.362 4.134 -3.654 1 20.58 ? CG2 VAL A 27 1 
ATOM 376 H H . VAL A 1 27 . 67.582 5.59 -3.92 1 16.41 ? H VAL A 27 1 
ATOM 377 H HA . VAL A 1 27 . 68.303 3.397 -5.1 1 17.53 ? HA VAL A 27 1 
ATOM 378 H HB . VAL A 1 27 . 66.345 2.454 -4.257 1 19.11 ? HB VAL A 27 1 
ATOM 379 H HG11 . VAL A 1 27 . 66.858 2.706 -1.998 1 21.06 ? HG11 VAL A 27 1 
ATOM 380 H HG12 . VAL A 1 27 . 68.174 2.508 -2.865 1 21.06 ? HG12 VAL A 27 1 
ATOM 381 H HG13 . VAL A 1 27 . 67.77 3.957 -2.355 1 21.06 ? HG13 VAL A 27 1 
ATOM 382 H HG21 . VAL A 1 27 . 64.852 3.684 -2.963 1 24.7 ? HG21 VAL A 27 1 
ATOM 383 H HG22 . VAL A 1 27 . 65.616 5.021 -3.353 1 24.7 ? HG22 VAL A 27 1 
ATOM 384 H HG23 . VAL A 1 27 . 64.837 4.198 -4.467 1 24.7 ? HG23 VAL A 27 1 
ATOM 385 N N . ASN A 1 28 . 66.238 5.045 -6.799 1 14.21 ? N ASN A 28 1 
ATOM 386 C CA . ASN A 1 28 . 65.567 5.134 -8.115 1 15.41 ? CA ASN A 28 1 
ATOM 387 C C . ASN A 1 28 . 66.49 5.531 -9.263 1 16.03 ? C ASN A 28 1 
ATOM 388 O O . ASN A 1 28 . 66.001 5.679 -10.38 1 17.78 ? O ASN A 28 1 
ATOM 389 C CB . ASN A 1 28 . 64.416 6.07 -8.047 1 16.33 ? CB ASN A 28 1 
ATOM 390 C CG . ASN A 1 28 . 64.827 7.519 -7.78 1 16.79 ? CG ASN A 28 1 
ATOM 391 O OD1 . ASN A 1 28 . 66.006 7.891 -7.871 1 16.82 ? OD1 ASN A 28 1 
ATOM 392 N ND2 . ASN A 1 28 . 63.835 8.364 -7.442 1 18.73 ? ND2 ASN A 28 1 
ATOM 393 H H . ASN A 1 28 . 66.196 5.767 -6.334 1 17.05 ? H ASN A 28 1 
ATOM 394 H HA . ASN A 1 28 . 65.21 4.258 -8.328 1 18.49 ? HA ASN A 28 1 
ATOM 395 H HB2 . ASN A 1 28 . 63.941 6.046 -8.892 1 19.6 ? HB2 ASN A 28 1 
ATOM 396 H HB3 . ASN A 1 28 . 63.826 5.79 -7.329 1 19.6 ? HB3 ASN A 28 1 
ATOM 397 H HD21 . ASN A 1 28 . 64.01 9.191 -7.281 1 22.47 ? HD21 ASN A 28 1 
ATOM 398 H HD22 . ASN A 1 28 . 63.026 8.078 -7.387 1 22.47 ? HD22 ASN A 28 1 
ATOM 399 N N . GLY A 1 29 . 67.781 5.614 -8.993 1 16.16 ? N GLY A 29 1 
ATOM 400 C CA . GLY A 1 29 . 68.764 5.815 -10.019 1 18.2 ? CA GLY A 29 1 
ATOM 401 C C . GLY A 1 29 . 69.206 7.231 -10.205 1 18.41 ? C GLY A 29 1 
ATOM 402 O O . GLY A 1 29 . 70.143 7.447 -10.933 1 22.58 ? O GLY A 29 1 
ATOM 403 H H . GLY A 1 29 . 68.112 5.555 -8.202 1 19.39 ? H GLY A 29 1 
ATOM 404 H HA2 . GLY A 1 29 . 69.549 5.284 -9.81 1 21.84 ? HA2 GLY A 29 1 
ATOM 405 H HA3 . GLY A 1 29 . 68.406 5.501 -10.863 1 21.84 ? HA3 GLY A 29 1 
ATOM 406 N N . ILE A 1 30 . 68.566 8.187 -9.545 1 16.66 ? N ILE A 30 1 
ATOM 407 C CA . ILE A 1 30 . 69 9.563 -9.634 1 16.63 ? CA ILE A 30 1 
ATOM 408 C C . ILE A 1 30 . 70.254 9.775 -8.863 1 15.78 ? C ILE A 30 1 
ATOM 409 O O . ILE A 1 30 . 70.426 9.252 -7.776 1 17.66 ? O ILE A 30 1 
ATOM 410 C CB . ILE A 1 30 . 67.901 10.452 -9.125 1 17.79 ? CB ILE A 30 1 
ATOM 411 C CG1 . ILE A 1 30 . 66.682 10.347 -10.066 1 21.3 ? CG1 ILE A 30 1 
ATOM 412 C CG2 . ILE A 1 30 . 68.359 11.885 -8.916 1 21.12 ? CG2 ILE A 30 1 
ATOM 413 C CD1 . ILE A 1 30 . 65.459 11.125 -9.633 1 24.57 ? CD1 ILE A 30 1 
ATOM 414 H H . ILE A 1 30 . 67.881 8.061 -9.041 1 19.99 ? H ILE A 30 1 
ATOM 415 H HA . ILE A 1 30 . 69.171 9.788 -10.562 1 19.96 ? HA ILE A 30 1 
ATOM 416 H HB . ILE A 1 30 . 67.629 10.108 -8.26 1 21.34 ? HB ILE A 30 1 
ATOM 417 H HG12 . ILE A 1 30 . 66.941 10.674 -10.942 1 25.56 ? HG12 ILE A 30 1 
ATOM 418 H HG13 . ILE A 1 30 . 66.425 9.414 -10.132 1 25.56 ? HG13 ILE A 30 1 
ATOM 419 H HG21 . ILE A 1 30 . 68.67 12.243 -9.762 1 25.34 ? HG21 ILE A 30 1 
ATOM 420 H HG22 . ILE A 1 30 . 67.612 12.41 -8.588 1 25.34 ? HG22 ILE A 30 1 
ATOM 421 H HG23 . ILE A 1 30 . 69.08 11.894 -8.267 1 25.34 ? HG23 ILE A 30 1 
ATOM 422 H HD11 . ILE A 1 30 . 65.171 10.802 -8.765 1 29.49 ? HD11 ILE A 30 1 
ATOM 423 H HD12 . ILE A 1 30 . 65.688 12.066 -9.577 1 29.49 ? HD12 ILE A 30 1 
ATOM 424 H HD13 . ILE A 1 30 . 64.754 10.994 -10.286 1 29.49 ? HD13 ILE A 30 1 
ATOM 425 N N . LYS A 1 31 . 71.109 10.621 -9.384 1 16.58 ? N LYS A 31 1 
ATOM 426 C CA . LYS A 1 31 . 72.32 11.09 -8.751 1 16.83 ? CA LYS A 31 1 
ATOM 427 C C . LYS A 1 31 . 72.191 12.521 -8.307 1 15.34 ? C LYS A 31 1 
ATOM 428 O O . LYS A 1 31 . 71.978 13.378 -9.165 1 19.53 ? O LYS A 31 1 
ATOM 429 C CB . LYS A 1 31 . 73.602 10.788 -9.59 1 21.62 ? CB LYS A 31 1 
ATOM 430 C CG . LYS A 1 31 . 74.857 11.42 -9.027 1 26.44 ? CG LYS A 31 1 
ATOM 431 C CD . LYS A 1 31 . 76.027 11.235 -9.988 1 31.53 ? CD LYS A 31 1 
ATOM 432 C CE . LYS A 1 31 . 76.902 12.437 -9.981 1 35.78 ? CE LYS A 31 1 
ATOM 433 N NZ . LYS A 1 31 . 78.043 12.298 -10.904 1 37.39 ? NZ LYS A 31 1 
ATOM 434 H H . LYS A 1 31 . 70.999 10.963 -10.165 1 19.89 ? H LYS A 31 1 
ATOM 435 H HA . LYS A 1 31 . 72.256 11.619 -9.562 1 20.2 ? HA LYS A 31 1 
ATOM 436 H HB2 . LYS A 1 31 . 73.739 9.828 -9.617 1 25.95 ? HB2 LYS A 31 1 
ATOM 437 H HB3 . LYS A 1 31 . 73.475 11.128 -10.489 1 25.95 ? HB3 LYS A 31 1 
ATOM 438 H HG2 . LYS A 1 31 . 74.712 12.371 -8.9 1 31.73 ? HG2 LYS A 31 1 
ATOM 439 H HG3 . LYS A 1 31 . 75.083 10.996 -8.184 1 31.73 ? HG3 LYS A 31 1 
ATOM 440 H HD2 . LYS A 1 31 . 76.554 10.469 -9.712 1 37.84 ? HD2 LYS A 31 1 
ATOM 441 H HD3 . LYS A 1 31 . 75.689 11.107 -10.888 1 37.84 ? HD3 LYS A 31 1 
ATOM 442 H HE2 . LYS A 1 31 . 76.384 13.21 -10.256 1 42.93 ? HE2 LYS A 31 1 
ATOM 443 H HE3 . LYS A 1 31 . 77.253 12.571 -9.086 1 42.93 ? HE3 LYS A 31 1 
ATOM 444 H HZ1 . LYS A 1 31 . 78.547 13.031 -10.878 1 44.87 ? HZ1 LYS A 31 1 
ATOM 445 H HZ2 . LYS A 1 31 . 78.539 11.597 -10.671 1 44.87 ? HZ2 LYS A 31 1 
ATOM 446 H HZ3 . LYS A 1 31 . 77.748 12.179 -11.736 1 44.87 ? HZ3 LYS A 31 1 
ATOM 447 N N . LEU A 1 32 . 72.336 12.794 -7.022 1 13.93 ? N LEU A 32 1 
ATOM 448 C CA . LEU A 1 32 . 72.402 14.137 -6.475 1 14.17 ? CA LEU A 32 1 
ATOM 449 C C . LEU A 1 32 . 73.866 14.493 -6.202 1 14.52 ? C LEU A 32 1 
ATOM 450 O O . LEU A 1 32 . 74.661 13.607 -5.896 1 16.03 ? O LEU A 32 1 
ATOM 451 C CB . LEU A 1 32 . 71.609 14.243 -5.174 1 14.68 ? CB LEU A 32 1 
ATOM 452 C CG . LEU A 1 32 . 70.182 13.725 -5.178 1 15.54 ? CG LEU A 32 1 
ATOM 453 C CD1 . LEU A 1 32 . 69.574 13.807 -3.801 1 16.74 ? CD1 LEU A 32 1 
ATOM 454 C CD2 . LEU A 1 32 . 69.351 14.496 -6.162 1 18.43 ? CD2 LEU A 32 1 
ATOM 455 H H . LEU A 1 32 . 72.403 12.185 -6.418 1 16.72 ? H LEU A 32 1 
ATOM 456 H HA . LEU A 1 32 . 72.04 14.77 -7.114 1 17 ? HA LEU A 32 1 
ATOM 457 H HB2 . LEU A 1 32 . 72.088 13.749 -4.49 1 17.62 ? HB2 LEU A 32 1 
ATOM 458 H HB3 . LEU A 1 32 . 71.571 15.179 -4.922 1 17.62 ? HB3 LEU A 32 1 
ATOM 459 H HG . LEU A 1 32 . 70.184 12.794 -5.451 1 18.65 ? HG LEU A 32 1 
ATOM 460 H HD11 . LEU A 1 32 . 68.665 13.47 -3.838 1 20.09 ? HD11 LEU A 32 1 
ATOM 461 H HD12 . LEU A 1 32 . 70.102 13.269 -3.191 1 20.09 ? HD12 LEU A 32 1 
ATOM 462 H HD13 . LEU A 1 32 . 69.572 14.732 -3.512 1 20.09 ? HD13 LEU A 32 1 
ATOM 463 H HD21 . LEU A 1 32 . 68.445 14.15 -6.149 1 22.11 ? HD21 LEU A 32 1 
ATOM 464 H HD22 . LEU A 1 32 . 69.351 15.432 -5.91 1 22.11 ? HD22 LEU A 32 1 
ATOM 465 H HD23 . LEU A 1 32 . 69.733 14.391 -7.048 1 22.11 ? HD23 LEU A 32 1 
ATOM 466 N N . GLN A 1 33 . 74.233 15.762 -6.294 1 15.66 ? N GLN A 33 1 
ATOM 467 C CA . GLN A 1 33 . 75.591 16.193 -5.963 1 16.64 ? CA GLN A 33 1 
ATOM 468 C C . GLN A 1 33 . 75.551 17.484 -5.188 1 16.08 ? C GLN A 33 1 
ATOM 469 O O . GLN A 1 33 . 74.705 18.352 -5.449 1 19.17 ? O GLN A 33 1 
ATOM 470 C CB . GLN A 1 33 . 76.388 16.406 -7.241 1 20.75 ? CB GLN A 33 1 
ATOM 471 C CG . GLN A 1 33 . 76.688 15.15 -7.932 1 25.88 ? CG GLN A 33 1 
ATOM 472 C CD . GLN A 1 33 . 77.545 15.397 -9.133 1 33.78 ? CD GLN A 33 1 
ATOM 473 O OE1 . GLN A 1 33 . 77.076 15.937 -10.127 0.5 33.88 ? OE1 GLN A 33 1 
ATOM 474 N NE2 . GLN A 1 33 . 78.825 15.033 -9.045 1 38.98 ? NE2 GLN A 33 1 
ATOM 475 H H . GLN A 1 33 . 73.715 16.4 -6.548 1 18.79 ? H GLN A 33 1 
ATOM 476 H HA . GLN A 1 33 . 76.031 15.516 -5.426 1 19.96 ? HA GLN A 33 1 
ATOM 477 H HB2 . GLN A 1 33 . 75.875 16.966 -7.844 1 24.9 ? HB2 GLN A 33 1 
ATOM 478 H HB3 . GLN A 1 33 . 77.229 16.837 -7.021 1 24.9 ? HB3 GLN A 33 1 
ATOM 479 H HG2 . GLN A 1 33 . 77.167 14.558 -7.33 1 31.06 ? HG2 GLN A 33 1 
ATOM 480 H HG3 . GLN A 1 33 . 75.861 14.737 -8.225 1 31.06 ? HG3 GLN A 33 1 
ATOM 481 H HE21 . GLN A 1 33 . 79.122 14.675 -8.322 1 46.78 ? HE21 GLN A 33 1 
ATOM 482 H HE22 . GLN A 1 33 . 79.354 15.157 -9.712 1 46.78 ? HE22 GLN A 33 1 
ATOM 483 N N . GLY A 1 34 . 76.434 17.582 -4.221 1 14.64 ? N GLY A 34 1 
ATOM 484 C CA . GLY A 1 34 . 76.536 18.795 -3.45 1 16.49 ? CA GLY A 34 1 
ATOM 485 C C . GLY A 1 34 . 77.37 18.574 -2.207 1 14.51 ? C GLY A 34 1 
ATOM 486 O O . GLY A 1 34 . 78.158 17.652 -2.134 1 17.5 ? O GLY A 34 1 
ATOM 487 H H . GLY A 1 34 . 76.985 16.963 -3.991 1 17.57 ? H GLY A 34 1 
ATOM 488 H HA2 . GLY A 1 34 . 76.95 19.49 -3.985 1 19.78 ? HA2 GLY A 34 1 
ATOM 489 H HA3 . GLY A 1 34 . 75.651 19.091 -3.184 1 19.78 ? HA3 GLY A 34 1 
ATOM 490 N N . GLN A 1 35 . 77.221 19.428 -1.236 1 14.44 ? N GLN A 35 1 
ATOM 491 C CA . GLN A 1 35 . 77.917 19.311 0.042 1 14.41 ? CA GLN A 35 1 
ATOM 492 C C . GLN A 1 35 . 76.893 19.041 1.108 1 13.95 ? C GLN A 35 1 
ATOM 493 O O . GLN A 1 35 . 75.782 19.58 1.062 1 15.12 ? O GLN A 35 1 
ATOM 494 C CB . GLN A 1 35 . 78.723 20.547 0.362 1 15.96 ? CB GLN A 35 1 
ATOM 495 C CG . GLN A 1 35 . 79.926 20.696 -0.57 1 16.96 ? CG GLN A 35 1 
ATOM 496 C CD . GLN A 1 35 . 80.399 22.143 -0.595 1 19.36 ? CD GLN A 35 1 
ATOM 497 O OE1 . GLN A 1 35 . 79.628 23.073 -0.967 0.58 17.85 ? OE1 GLN A 35 1 
ATOM 498 N NE2 . GLN A 1 35 . 81.621 22.391 -0.178 1 21.28 ? NE2 GLN A 35 1 
ATOM 499 H H . GLN A 1 35 . 76.705 20.114 -1.281 1 17.32 ? H GLN A 35 1 
ATOM 500 H HA . GLN A 1 35 . 78.524 18.556 0.007 1 17.3 ? HA GLN A 35 1 
ATOM 501 H HB2 . GLN A 1 35 . 78.16 21.331 0.258 1 19.15 ? HB2 GLN A 35 1 
ATOM 502 H HB3 . GLN A 1 35 . 79.051 20.488 1.273 1 19.15 ? HB3 GLN A 35 1 
ATOM 503 H HG2 . GLN A 1 35 . 80.654 20.14 -0.251 1 20.35 ? HG2 GLN A 35 1 
ATOM 504 H HG3 . GLN A 1 35 . 79.672 20.44 -1.471 1 20.35 ? HG3 GLN A 35 1 
ATOM 505 H HE21 . GLN A 1 35 . 81.92 23.198 -0.179 1 25.53 ? HE21 GLN A 35 1 
ATOM 506 H HE22 . GLN A 1 35 . 82.121 21.747 0.095 1 25.53 ? HE22 GLN A 35 1 
ATOM 507 N N . ILE A 1 36 . 77.238 18.212 2.07 1 13.51 ? N ILE A 36 1 
ATOM 508 C CA . ILE A 1 36 . 76.358 17.922 3.191 1 13.64 ? CA ILE A 36 1 
ATOM 509 C C . ILE A 1 36 . 76.384 19.078 4.138 1 13.68 ? C ILE A 36 1 
ATOM 510 O O . ILE A 1 36 . 77.43 19.341 4.74 1 17 ? O ILE A 36 1 
ATOM 511 C CB . ILE A 1 36 . 76.696 16.619 3.855 1 14.86 ? CB ILE A 36 1 
ATOM 512 C CG1 . ILE A 1 36 . 76.465 15.471 2.841 1 16.12 ? CG1 ILE A 36 1 
ATOM 513 C CG2 . ILE A 1 36 . 75.908 16.426 5.107 1 15.07 ? CG2 ILE A 36 1 
ATOM 514 C CD1 . ILE A 1 36 . 76.851 14.106 3.327 1 19.44 ? CD1 ILE A 36 1 
ATOM 515 H H . ILE A 1 36 . 77.99 17.795 2.101 1 16.21 ? H ILE A 36 1 
ATOM 516 H HA . ILE A 1 36 . 75.451 17.846 2.855 1 16.37 ? HA ILE A 36 1 
ATOM 517 H HB . ILE A 1 36 . 77.637 16.632 4.089 1 17.83 ? HB ILE A 36 1 
ATOM 518 H HG12 . ILE A 1 36 . 75.522 15.445 2.615 1 19.34 ? HG12 ILE A 36 1 
ATOM 519 H HG13 . ILE A 1 36 . 76.985 15.655 2.043 1 19.34 ? HG13 ILE A 36 1 
ATOM 520 H HG21 . ILE A 1 36 . 76.108 17.15 5.721 1 18.08 ? HG21 ILE A 36 1 
ATOM 521 H HG22 . ILE A 1 36 . 74.963 16.429 4.889 1 18.08 ? HG22 ILE A 36 1 
ATOM 522 H HG23 . ILE A 1 36 . 76.153 15.577 5.507 1 18.08 ? HG23 ILE A 36 1 
ATOM 523 H HD11 . ILE A 1 36 . 76.67 13.459 2.627 1 23.33 ? HD11 ILE A 36 1 
ATOM 524 H HD12 . ILE A 1 36 . 77.796 14.104 3.544 1 23.33 ? HD12 ILE A 36 1 
ATOM 525 H HD13 . ILE A 1 36 . 76.329 13.893 4.117 1 23.33 ? HD13 ILE A 36 1 
ATOM 526 N N . GLU A 1 37 . 75.259 19.74 4.317 1 14 ? N GLU A 37 1 
ATOM 527 C CA . GLU A 1 37 . 75.16 20.841 5.242 1 16.02 ? CA GLU A 37 1 
ATOM 528 C C . GLU A 1 37 . 74.935 20.335 6.661 1 14.83 ? C GLU A 37 1 
ATOM 529 O O . GLU A 1 37 . 75.474 20.888 7.623 1 16.69 ? O GLU A 37 1 
ATOM 530 C CB . GLU A 1 37 . 73.977 21.754 4.864 1 22.02 ? CB GLU A 37 1 
ATOM 531 C CG . GLU A 1 37 . 73.742 22.873 5.879 1 33.9 ? CG GLU A 37 1 
ATOM 532 C CD . GLU A 1 37 . 72.561 23.776 5.558 1 50.18 ? CD GLU A 37 1 
ATOM 533 O OE1 . GLU A 1 37 . 72.243 24.641 6.397 1 62.78 ? OE1 GLU A 37 1 
ATOM 534 O OE2 . GLU A 1 37 . 71.945 23.622 4.488 0.61 48.69 ? OE2 GLU A 37 1 
ATOM 535 H H . GLU A 1 37 . 74.525 19.564 3.904 1 16.8 ? H GLU A 37 1 
ATOM 536 H HA . GLU A 1 37 . 75.977 21.363 5.222 1 19.23 ? HA GLU A 37 1 
ATOM 537 H HB2 . GLU A 1 37 . 74.158 22.163 4.003 1 26.43 ? HB2 GLU A 37 1 
ATOM 538 H HB3 . GLU A 1 37 . 73.169 21.219 4.814 1 26.43 ? HB3 GLU A 37 1 
ATOM 539 H HG2 . GLU A 1 37 . 73.579 22.474 6.748 1 40.68 ? HG2 GLU A 37 1 
ATOM 540 H HG3 . GLU A 1 37 . 74.536 23.429 5.918 1 40.68 ? HG3 GLU A 37 1 
ATOM 541 N N . SER A 1 38 . 74.099 19.311 6.803 1 14.39 ? N SER A 38 1 
ATOM 542 C CA . SER A 1 38 . 73.699 18.796 8.075 1 14.93 ? CA SER A 38 1 
ATOM 543 C C . SER A 1 38 . 73 17.45 7.831 1 13.7 ? C SER A 38 1 
ATOM 544 O O . SER A 1 38 . 72.654 17.117 6.695 1 13.45 ? O SER A 38 1 
ATOM 545 C CB . SER A 1 38 . 72.766 19.723 8.835 1 18.64 ? CB SER A 38 1 
ATOM 546 O OG . SER A 1 38 . 71.71 20.056 8.033 1 24.13 ? OG SER A 38 1 
ATOM 547 H H . SER A 1 38 . 73.745 18.892 6.141 1 17.27 ? H SER A 38 1 
ATOM 548 H HA . SER A 1 38 . 74.486 18.639 8.621 1 17.91 ? HA SER A 38 1 
ATOM 549 H HB2 . SER A 1 38 . 72.437 19.269 9.626 1 22.37 ? HB2 SER A 38 1 
ATOM 550 H HB3 . SER A 1 38 . 73.247 20.528 9.083 1 22.37 ? HB3 SER A 38 1 
ATOM 551 H HG . SER A 1 38 . 71.188 20.569 8.445 1 28.96 ? HG SER A 38 1 
ATOM 552 N N . PHE A 1 39 . 72.788 16.713 8.916 1 13.66 ? N PHE A 39 1 
ATOM 553 C CA . PHE A 1 39 . 72.07 15.446 8.81 1 12.9 ? CA PHE A 39 1 
ATOM 554 C C . PHE A 1 39 . 71.533 15.127 10.192 1 13.34 ? C PHE A 39 1 
ATOM 555 O O . PHE A 1 39 . 72.006 15.636 11.194 1 15.13 ? O PHE A 39 1 
ATOM 556 C CB . PHE A 1 39 . 72.969 14.324 8.257 1 13.35 ? CB PHE A 39 1 
ATOM 557 C CG . PHE A 1 39 . 74.12 13.997 9.142 1 13.99 ? CG PHE A 39 1 
ATOM 558 C CD1 . PHE A 1 39 . 75.301 14.747 9.04 1 15.87 ? CD1 PHE A 39 1 
ATOM 559 C CD2 . PHE A 1 39 . 74.018 12.979 10.112 1 15.48 ? CD2 PHE A 39 1 
ATOM 560 C CE1 . PHE A 1 39 . 76.36 14.461 9.901 1 17.63 ? CE1 PHE A 39 1 
ATOM 561 C CE2 . PHE A 1 39 . 75.085 12.676 10.916 1 19.03 ? CE2 PHE A 39 1 
ATOM 562 C CZ . PHE A 1 39 . 76.251 13.421 10.82 1 19.28 ? CZ PHE A 39 1 
ATOM 563 H H . PHE A 1 39 . 73.043 16.917 9.711 1 16.39 ? H PHE A 39 1 
ATOM 564 H HA . PHE A 1 39 . 71.317 15.555 8.208 1 15.48 ? HA PHE A 39 1 
ATOM 565 H HB2 . PHE A 1 39 . 72.438 13.52 8.151 1 16.02 ? HB2 PHE A 39 1 
ATOM 566 H HB3 . PHE A 1 39 . 73.324 14.601 7.398 1 16.02 ? HB3 PHE A 39 1 
ATOM 567 H HD1 . PHE A 1 39 . 75.369 15.437 8.42 1 19.05 ? HD1 PHE A 39 1 
ATOM 568 H HD2 . PHE A 1 39 . 73.238 12.475 10.171 1 18.58 ? HD2 PHE A 39 1 
ATOM 569 H HE1 . PHE A 1 39 . 77.154 14.939 9.833 1 21.16 ? HE1 PHE A 39 1 
ATOM 570 H HE2 . PHE A 1 39 . 75.014 12 11.551 1 22.84 ? HE2 PHE A 39 1 
ATOM 571 H HZ . PHE A 1 39 . 76.966 13.229 11.382 1 23.14 ? HZ PHE A 39 1 
ATOM 572 N N . ASP A 1 40 . 70.552 14.224 10.23 1 12.6 ? N ASP A 40 1 
ATOM 573 C CA . ASP A 1 40 . 70.036 13.72 11.466 1 13.4 ? CA ASP A 40 1 
ATOM 574 C C . ASP A 1 40 . 69.725 12.238 11.294 1 12.51 ? C ASP A 40 1 
ATOM 575 O O . ASP A 1 40 . 70.233 11.587 10.395 1 13.17 ? O ASP A 40 1 
ATOM 576 C CB . ASP A 1 40 . 68.859 14.555 11.988 1 13.97 ? CB ASP A 40 1 
ATOM 577 C CG . ASP A 1 40 . 67.567 14.417 11.2 1 13.85 ? CG ASP A 40 1 
ATOM 578 O OD1 . ASP A 1 40 . 67.489 13.551 10.323 1 14.8 ? OD1 ASP A 40 1 
ATOM 579 O OD2 . ASP A 1 40 . 66.609 15.171 11.516 1 15.52 ? OD2 ASP A 40 1 
ATOM 580 H H . ASP A 1 40 . 70.174 13.891 9.533 1 15.12 ? H ASP A 40 1 
ATOM 581 H HA . ASP A 1 40 . 70.74 13.784 12.13 1 16.08 ? HA ASP A 40 1 
ATOM 582 H HB2 . ASP A 1 40 . 68.674 14.287 12.902 1 16.77 ? HB2 ASP A 40 1 
ATOM 583 H HB3 . ASP A 1 40 . 69.114 15.491 11.97 1 16.77 ? HB3 ASP A 40 1 
ATOM 584 N N . GLN A 1 41 . 68.931 11.702 12.209 1 13.44 ? N GLN A 41 1 
ATOM 585 C CA . GLN A 1 41 . 68.599 10.318 12.155 1 13.9 ? CA GLN A 41 1 
ATOM 586 C C . GLN A 1 41 . 68.058 9.835 10.786 1 12.56 ? C GLN A 41 1 
ATOM 587 O O . GLN A 1 41 . 68.405 8.739 10.328 1 13.49 ? O GLN A 41 1 
ATOM 588 C CB . GLN A 1 41 . 67.546 10.063 13.239 1 16.07 ? CB GLN A 41 1 
ATOM 589 C CG . GLN A 1 41 . 67.137 8.651 13.316 1 17.95 ? CG GLN A 41 1 
ATOM 590 C CD . GLN A 1 41 . 66.315 8.413 14.518 1 19.09 ? CD GLN A 41 1 
ATOM 591 O OE1 . GLN A 1 41 . 65.454 9.238 14.916 1 20.15 ? OE1 GLN A 41 1 
ATOM 592 N NE2 . GLN A 1 41 . 66.527 7.264 15.119 1 20.8 ? NE2 GLN A 41 1 
ATOM 593 H H . GLN A 1 41 . 68.579 12.13 12.866 1 16.13 ? H GLN A 41 1 
ATOM 594 H HA . GLN A 1 41 . 69.387 9.794 12.37 1 16.68 ? HA GLN A 41 1 
ATOM 595 H HB2 . GLN A 1 41 . 67.911 10.317 14.101 1 19.28 ? HB2 GLN A 41 1 
ATOM 596 H HB3 . GLN A 1 41 . 66.757 10.593 13.043 1 19.28 ? HB3 GLN A 41 1 
ATOM 597 H HG2 . GLN A 1 41 . 66.609 8.424 12.534 1 21.54 ? HG2 GLN A 41 1 
ATOM 598 H HG3 . GLN A 1 41 . 67.925 8.089 13.368 1 21.54 ? HG3 GLN A 41 1 
ATOM 599 H HE21 . GLN A 1 41 . 66.082 7.06 15.826 1 24.96 ? HE21 GLN A 41 1 
ATOM 600 H HE22 . GLN A 1 41 . 67.11 6.716 14.805 1 24.96 ? HE22 GLN A 41 1 
ATOM 601 N N . PHE A 1 42 . 67.186 10.634 10.191 1 11.98 ? N PHE A 42 1 
ATOM 602 C CA . PHE A 1 42 . 66.446 10.214 9.014 1 11.84 ? CA PHE A 42 1 
ATOM 603 C C . PHE A 1 42 . 66.765 10.948 7.709 1 11.18 ? C PHE A 42 1 
ATOM 604 O O . PHE A 1 42 . 66.361 10.462 6.661 1 11.21 ? O PHE A 42 1 
ATOM 605 C CB . PHE A 1 42 . 64.959 10.279 9.276 1 12.28 ? CB PHE A 42 1 
ATOM 606 C CG . PHE A 1 42 . 64.493 9.29 10.315 1 12.96 ? CG PHE A 42 1 
ATOM 607 C CD1 . PHE A 1 42 . 64.667 7.922 10.128 1 15.43 ? CD1 PHE A 42 1 
ATOM 608 C CD2 . PHE A 1 42 . 63.839 9.717 11.443 1 14.45 ? CD2 PHE A 42 1 
ATOM 609 C CE1 . PHE A 1 42 . 64.198 7.021 11.067 1 16.69 ? CE1 PHE A 42 1 
ATOM 610 C CE2 . PHE A 1 42 . 63.383 8.793 12.378 1 17.13 ? CE2 PHE A 42 1 
ATOM 611 C CZ . PHE A 1 42 . 63.585 7.446 12.181 1 17.55 ? CZ PHE A 42 1 
ATOM 612 H H . PHE A 1 42 . 67.002 11.433 10.453 1 14.38 ? H PHE A 42 1 
ATOM 613 H HA . PHE A 1 42 . 66.658 9.28 8.86 1 14.21 ? HA PHE A 42 1 
ATOM 614 H HB2 . PHE A 1 42 . 64.734 11.169 9.589 1 14.74 ? HB2 PHE A 42 1 
ATOM 615 H HB3 . PHE A 1 42 . 64.486 10.09 8.451 1 14.74 ? HB3 PHE A 42 1 
ATOM 616 H HD1 . PHE A 1 42 . 65.095 7.611 9.363 1 18.52 ? HD1 PHE A 42 1 
ATOM 617 H HD2 . PHE A 1 42 . 63.704 10.626 11.585 1 17.34 ? HD2 PHE A 42 1 
ATOM 618 H HE1 . PHE A 1 42 . 64.335 6.11 10.938 1 20.03 ? HE1 PHE A 42 1 
ATOM 619 H HE2 . PHE A 1 42 . 62.952 9.089 13.148 1 20.56 ? HE2 PHE A 42 1 
ATOM 620 H HZ . PHE A 1 42 . 63.278 6.832 12.808 1 21.06 ? HZ PHE A 42 1 
ATOM 621 N N . VAL A 1 43 . 67.4 12.115 7.759 1 11.02 ? N VAL A 43 1 
ATOM 622 C CA . VAL A 1 43 . 67.574 12.926 6.571 1 11.27 ? CA VAL A 43 1 
ATOM 623 C C . VAL A 1 43 . 68.994 13.464 6.489 1 11.18 ? C VAL A 43 1 
ATOM 624 O O . VAL A 1 43 . 69.73 13.563 7.479 1 12.18 ? O VAL A 43 1 
ATOM 625 C CB . VAL A 1 43 . 66.559 14.107 6.479 1 11.68 ? CB VAL A 43 1 
ATOM 626 C CG1 . VAL A 1 43 . 65.128 13.607 6.579 1 12.51 ? CG1 VAL A 43 1 
ATOM 627 C CG2 . VAL A 1 43 . 66.841 15.194 7.512 1 13.82 ? CG2 VAL A 43 1 
ATOM 628 H H . VAL A 1 43 . 67.738 12.456 8.473 1 13.22 ? H VAL A 43 1 
ATOM 629 H HA . VAL A 1 43 . 67.432 12.362 5.794 1 13.53 ? HA VAL A 43 1 
ATOM 630 H HB . VAL A 1 43 . 66.655 14.516 5.605 1 14.02 ? HB VAL A 43 1 
ATOM 631 H HG11 . VAL A 1 43 . 64.525 14.364 6.519 1 15.01 ? HG11 VAL A 43 1 
ATOM 632 H HG12 . VAL A 1 43 . 64.958 12.989 5.851 1 15.01 ? HG12 VAL A 43 1 
ATOM 633 H HG13 . VAL A 1 43 . 65.01 13.156 7.43 1 15.01 ? HG13 VAL A 43 1 
ATOM 634 H HG21 . VAL A 1 43 . 67.614 14.936 8.038 1 16.59 ? HG21 VAL A 43 1 
ATOM 635 H HG22 . VAL A 1 43 . 67.018 16.028 7.051 1 16.59 ? HG22 VAL A 43 1 
ATOM 636 H HG23 . VAL A 1 43 . 66.066 15.291 8.088 1 16.59 ? HG23 VAL A 43 1 
ATOM 637 N N . ILE A 1 44 . 69.346 13.842 5.27 1 11.46 ? N ILE A 44 1 
ATOM 638 C CA . ILE A 1 44 . 70.592 14.556 4.962 1 11.67 ? CA ILE A 44 1 
ATOM 639 C C . ILE A 1 44 . 70.145 15.827 4.223 1 12 ? C ILE A 44 1 
ATOM 640 O O . ILE A 1 44 . 69.381 15.753 3.271 1 13.21 ? O ILE A 44 1 
ATOM 641 C CB . ILE A 1 44 . 71.534 13.707 4.095 1 12.35 ? CB ILE A 44 1 
ATOM 642 C CG1 . ILE A 1 44 . 71.949 12.427 4.877 1 13.04 ? CG1 ILE A 44 1 
ATOM 643 C CG2 . ILE A 1 44 . 72.724 14.514 3.664 1 14.26 ? CG2 ILE A 44 1 
ATOM 644 C CD1 . ILE A 1 44 . 72.774 11.46 4.065 1 13.83 ? CD1 ILE A 44 1 
ATOM 645 H H . ILE A 1 44 . 68.864 13.693 4.573 1 13.75 ? H ILE A 44 1 
ATOM 646 H HA . ILE A 1 44 . 71.047 14.805 5.781 1 14.01 ? HA ILE A 44 1 
ATOM 647 H HB . ILE A 1 44 . 71.05 13.432 3.301 1 14.83 ? HB ILE A 44 1 
ATOM 648 H HG12 . ILE A 1 44 . 72.474 12.689 5.649 1 15.65 ? HG12 ILE A 44 1 
ATOM 649 H HG13 . ILE A 1 44 . 71.147 11.964 5.166 1 15.65 ? HG13 ILE A 44 1 
ATOM 650 H HG21 . ILE A 1 44 . 72.417 15.277 3.149 1 17.12 ? HG21 ILE A 44 1 
ATOM 651 H HG22 . ILE A 1 44 . 73.201 14.817 4.452 1 17.12 ? HG22 ILE A 44 1 
ATOM 652 H HG23 . ILE A 1 44 . 73.302 13.957 3.119 1 17.12 ? HG23 ILE A 44 1 
ATOM 653 H HD11 . ILE A 1 44 . 72.26 11.177 3.292 1 16.6 ? HD11 ILE A 44 1 
ATOM 654 H HD12 . ILE A 1 44 . 73.588 11.904 3.777 1 16.6 ? HD12 ILE A 44 1 
ATOM 655 H HD13 . ILE A 1 44 . 72.993 10.692 4.616 1 16.6 ? HD13 ILE A 44 1 
ATOM 656 N N . LEU A 1 45 . 70.686 16.971 4.639 1 12.01 ? N LEU A 45 1 
ATOM 657 C CA A LEU A 1 45 . 70.51 18.215 3.943 0.36 15.21 ? CA LEU A 45 1 
ATOM 658 C CA B LEU A 1 45 . 70.477 18.223 3.972 0.64 12.39 ? CA LEU A 45 1 
ATOM 659 C C . LEU A 1 45 . 71.643 18.457 3.003 1 12.4 ? C LEU A 45 1 
ATOM 660 O O . LEU A 1 45 . 72.797 18.591 3.467 1 13.99 ? O LEU A 45 1 
ATOM 661 C CB A LEU A 1 45 . 70.147 19.42 4.793 0.36 18.76 ? CB LEU A 45 1 
ATOM 662 C CB B LEU A 1 45 . 70.278 19.402 4.938 0.64 13.42 ? CB LEU A 45 1 
ATOM 663 C CG A LEU A 1 45 . 68.683 19.7 5.105 0.36 22.53 ? CG LEU A 45 1 
ATOM 664 C CG B LEU A 1 45 . 69.816 20.699 4.257 0.64 20.63 ? CG LEU A 45 1 
ATOM 665 C CD1 A LEU A 1 45 . 68.052 18.543 5.791 0.36 23.31 ? CD1 LEU A 45 1 
ATOM 666 C CD1 B LEU A 1 45 . 68.433 20.509 3.608 0.64 22.98 ? CD1 LEU A 45 1 
ATOM 667 C CD2 A LEU A 1 45 . 68.599 20.981 5.92 0.36 24.44 ? CD2 LEU A 45 1 
ATOM 668 C CD2 B LEU A 1 45 . 69.748 21.823 5.223 0.64 22.95 ? CD2 LEU A 45 1 
ATOM 669 H H . LEU A 1 45 . 71.183 17.033 5.338 1 14.41 ? H LEU A 45 1 
ATOM 670 H HA . LEU A 1 45 . 71.271 18.357 4.521 0.36 14.86 ? HA LEU A 45 1 
ATOM 671 H HB2 A LEU A 1 45 . 70.598 19.323 5.647 0.36 22.52 ? HB2 LEU A 45 1 
ATOM 672 H HB2 B LEU A 1 45 . 69.606 19.157 5.594 0.64 16.11 ? HB2 LEU A 45 1 
ATOM 673 H HB3 A LEU A 1 45 . 70.491 20.209 4.346 0.36 22.52 ? HB3 LEU A 45 1 
ATOM 674 H HB3 B LEU A 1 45 . 71.119 19.585 5.384 0.64 16.11 ? HB3 LEU A 45 1 
ATOM 675 H HG A LEU A 1 45 . 68.208 19.846 4.272 0.36 27.04 ? HG LEU A 45 1 
ATOM 676 H HG B LEU A 1 45 . 70.448 20.936 3.561 0.64 24.76 ? HG LEU A 45 1 
ATOM 677 H HD11 A LEU A 1 45 . 67.123 18.754 5.974 0.36 27.97 ? HD11 LEU A 45 1 
ATOM 678 H HD11 B LEU A 1 45 . 68.491 19.804 2.944 0.64 27.58 ? HD11 LEU A 45 1 
ATOM 679 H HD12 A LEU A 1 45 . 68.108 17.766 5.214 0.36 27.97 ? HD12 LEU A 45 1 
ATOM 680 H HD12 B LEU A 1 45 . 67.793 20.265 4.295 0.64 27.58 ? HD12 LEU A 45 1 
ATOM 681 H HD13 A LEU A 1 45 . 68.523 18.374 6.621 0.36 27.97 ? HD13 LEU A 45 1 
ATOM 682 H HD13 B LEU A 1 45 . 68.166 21.34 3.186 0.64 27.58 ? HD13 LEU A 45 1 
ATOM 683 H HD21 A LEU A 1 45 . 67.669 21.165 6.123 0.36 29.33 ? HD21 LEU A 45 1 
ATOM 684 H HD21 B LEU A 1 45 . 69.117 21.597 5.925 0.64 27.54 ? HD21 LEU A 45 1 
ATOM 685 H HD22 A LEU A 1 45 . 69.1 20.864 6.743 0.36 29.33 ? HD22 LEU A 45 1 
ATOM 686 H HD22 B LEU A 1 45 . 70.629 21.966 5.603 0.64 27.54 ? HD22 LEU A 45 1 
ATOM 687 H HD23 A LEU A 1 45 . 68.977 21.709 5.403 0.36 29.33 ? HD23 LEU A 45 1 
ATOM 688 H HD23 B LEU A 1 45 . 69.454 22.621 4.758 0.64 27.54 ? HD23 LEU A 45 1 
ATOM 689 N N . LEU A 1 46 . 71.389 18.51 1.717 1 12.8 ? N LEU A 46 1 
ATOM 690 C CA . LEU A 1 46 . 72.395 18.59 0.661 1 12.37 ? CA LEU A 46 1 
ATOM 691 C C . LEU A 1 46 . 72.317 19.955 0.002 1 12.95 ? C LEU A 46 1 
ATOM 692 O O . LEU A 1 46 . 71.291 20.328 -0.56 1 13.89 ? O LEU A 46 1 
ATOM 693 C CB . LEU A 1 46 . 72.161 17.518 -0.372 1 13.24 ? CB LEU A 46 1 
ATOM 694 C CG . LEU A 1 46 . 73.261 17.339 -1.412 1 14.45 ? CG LEU A 46 1 
ATOM 695 C CD1 . LEU A 1 46 . 74.541 16.792 -0.848 1 15.35 ? CD1 LEU A 46 1 
ATOM 696 C CD2 . LEU A 1 46 . 72.741 16.519 -2.557 1 16.85 ? CD2 LEU A 46 1 
ATOM 697 H H . LEU A 1 46 . 70.589 18.5 1.403 1 15.36 ? H LEU A 46 1 
ATOM 698 H HA . LEU A 1 46 . 73.281 18.474 1.04 1 14.85 ? HA LEU A 46 1 
ATOM 699 H HB2 . LEU A 1 46 . 72.056 16.67 0.087 1 15.88 ? HB2 LEU A 46 1 
ATOM 700 H HB3 . LEU A 1 46 . 71.343 17.728 -0.85 1 15.88 ? HB3 LEU A 46 1 
ATOM 701 H HG . LEU A 1 46 . 73.47 18.216 -1.771 1 17.34 ? HG LEU A 46 1 
ATOM 702 H HD11 . LEU A 1 46 . 74.366 15.923 -0.454 1 18.42 ? HD11 LEU A 46 1 
ATOM 703 H HD12 . LEU A 1 46 . 75.19 16.706 -1.564 1 18.42 ? HD12 LEU A 46 1 
ATOM 704 H HD13 . LEU A 1 46 . 74.874 17.402 -0.171 1 18.42 ? HD13 LEU A 46 1 
ATOM 705 H HD21 . LEU A 1 46 . 73.447 16.41 -3.213 1 20.22 ? HD21 LEU A 46 1 
ATOM 706 H HD22 . LEU A 1 46 . 72.463 15.651 -2.223 1 20.22 ? HD22 LEU A 46 1 
ATOM 707 H HD23 . LEU A 1 46 . 71.986 16.978 -2.956 1 20.22 ? HD23 LEU A 46 1 
ATOM 708 N N . LYS A 1 47 . 73.404 20.72 0.098 1 14.92 ? N LYS A 47 1 
ATOM 709 C CA A LYS A 1 47 . 73.507 22.041 -0.519 0.55 17.41 ? CA LYS A 47 1 
ATOM 710 C CA B LYS A 1 47 . 73.482 22.041 -0.506 0.45 16.29 ? CA LYS A 47 1 
ATOM 711 C CA C LYS A 1 47 . 73.507 22.048 -0.515 0 19.61 ? CA LYS A 47 1 
ATOM 712 C C . LYS A 1 47 . 73.902 21.898 -1.94 1 19.58 ? C LYS A 47 1 
ATOM 713 O O . LYS A 1 47 . 74.927 21.285 -2.167 1 25.43 ? O LYS A 47 1 
ATOM 714 C CB A LYS A 1 47 . 74.686 22.824 0.052 0.55 22.32 ? CB LYS A 47 1 
ATOM 715 C CB B LYS A 1 47 . 74.478 22.911 0.237 0.45 20.36 ? CB LYS A 47 1 
ATOM 716 C CB C LYS A 1 47 . 74.654 22.844 0.104 0 25.98 ? CB LYS A 47 1 
ATOM 717 C CG A LYS A 1 47 . 74.723 23.015 1.509 0.55 24.44 ? CG LYS A 47 1 
ATOM 718 C CG B LYS A 1 47 . 74.511 24.343 -0.261 0.45 22.72 ? CG LYS A 47 1 
ATOM 719 C CG C LYS A 1 47 . 74.61 22.981 1.587 0 32.88 ? CG LYS A 47 1 
ATOM 720 C CD A LYS A 1 47 . 76.055 23.736 1.881 0.55 27.38 ? CD LYS A 47 1 
ATOM 721 C CD B LYS A 1 47 . 73.135 25.092 -0.332 0.45 25.17 ? CD LYS A 47 1 
ATOM 722 C CD C LYS A 1 47 . 73.867 24.236 1.983 0 39.64 ? CD LYS A 47 1 
ATOM 723 C CE A LYS A 1 47 . 76.111 24.21 3.319 0.55 29.86 ? CE LYS A 47 1 
ATOM 724 C CE B LYS A 1 47 . 73.349 26.626 -0.486 0.45 27.19 ? CE LYS A 47 1 
ATOM 725 C CE C LYS A 1 47 . 74.803 25.316 2.497 0 44.1 ? CE LYS A 47 1 
ATOM 726 N NZ A LYS A 1 47 . 75.168 25.352 3.552 0.55 32.96 ? NZ LYS A 47 1 
ATOM 727 N NZ B LYS A 1 47 . 72.741 27.318 -1.727 0.45 23.93 ? NZ LYS A 47 1 
ATOM 728 N NZ C LYS A 1 47 . 74.786 26.518 1.621 0 45.99 ? NZ LYS A 47 1 
ATOM 729 H H . LYS A 1 47 . 74.113 20.484 0.524 1 17.91 ? H LYS A 47 1 
ATOM 730 H HA . LYS A 1 47 . 72.656 22.519 -0.454 0.55 23.54 ? HA LYS A 47 1 
ATOM 731 H HB2 A LYS A 1 47 . 75.502 22.362 -0.195 0.55 26.78 ? HB2 LYS A 47 1 
ATOM 732 H HB2 B LYS A 1 47 . 74.241 22.927 1.177 0.45 24.44 ? HB2 LYS A 47 1 
ATOM 733 H HB2 C LYS A 1 47 . 75.489 22.406 -0.123 0 31.18 ? HB2 LYS A 47 1 
ATOM 734 H HB3 A LYS A 1 47 . 74.684 23.707 -0.351 0.55 26.78 ? HB3 LYS A 47 1 
ATOM 735 H HB3 B LYS A 1 47 . 75.366 22.536 0.126 0.45 24.44 ? HB3 LYS A 47 1 
ATOM 736 H HB3 C LYS A 1 47 . 74.644 23.738 -0.271 0 31.18 ? HB3 LYS A 47 1 
ATOM 737 H HG2 A LYS A 1 47 . 73.978 23.57 1.787 0.55 29.32 ? HG2 LYS A 47 1 
ATOM 738 H HG2 B LYS A 1 47 . 75.087 24.856 0.328 0.45 27.26 ? HG2 LYS A 47 1 
ATOM 739 H HG2 C LYS A 1 47 . 74.149 22.218 1.969 0 39.45 ? HG2 LYS A 47 1 
ATOM 740 H HG3 A LYS A 1 47 . 74.697 22.154 1.954 0.55 29.32 ? HG3 LYS A 47 1 
ATOM 741 H HG3 B LYS A 1 47 . 74.886 24.344 -1.156 0.45 27.26 ? HG3 LYS A 47 1 
ATOM 742 H HG3 C LYS A 1 47 . 75.514 23.039 1.933 0 39.45 ? HG3 LYS A 47 1 
ATOM 743 H HD2 A LYS A 1 47 . 76.792 23.121 1.742 0.55 32.85 ? HD2 LYS A 47 1 
ATOM 744 H HD2 B LYS A 1 47 . 72.634 24.774 -1.1 0.45 30.2 ? HD2 LYS A 47 1 
ATOM 745 H HD2 C LYS A 1 47 . 73.398 24.586 1.209 0 47.56 ? HD2 LYS A 47 1 
ATOM 746 H HD3 A LYS A 1 47 . 76.161 24.512 1.309 0.55 32.85 ? HD3 LYS A 47 1 
ATOM 747 H HD3 B LYS A 1 47 . 72.638 24.932 0.485 0.45 30.2 ? HD3 LYS A 47 1 
ATOM 748 H HD3 C LYS A 1 47 . 73.235 24.023 2.688 0 47.56 ? HD3 LYS A 47 1 
ATOM 749 H HE2 A LYS A 1 47 . 75.859 23.481 3.908 0.55 35.84 ? HE2 LYS A 47 1 
ATOM 750 H HE2 B LYS A 1 47 . 72.968 27.06 0.294 0.45 32.62 ? HE2 LYS A 47 1 
ATOM 751 H HE2 C LYS A 1 47 . 74.524 25.585 3.386 0 52.92 ? HE2 LYS A 47 1 
ATOM 752 H HE3 A LYS A 1 47 . 77.011 24.511 3.523 0.55 35.84 ? HE3 LYS A 47 1 
ATOM 753 H HE3 B LYS A 1 47 . 74.304 26.794 -0.508 0.45 32.62 ? HE3 LYS A 47 1 
ATOM 754 H HE3 C LYS A 1 47 . 75.709 24.97 2.519 0 52.92 ? HE3 LYS A 47 1 
ATOM 755 H HZ1 A LYS A 1 47 . 75.381 26.035 3.024 0.55 39.56 ? HZ1 LYS A 47 1 
ATOM 756 H HZ1 B LYS A 1 47 . 73.083 26.965 -2.469 0.45 28.72 ? HZ1 LYS A 47 1 
ATOM 757 H HZ1 C LYS A 1 47 . 75.042 26.298 0.798 0 55.19 ? HZ1 LYS A 47 1 
ATOM 758 H HZ2 A LYS A 1 47 . 74.333 25.098 3.374 0.55 39.56 ? HZ2 LYS A 47 1 
ATOM 759 H HZ2 B LYS A 1 47 . 71.858 27.209 -1.734 0.45 28.72 ? HZ2 LYS A 47 1 
ATOM 760 H HZ2 C LYS A 1 47 . 73.964 26.857 1.588 0 55.19 ? HZ2 LYS A 47 1 
ATOM 761 H HZ3 A LYS A 1 47 . 75.214 25.616 4.401 0.55 39.56 ? HZ3 LYS A 47 1 
ATOM 762 H HZ3 B LYS A 1 47 . 72.925 28.189 -1.71 0.45 28.72 ? HZ3 LYS A 47 1 
ATOM 763 H HZ3 C LYS A 1 47 . 75.341 27.136 1.942 0 55.19 ? HZ3 LYS A 47 1 
ATOM 764 N N . THR A 1 49 . 71.398 25.325 -5.684 0.76 23.97 ? N THR A 49 1 
ATOM 765 C CA . THR A 1 49 . 70.817 26.648 -5.447 1 25.06 ? CA THR A 49 1 
ATOM 766 C C . THR A 1 49 . 70.146 26.773 -4.042 0.87 22.97 ? C THR A 49 1 
ATOM 767 O O . THR A 1 49 . 70.276 27.772 -3.374 1 25.23 ? O THR A 49 1 
ATOM 768 C CB . THR A 1 49 . 69.824 27.005 -6.527 0.71 27.57 ? CB THR A 49 1 
ATOM 769 O OG1 . THR A 1 49 . 70.502 27.042 -7.788 0.53 29.04 ? OG1 THR A 49 1 
ATOM 770 C CG2 . THR A 1 49 . 69.2 28.376 -6.255 0.42 28.25 ? CG2 THR A 49 1 
ATOM 771 H H . THR A 1 49 . 71.394 25.084 -6.51 0.76 28.76 ? H THR A 49 1 
ATOM 772 H HA . THR A 1 49 . 71.531 27.303 -5.484 1 30.07 ? HA THR A 49 1 
ATOM 773 H HB . THR A 1 49 . 69.117 26.341 -6.555 0.71 33.08 ? HB THR A 49 1 
ATOM 774 H HG1 . THR A 1 49 . 70.839 26.291 -7.955 0.53 34.84 ? HG1 THR A 49 1 
ATOM 775 H HG21 . THR A 1 49 . 69.891 29.056 -6.233 0.42 33.9 ? HG21 THR A 49 1 
ATOM 776 H HG22 . THR A 1 49 . 68.739 28.366 -5.402 0.42 33.9 ? HG22 THR A 49 1 
ATOM 777 H HG23 . THR A 1 49 . 68.564 28.595 -6.954 0.42 33.9 ? HG23 THR A 49 1 
ATOM 778 N N . VAL A 1 50 . 69.48 25.753 -3.59 1 23.46 ? N VAL A 50 1 
ATOM 779 C CA . VAL A 1 50 . 68.852 25.644 -2.25 1 20.02 ? CA VAL A 50 1 
ATOM 780 C C . VAL A 1 50 . 69.416 24.363 -1.587 1 18.68 ? C VAL A 50 1 
ATOM 781 O O . VAL A 1 50 . 70.133 23.582 -2.186 1 24.31 ? O VAL A 50 1 
ATOM 782 C CB . VAL A 1 50 . 67.333 25.54 -2.346 1 20.17 ? CB VAL A 50 1 
ATOM 783 C CG1 . VAL A 1 50 . 66.758 26.834 -2.905 1 20.75 ? CG1 VAL A 50 1 
ATOM 784 C CG2 . VAL A 1 50 . 66.952 24.305 -3.149 1 20.98 ? CG2 VAL A 50 1 
ATOM 785 H H . VAL A 1 50 . 69.355 25.044 -4.06 1 28.15 ? H VAL A 50 1 
ATOM 786 H HA . VAL A 1 50 . 69.085 26.413 -1.708 1 24.03 ? HA VAL A 50 1 
ATOM 787 H HB . VAL A 1 50 . 66.977 25.426 -1.451 1 24.2 ? HB VAL A 50 1 
ATOM 788 H HG11 . VAL A 1 50 . 65.793 26.752 -2.959 1 24.91 ? HG11 VAL A 50 1 
ATOM 789 H HG12 . VAL A 1 50 . 66.995 27.566 -2.314 1 24.91 ? HG12 VAL A 50 1 
ATOM 790 H HG13 . VAL A 1 50 . 67.128 26.988 -3.788 1 24.91 ? HG13 VAL A 50 1 
ATOM 791 H HG21 . VAL A 1 50 . 67.761 23.848 -3.428 1 25.18 ? HG21 VAL A 50 1 
ATOM 792 H HG22 . VAL A 1 50 . 66.416 23.719 -2.591 1 25.18 ? HG22 VAL A 50 1 
ATOM 793 H HG23 . VAL A 1 50 . 66.441 24.579 -3.926 1 25.18 ? HG23 VAL A 50 1 
ATOM 794 N N . SER A 1 51 . 69.173 24.217 -0.339 1 19.83 ? N SER A 51 1 
ATOM 795 C CA A SER A 1 51 . 69.404 22.933 0.255 0.77 19.22 ? CA SER A 51 1 
ATOM 796 C CA B SER A 1 51 . 69.408 22.949 0.313 0.23 20.41 ? CA SER A 51 1 
ATOM 797 C C . SER A 1 51 . 68.189 22.062 0.068 1 19.05 ? C SER A 51 1 
ATOM 798 O O . SER A 1 51 . 67.044 22.536 0.211 1 23.01 ? O SER A 51 1 
ATOM 799 C CB A SER A 1 51 . 69.734 23.139 1.723 0.77 22.66 ? CB SER A 51 1 
ATOM 800 C CB B SER A 1 51 . 69.639 23.179 1.809 0.23 23.29 ? CB SER A 51 1 
ATOM 801 O OG A SER A 1 51 . 70.937 23.842 1.779 0.77 26.4 ? OG SER A 51 1 
ATOM 802 O OG B SER A 1 51 . 68.451 23.612 2.448 0.23 25.69 ? OG SER A 51 1 
ATOM 803 H H A SER A 1 51 . 68.879 24.825 0.193 0.77 23.8 ? H SER A 51 1 
ATOM 804 H H B SER A 1 51 . 68.868 24.832 0.178 0.23 23.8 ? H SER A 51 1 
ATOM 805 H HA A SER A 1 51 . 70.16 22.506 -0.176 0.77 23.06 ? HA SER A 51 1 
ATOM 806 H HA B SER A 1 51 . 70.192 22.521 -0.066 0.23 24.5 ? HA SER A 51 1 
ATOM 807 H HB2 A SER A 1 51 . 69.032 23.656 2.147 0.77 27.19 ? HB2 SER A 51 1 
ATOM 808 H HB2 B SER A 1 51 . 69.928 22.346 2.214 0.23 27.95 ? HB2 SER A 51 1 
ATOM 809 H HB3 A SER A 1 51 . 69.838 22.278 2.159 0.77 27.19 ? HB3 SER A 51 1 
ATOM 810 H HB3 B SER A 1 51 . 70.322 23.857 1.922 0.23 27.95 ? HB3 SER A 51 1 
ATOM 811 H HG A SER A 1 51 . 71.545 23.402 1.402 0.77 31.68 ? HG SER A 51 1 
ATOM 812 H HG B SER A 1 51 . 68.188 24.333 2.107 0.23 30.83 ? HG SER A 51 1 
ATOM 813 N N . GLN A 1 52 . 68.44 20.808 -0.29 1 14.8 ? N GLN A 52 1 
ATOM 814 C CA . GLN A 1 52 . 67.344 19.879 -0.378 1 15.85 ? CA GLN A 52 1 
ATOM 815 C C . GLN A 1 52 . 67.455 18.837 0.687 1 13.15 ? C GLN A 52 1 
ATOM 816 O O . GLN A 1 52 . 68.55 18.402 1.084 1 14.99 ? O GLN A 52 1 
ATOM 817 C CB . GLN A 1 52 . 67.251 19.326 -1.726 1 17.84 ? CB GLN A 52 1 
ATOM 818 C CG . GLN A 1 52 . 68.333 18.456 -2.006 1 16.84 ? CG GLN A 52 1 
ATOM 819 C CD . GLN A 1 52 . 68.268 17.944 -3.45 1 19.29 ? CD GLN A 52 1 
ATOM 820 O OE1 . GLN A 1 52 . 67.382 17.168 -3.813 1 20.61 ? OE1 GLN A 52 1 
ATOM 821 N NE2 . GLN A 1 52 . 69.176 18.414 -4.288 1 22.31 ? NE2 GLN A 52 1 
ATOM 822 H H . GLN A 1 52 . 69.214 20.486 -0.481 1 17.76 ? H GLN A 52 1 
ATOM 823 H HA . GLN A 1 52 . 66.521 20.367 -0.214 1 19.02 ? HA GLN A 52 1 
ATOM 824 H HB2 . GLN A 1 52 . 66.426 18.822 -1.809 1 21.4 ? HB2 GLN A 52 1 
ATOM 825 H HB3 . GLN A 1 52 . 67.269 20.05 -2.371 1 21.4 ? HB3 GLN A 52 1 
ATOM 826 H HG2 . GLN A 1 52 . 69.168 18.934 -1.888 1 20.21 ? HG2 GLN A 52 1 
ATOM 827 H HG3 . GLN A 1 52 . 68.294 17.692 -1.409 1 20.21 ? HG3 GLN A 52 1 
ATOM 828 H HE21 . GLN A 1 52 . 69.179 18.156 -5.109 1 26.77 ? HE21 GLN A 52 1 
ATOM 829 H HE22 . GLN A 1 52 . 69.763 18.979 -4.014 1 26.77 ? HE22 GLN A 52 1 
ATOM 830 N N . MET A 1 53 . 66.309 18.448 1.195 1 11.91 ? N MET A 53 1 
ATOM 831 C CA . MET A 1 53 . 66.239 17.466 2.252 1 11.19 ? CA MET A 53 1 
ATOM 832 C C . MET A 1 53 . 66.048 16.101 1.66 1 11.15 ? C MET A 53 1 
ATOM 833 O O . MET A 1 53 . 64.994 15.851 1.063 1 13.98 ? O MET A 53 1 
ATOM 834 C CB . MET A 1 53 . 65.112 17.798 3.244 1 12.67 ? CB MET A 53 1 
ATOM 835 C CG . MET A 1 53 . 65.113 16.94 4.472 1 14.19 ? CG MET A 53 1 
ATOM 836 S SD . MET A 1 53 . 63.771 17.209 5.582 1 14.63 ? SD MET A 53 1 
ATOM 837 C CE . MET A 1 53 . 62.505 16.333 4.67 1 18.18 ? CE MET A 53 1 
ATOM 838 H H . MET A 1 53 . 65.542 18.743 0.941 1 14.29 ? H MET A 53 1 
ATOM 839 H HA . MET A 1 53 . 67.075 17.478 2.743 1 13.43 ? HA MET A 53 1 
ATOM 840 H HB2 . MET A 1 53 . 65.206 18.721 3.527 1 15.2 ? HB2 MET A 53 1 
ATOM 841 H HB3 . MET A 1 53 . 64.259 17.676 2.798 1 15.2 ? HB3 MET A 53 1 
ATOM 842 H HG2 . MET A 1 53 . 65.082 16.01 4.198 1 17.02 ? HG2 MET A 53 1 
ATOM 843 H HG3 . MET A 1 53 . 65.933 17.106 4.962 1 17.02 ? HG3 MET A 53 1 
ATOM 844 H HE1 . MET A 1 53 . 62.403 16.744 3.797 1 21.81 ? HE1 MET A 53 1 
ATOM 845 H HE2 . MET A 1 53 . 62.773 15.406 4.57 1 21.81 ? HE2 MET A 53 1 
ATOM 846 H HE3 . MET A 1 53 . 61.67 16.384 5.161 1 21.81 ? HE3 MET A 53 1 
ATOM 847 N N . VAL A 1 54 . 67.013 15.226 1.827 1 10.52 ? N VAL A 54 1 
ATOM 848 C CA . VAL A 1 54 . 67.021 13.898 1.242 1 10.41 ? CA VAL A 54 1 
ATOM 849 C C . VAL A 1 54 . 66.697 12.888 2.349 1 9.87 ? C VAL A 54 1 
ATOM 850 O O . VAL A 1 54 . 67.416 12.826 3.357 1 10.81 ? O VAL A 54 1 
ATOM 851 C CB . VAL A 1 54 . 68.371 13.567 0.615 1 11.32 ? CB VAL A 54 1 
ATOM 852 C CG1 . VAL A 1 54 . 68.279 12.258 -0.154 1 11.79 ? CG1 VAL A 54 1 
ATOM 853 C CG2 . VAL A 1 54 . 68.876 14.708 -0.282 1 12.8 ? CG2 VAL A 54 1 
ATOM 854 H H . VAL A 1 54 . 67.713 15.385 2.3 1 12.63 ? H VAL A 54 1 
ATOM 855 H HA . VAL A 1 54 . 66.337 13.838 0.557 1 12.49 ? HA VAL A 54 1 
ATOM 856 H HB . VAL A 1 54 . 69.02 13.444 1.326 1 13.59 ? HB VAL A 54 1 
ATOM 857 H HG11 . VAL A 1 54 . 69.145 12.061 -0.546 1 14.15 ? HG11 VAL A 54 1 
ATOM 858 H HG12 . VAL A 1 54 . 68.024 11.55 0.458 1 14.15 ? HG12 VAL A 54 1 
ATOM 859 H HG13 . VAL A 1 54 . 67.612 12.349 -0.852 1 14.15 ? HG13 VAL A 54 1 
ATOM 860 H HG21 . VAL A 1 54 . 68.226 15.427 -0.274 1 15.36 ? HG21 VAL A 54 1 
ATOM 861 H HG22 . VAL A 1 54 . 69.726 15.026 0.06 1 15.36 ? HG22 VAL A 54 1 
ATOM 862 H HG23 . VAL A 1 54 . 68.988 14.373 -1.186 1 15.36 ? HG23 VAL A 54 1 
ATOM 863 N N . TYR A 1 55 . 65.671 12.083 2.168 1 9.77 ? N TYR A 55 1 
ATOM 864 C CA . TYR A 1 55 . 65.403 11.024 3.12 1 9.91 ? CA TYR A 55 1 
ATOM 865 C C . TYR A 1 55 . 66.397 9.888 2.94 1 9.35 ? C TYR A 55 1 
ATOM 866 O O . TYR A 1 55 . 66.58 9.37 1.839 1 10.14 ? O TYR A 55 1 
ATOM 867 C CB . TYR A 1 55 . 63.964 10.485 2.988 1 10.52 ? CB TYR A 55 1 
ATOM 868 C CG . TYR A 1 55 . 62.952 11.392 3.63 1 10.51 ? CG TYR A 55 1 
ATOM 869 C CD1 . TYR A 1 55 . 62.738 11.307 4.997 1 11.17 ? CD1 TYR A 55 1 
ATOM 870 C CD2 . TYR A 1 55 . 62.234 12.303 2.932 1 11.78 ? CD2 TYR A 55 1 
ATOM 871 C CE1 . TYR A 1 55 . 61.845 12.159 5.642 1 11.38 ? CE1 TYR A 55 1 
ATOM 872 C CE2 . TYR A 1 55 . 61.321 13.144 3.55 1 13.21 ? CE2 TYR A 55 1 
ATOM 873 C CZ . TYR A 1 55 . 61.14 13.082 4.921 1 11.74 ? CZ TYR A 55 1 
ATOM 874 O OH . TYR A 1 55 . 60.271 13.971 5.496 1 12.99 ? OH TYR A 55 1 
ATOM 875 H H . TYR A 1 55 . 65.118 12.125 1.511 1 11.72 ? H TYR A 55 1 
ATOM 876 H HA . TYR A 1 55 . 65.509 11.374 4.018 1 11.89 ? HA TYR A 55 1 
ATOM 877 H HB2 . TYR A 1 55 . 63.741 10.403 2.047 1 12.62 ? HB2 TYR A 55 1 
ATOM 878 H HB3 . TYR A 1 55 . 63.909 9.618 3.42 1 12.62 ? HB3 TYR A 55 1 
ATOM 879 H HD1 . TYR A 1 55 . 63.231 10.698 5.499 1 13.41 ? HD1 TYR A 55 1 
ATOM 880 H HD2 . TYR A 1 55 . 62.362 12.373 2.013 1 14.14 ? HD2 TYR A 55 1 
ATOM 881 H HE1 . TYR A 1 55 . 61.73 12.102 6.564 1 13.66 ? HE1 TYR A 55 1 
ATOM 882 H HE2 . TYR A 1 55 . 60.862 13.779 3.049 1 15.85 ? HE2 TYR A 55 1 
ATOM 883 H HH . TYR A 1 55 . 59.929 14.461 4.905 1 15.59 ? HH TYR A 55 1 
ATOM 884 N N . LYS A 1 56 . 67.008 9.454 4.034 1 9.85 ? N LYS A 56 1 
ATOM 885 C CA . LYS A 1 56 . 67.952 8.329 3.951 1 10.21 ? CA LYS A 56 1 
ATOM 886 C C . LYS A 1 56 . 67.341 7.097 3.355 1 10.14 ? C LYS A 56 1 
ATOM 887 O O . LYS A 1 56 . 68.019 6.369 2.648 1 10.4 ? O LYS A 56 1 
ATOM 888 C CB . LYS A 1 56 . 68.516 8.022 5.323 1 10.61 ? CB LYS A 56 1 
ATOM 889 C CG . LYS A 1 56 . 69.44 9.065 5.892 1 10.86 ? CG LYS A 56 1 
ATOM 890 C CD . LYS A 1 56 . 69.892 8.633 7.287 1 12.11 ? CD LYS A 56 1 
ATOM 891 C CE . LYS A 1 56 . 70.747 9.627 7.969 1 12.75 ? CE LYS A 56 1 
ATOM 892 N NZ . LYS A 1 56 . 71.135 9.101 9.306 1 13.6 ? NZ LYS A 56 1 
ATOM 893 H H . LYS A 1 56 . 66.903 9.781 4.823 1 11.83 ? H LYS A 56 1 
ATOM 894 H HA . LYS A 1 56 . 68.693 8.591 3.382 1 12.26 ? HA LYS A 56 1 
ATOM 895 H HB2 . LYS A 1 56 . 67.777 7.92 5.943 1 12.73 ? HB2 LYS A 56 1 
ATOM 896 H HB3 . LYS A 1 56 . 69.013 7.19 5.272 1 12.73 ? HB3 LYS A 56 1 
ATOM 897 H HG2 . LYS A 1 56 . 70.223 9.152 5.325 1 13.03 ? HG2 LYS A 56 1 
ATOM 898 H HG3 . LYS A 1 56 . 68.973 9.911 5.965 1 13.03 ? HG3 LYS A 56 1 
ATOM 899 H HD2 . LYS A 1 56 . 69.108 8.487 7.839 1 14.53 ? HD2 LYS A 56 1 
ATOM 900 H HD3 . LYS A 1 56 . 70.398 7.809 7.211 1 14.53 ? HD3 LYS A 56 1 
ATOM 901 H HE2 . LYS A 1 56 . 71.551 9.78 7.449 1 15.3 ? HE2 LYS A 56 1 
ATOM 902 H HE3 . LYS A 1 56 . 70.254 10.453 8.091 1 15.3 ? HE3 LYS A 56 1 
ATOM 903 H HZ1 . LYS A 1 56 . 71.651 9.691 9.727 1 16.32 ? HZ1 LYS A 56 1 
ATOM 904 H HZ2 . LYS A 1 56 . 70.408 8.95 9.796 1 16.32 ? HZ2 LYS A 56 1 
ATOM 905 H HZ3 . LYS A 1 56 . 71.585 8.338 9.213 1 16.32 ? HZ3 LYS A 56 1 
ATOM 906 N N . HIS A 1 57 . 66.05 6.828 3.62 1 10.56 ? N HIS A 57 1 
ATOM 907 C CA . HIS A 1 57 . 65.42 5.638 3.082 1 10.98 ? CA HIS A 57 1 
ATOM 908 C C . HIS A 1 57 . 65.468 5.612 1.543 1 11.29 ? C HIS A 57 1 
ATOM 909 O O . HIS A 1 57 . 65.296 4.529 0.953 1 12.96 ? O HIS A 57 1 
ATOM 910 C CB . HIS A 1 57 . 63.974 5.456 3.588 1 11.81 ? CB HIS A 57 1 
ATOM 911 C CG . HIS A 1 57 . 63.042 6.584 3.264 1 11.05 ? CG HIS A 57 1 
ATOM 912 N ND1 . HIS A 1 57 . 62.419 7.299 4.266 1 11.67 ? ND1 HIS A 57 1 
ATOM 913 C CD2 . HIS A 1 57 . 62.63 7.09 2.083 1 11.25 ? CD2 HIS A 57 1 
ATOM 914 C CE1 . HIS A 1 57 . 61.658 8.19 3.675 1 11.27 ? CE1 HIS A 57 1 
ATOM 915 N NE2 . HIS A 1 57 . 61.747 8.073 2.368 1 10.91 ? NE2 HIS A 57 1 
ATOM 916 H H . HIS A 1 57 . 65.535 7.319 4.103 1 12.67 ? H HIS A 57 1 
ATOM 917 H HA . HIS A 1 57 . 65.924 4.869 3.392 1 13.18 ? HA HIS A 57 1 
ATOM 918 H HB2 . HIS A 1 57 . 63.607 4.651 3.191 1 14.17 ? HB2 HIS A 57 1 
ATOM 919 H HB3 . HIS A 1 57 . 63.994 5.362 4.553 1 14.17 ? HB3 HIS A 57 1 
ATOM 920 H HD2 . HIS A 1 57 . 62.875 6.793 1.237 1 13.5 ? HD2 HIS A 57 1 
ATOM 921 H HE1 . HIS A 1 57 . 61.123 8.809 4.118 1 13.52 ? HE1 HIS A 57 1 
ATOM 922 H HE2 . HIS A 1 57 . 61.347 8.57 1.792 1 13.1 ? HE2 HIS A 57 1 
ATOM 923 N N . ALA A 1 58 . 65.635 6.76 0.905 1 10.26 ? N ALA A 58 1 
ATOM 924 C CA . ALA A 1 58 . 65.696 6.871 -0.543 1 11.36 ? CA ALA A 58 1 
ATOM 925 C C . ALA A 1 58 . 67.129 6.77 -1.09 1 10.37 ? C ALA A 58 1 
ATOM 926 O O . ALA A 1 58 . 67.295 6.789 -2.287 1 12.76 ? O ALA A 58 1 
ATOM 927 C CB . ALA A 1 58 . 65.074 8.155 -1.013 1 12.21 ? CB ALA A 58 1 
ATOM 928 H H . ALA A 1 58 . 65.72 7.516 1.305 1 12.31 ? H ALA A 58 1 
ATOM 929 H HA . ALA A 1 58 . 65.185 6.142 -0.929 1 13.63 ? HA ALA A 58 1 
ATOM 930 H HB1 . ALA A 1 58 . 65.555 8.9 -0.619 1 14.65 ? HB1 ALA A 58 1 
ATOM 931 H HB2 . ALA A 1 58 . 65.131 8.198 -1.98 1 14.65 ? HB2 ALA A 58 1 
ATOM 932 H HB3 . ALA A 1 58 . 64.146 8.176 -0.734 1 14.65 ? HB3 ALA A 58 1 
ATOM 933 N N . ILE A 1 59 . 68.125 6.743 -0.209 1 10.15 ? N ILE A 59 1 
ATOM 934 C CA . ILE A 1 59 . 69.52 6.759 -0.608 1 10.05 ? CA ILE A 59 1 
ATOM 935 C C . ILE A 1 59 . 70.034 5.32 -0.736 1 9.78 ? C ILE A 59 1 
ATOM 936 O O . ILE A 1 59 . 69.817 4.497 0.139 1 10.92 ? O ILE A 59 1 
ATOM 937 C CB . ILE A 1 59 . 70.385 7.533 0.394 1 10.43 ? CB ILE A 59 1 
ATOM 938 C CG1 . ILE A 1 59 . 69.914 8.969 0.505 1 10.78 ? CG1 ILE A 59 1 
ATOM 939 C CG2 . ILE A 1 59 . 71.851 7.441 0.019 1 11.19 ? CG2 ILE A 59 1 
ATOM 940 C CD1 . ILE A 1 59 . 70.633 9.801 1.544 1 11.69 ? CD1 ILE A 59 1 
ATOM 941 H H . ILE A 1 59 . 68.012 6.715 0.643 1 12.18 ? H ILE A 59 1 
ATOM 942 H HA . ILE A 1 59 . 69.599 7.189 -1.474 1 12.06 ? HA ILE A 59 1 
ATOM 943 H HB . ILE A 1 59 . 70.275 7.117 1.263 1 12.52 ? HB ILE A 59 1 
ATOM 944 H HG12 . ILE A 1 59 . 70.039 9.402 -0.354 1 12.93 ? HG12 ILE A 59 1 
ATOM 945 H HG13 . ILE A 1 59 . 68.971 8.967 0.734 1 12.93 ? HG13 ILE A 59 1 
ATOM 946 H HG21 . ILE A 1 59 . 72.12 6.509 0.021 1 13.43 ? HG21 ILE A 59 1 
ATOM 947 H HG22 . ILE A 1 59 . 71.975 7.819 -0.866 1 13.43 ? HG22 ILE A 59 1 
ATOM 948 H HG23 . ILE A 1 59 . 72.374 7.938 0.668 1 13.43 ? HG23 ILE A 59 1 
ATOM 949 H HD11 . ILE A 1 59 . 71.577 9.831 1.325 1 14.03 ? HD11 ILE A 59 1 
ATOM 950 H HD12 . ILE A 1 59 . 70.263 10.698 1.539 1 14.03 ? HD12 ILE A 59 1 
ATOM 951 H HD13 . ILE A 1 59 . 70.507 9.395 2.415 1 14.03 ? HD13 ILE A 59 1 
ATOM 952 N N . SER A 1 60 . 70.771 5.055 -1.818 1 10.41 ? N SER A 60 1 
ATOM 953 C CA A SER A 1 60 . 71.512 3.812 -1.902 0.61 10.91 ? CA SER A 60 1 
ATOM 954 C CA B SER A 1 60 . 71.563 3.84 -1.993 0.39 11.11 ? CA SER A 60 1 
ATOM 955 C C . SER A 1 60 . 72.959 3.988 -1.406 1 10.65 ? C SER A 60 1 
ATOM 956 O O . SER A 1 60 . 73.371 3.208 -0.557 1 11.63 ? O SER A 60 1 
ATOM 957 C CB A SER A 1 60 . 71.477 3.257 -3.322 0.61 11.58 ? CB SER A 60 1 
ATOM 958 C CB B SER A 1 60 . 71.727 3.507 -3.469 0.39 15.38 ? CB SER A 60 1 
ATOM 959 O OG A SER A 1 60 . 72.165 4.134 -4.17 0.61 13.75 ? OG SER A 60 1 
ATOM 960 O OG B SER A 1 60 . 70.534 3.054 -4.028 0.39 19.4 ? OG SER A 60 1 
ATOM 961 H H A SER A 1 60 . 70.852 5.572 -2.501 0.61 12.49 ? H SER A 60 1 
ATOM 962 H H B SER A 1 60 . 70.827 5.589 -2.49 0.39 12.49 ? H SER A 60 1 
ATOM 963 H HA A SER A 1 60 . 71.084 3.16 -1.324 0.61 13.09 ? HA SER A 60 1 
ATOM 964 H HA B SER A 1 60 . 71.12 3.097 -1.555 0.39 13.33 ? HA SER A 60 1 
ATOM 965 H HB2 A SER A 1 60 . 71.907 2.388 -3.34 0.61 13.9 ? HB2 SER A 60 1 
ATOM 966 H HB2 B SER A 1 60 . 72.01 4.306 -3.941 0.39 18.46 ? HB2 SER A 60 1 
ATOM 967 H HB3 A SER A 1 60 . 70.555 3.183 -3.616 0.61 13.9 ? HB3 SER A 60 1 
ATOM 968 H HB3 B SER A 1 60 . 72.4 2.814 -3.561 0.39 18.46 ? HB3 SER A 60 1 
ATOM 969 H HG A SER A 1 60 . 72.963 4.209 -3.919 0.61 16.5 ? HG SER A 60 1 
ATOM 970 H HG B SER A 1 60 . 70.276 2.36 -3.63 0.39 23.28 ? HG SER A 60 1 
ATOM 971 N N . THR A 1 61 . 73.693 4.963 -1.934 1 11.45 ? N THR A 61 1 
ATOM 972 C CA A THR A 1 61 . 75.091 5.138 -1.596 0.57 11.52 ? CA THR A 61 1 
ATOM 973 C CA B THR A 1 61 . 75.063 5.117 -1.534 0.43 12.95 ? CA THR A 61 1 
ATOM 974 C C . THR A 1 61 . 75.439 6.598 -1.526 1 11.9 ? C THR A 61 1 
ATOM 975 O O . THR A 1 61 . 74.876 7.457 -2.209 1 13.99 ? O THR A 61 1 
ATOM 976 C CB A THR A 1 61 . 76.047 4.539 -2.637 0.57 13.95 ? CB THR A 61 1 
ATOM 977 C CB B THR A 1 61 . 75.939 4.23 -2.454 0.43 14.74 ? CB THR A 61 1 
ATOM 978 O OG1 A THR A 1 61 . 75.903 5.268 -3.852 0.57 19.51 ? OG1 THR A 61 1 
ATOM 979 O OG1 B THR A 1 61 . 77.302 4.19 -2.027 0.43 14.55 ? OG1 THR A 61 1 
ATOM 980 C CG2 A THR A 1 61 . 75.779 3.08 -2.868 0.57 13.93 ? CG2 THR A 61 1 
ATOM 981 C CG2 B THR A 1 61 . 75.827 4.733 -3.812 0.43 19.74 ? CG2 THR A 61 1 
ATOM 982 H H A THR A 1 61 . 73.395 5.541 -2.497 0.57 13.73 ? H THR A 61 1 
ATOM 983 H H B THR A 1 61 . 73.417 5.534 -2.515 0.43 13.73 ? H THR A 61 1 
ATOM 984 H HA A THR A 1 61 . 75.273 4.732 -0.734 0.57 13.82 ? HA THR A 61 1 
ATOM 985 H HA B THR A 1 61 . 75.161 4.786 -0.627 0.43 15.54 ? HA THR A 61 1 
ATOM 986 H HB A THR A 1 61 . 76.959 4.63 -2.318 0.57 16.74 ? HB THR A 61 1 
ATOM 987 H HB B THR A 1 61 . 75.584 3.327 -2.444 0.43 17.69 ? HB THR A 61 1 
ATOM 988 H HG1 A THR A 1 61 . 75.112 5.213 -4.128 0.57 23.41 ? HG1 THR A 61 1 
ATOM 989 H HG1 B THR A 1 61 . 77.35 3.879 -1.248 0.43 17.46 ? HG1 THR A 61 1 
ATOM 990 H HG21 A THR A 1 61 . 75.89 2.587 -2.04 0.57 16.72 ? HG21 THR A 61 1 
ATOM 991 H HG21 B THR A 1 61 . 76.135 5.652 -3.851 0.43 23.69 ? HG21 THR A 61 1 
ATOM 992 H HG22 A THR A 1 61 . 74.872 2.957 -3.189 0.57 16.72 ? HG22 THR A 61 1 
ATOM 993 H HG22 B THR A 1 61 . 76.367 4.194 -4.411 0.43 23.69 ? HG22 THR A 61 1 
ATOM 994 H HG23 A THR A 1 61 . 76.397 2.73 -3.529 0.57 16.72 ? HG23 THR A 61 1 
ATOM 995 H HG23 B THR A 1 61 . 74.903 4.698 -4.104 0.43 23.69 ? HG23 THR A 61 1 
ATOM 996 N N . VAL A 1 62 . 76.4 6.897 -0.652 1 12.18 ? N VAL A 62 1 
ATOM 997 C CA . VAL A 1 62 . 77.023 8.201 -0.517 1 12.02 ? CA VAL A 62 1 
ATOM 998 C C . VAL A 1 62 . 78.492 8.044 -0.902 1 12.58 ? C VAL A 62 1 
ATOM 999 O O . VAL A 1 62 . 79.21 7.251 -0.271 1 13.71 ? O VAL A 62 1 
ATOM 1000 C CB . VAL A 1 62 . 76.849 8.779 0.891 1 13.06 ? CB VAL A 62 1 
ATOM 1001 C CG1 . VAL A 1 62 . 77.55 10.168 1.019 1 15.06 ? CG1 VAL A 62 1 
ATOM 1002 C CG2 . VAL A 1 62 . 75.385 8.873 1.294 1 14.86 ? CG2 VAL A 62 1 
ATOM 1003 H H . VAL A 1 62 . 76.72 6.322 -0.099 1 14.62 ? H VAL A 62 1 
ATOM 1004 H HA . VAL A 1 62 . 76.612 8.815 -1.145 1 14.42 ? HA VAL A 62 1 
ATOM 1005 H HB . VAL A 1 62 . 77.281 8.18 1.519 1 15.67 ? HB VAL A 62 1 
ATOM 1006 H HG11 . VAL A 1 62 . 77.963 10.393 0.171 1 18.08 ? HG11 VAL A 62 1 
ATOM 1007 H HG12 . VAL A 1 62 . 76.886 10.836 1.252 1 18.08 ? HG12 VAL A 62 1 
ATOM 1008 H HG13 . VAL A 1 62 . 78.226 10.117 1.713 1 18.08 ? HG13 VAL A 62 1 
ATOM 1009 H HG21 . VAL A 1 62 . 74.836 8.542 0.567 1 17.83 ? HG21 VAL A 62 1 
ATOM 1010 H HG22 . VAL A 1 62 . 75.242 8.335 2.089 1 17.83 ? HG22 VAL A 62 1 
ATOM 1011 H HG23 . VAL A 1 62 . 75.168 9.8 1.478 1 17.83 ? HG23 VAL A 62 1 
ATOM 1012 N N . VAL A 1 63 . 78.946 8.766 -1.925 1 13.42 ? N VAL A 63 1 
ATOM 1013 C CA . VAL A 1 63 . 80.247 8.604 -2.515 1 14.03 ? CA VAL A 63 1 
ATOM 1014 C C . VAL A 1 63 . 81.008 9.932 -2.423 1 13.78 ? C VAL A 63 1 
ATOM 1015 O O . VAL A 1 63 . 80.638 10.893 -3.093 1 14.74 ? O VAL A 63 1 
ATOM 1016 C CB . VAL A 1 63 . 80.182 8.121 -3.962 1 15.65 ? CB VAL A 63 1 
ATOM 1017 C CG1 . VAL A 1 63 . 81.601 7.865 -4.498 1 18.46 ? CG1 VAL A 63 1 
ATOM 1018 C CG2 . VAL A 1 63 . 79.331 6.877 -4.105 1 17.75 ? CG2 VAL A 63 1 
ATOM 1019 H H . VAL A 1 63 . 78.484 9.384 -2.304 1 16.1 ? H VAL A 63 1 
ATOM 1020 H HA . VAL A 1 63 . 80.741 7.944 -2.004 1 16.84 ? HA VAL A 63 1 
ATOM 1021 H HB . VAL A 1 63 . 79.782 8.817 -4.505 1 18.78 ? HB VAL A 63 1 
ATOM 1022 H HG11 . VAL A 1 63 . 82.243 8.066 -3.799 1 22.16 ? HG11 VAL A 63 1 
ATOM 1023 H HG12 . VAL A 1 63 . 81.676 6.934 -4.759 1 22.16 ? HG12 VAL A 63 1 
ATOM 1024 H HG13 . VAL A 1 63 . 81.756 8.438 -5.265 1 22.16 ? HG13 VAL A 63 1 
ATOM 1025 H HG21 . VAL A 1 63 . 78.988 6.627 -3.233 1 21.3 ? HG21 VAL A 63 1 
ATOM 1026 H HG22 . VAL A 1 63 . 78.596 7.065 -4.709 1 21.3 ? HG22 VAL A 63 1 
ATOM 1027 H HG23 . VAL A 1 63 . 79.878 6.16 -4.463 1 21.3 ? HG23 VAL A 63 1 
ATOM 1028 N N A PRO A 1 64 . 82.052 10.027 -1.593 0.4 14.41 ? N PRO A 64 1 
ATOM 1029 N N B PRO A 1 64 . 82.047 10.021 -1.597 0.6 14.29 ? N PRO A 64 1 
ATOM 1030 C CA A PRO A 1 64 . 82.771 11.298 -1.595 0.4 16.01 ? CA PRO A 64 1 
ATOM 1031 C CA B PRO A 1 64 . 82.86 11.221 -1.505 0.6 13.64 ? CA PRO A 64 1 
ATOM 1032 C C A PRO A 1 64 . 83.55 11.487 -2.872 0.4 17.1 ? C PRO A 64 1 
ATOM 1033 C C B PRO A 1 64 . 83.61 11.462 -2.813 0.6 12.57 ? C PRO A 64 1 
ATOM 1034 O O A PRO A 1 64 . 83.911 10.55 -3.554 0.4 20.68 ? O PRO A 64 1 
ATOM 1035 O O B PRO A 1 64 . 84.061 10.498 -3.444 0.6 13.17 ? O PRO A 64 1 
ATOM 1036 C CB A PRO A 1 64 . 83.726 11.169 -0.417 0.4 18.1 ? CB PRO A 64 1 
ATOM 1037 C CB B PRO A 1 64 . 83.841 10.842 -0.377 0.6 15.69 ? CB PRO A 64 1 
ATOM 1038 C CG A PRO A 1 64 . 83.962 9.693 -0.298 0.4 17.92 ? CG PRO A 64 1 
ATOM 1039 C CG B PRO A 1 64 . 83.175 9.723 0.385 0.6 15.77 ? CG PRO A 64 1 
ATOM 1040 C CD A PRO A 1 64 . 82.663 9.039 -0.685 0.4 15.84 ? CD PRO A 64 1 
ATOM 1041 C CD B PRO A 1 64 . 82.496 8.969 -0.662 0.6 15.97 ? CD PRO A 64 1 
ATOM 1042 H HA A PRO A 1 64 . 82.167 12.044 -1.456 0.4 19.21 ? HA PRO A 64 1 
ATOM 1043 H HA B PRO A 1 64 . 82.333 11.996 -1.258 0.6 16.37 ? HA PRO A 64 1 
ATOM 1044 H HB2 A PRO A 1 64 . 84.553 11.637 -0.61 0.4 21.72 ? HB2 PRO A 64 1 
ATOM 1045 H HB2 B PRO A 1 64 . 84.679 10.541 -0.762 0.6 18.82 ? HB2 PRO A 64 1 
ATOM 1046 H HB3 A PRO A 1 64 . 83.309 11.519 0.385 0.4 21.72 ? HB3 PRO A 64 1 
ATOM 1047 H HB3 B PRO A 1 64 . 83.985 11.608 0.199 0.6 18.82 ? HB3 PRO A 64 1 
ATOM 1048 H HG2 A PRO A 1 64 . 84.671 9.427 -0.904 0.4 21.51 ? HG2 PRO A 64 1 
ATOM 1049 H HG2 B PRO A 1 64 . 83.845 9.178 0.828 0.6 18.93 ? HG2 PRO A 64 1 
ATOM 1050 H HG3 A PRO A 1 64 . 84.195 9.473 0.618 0.4 21.51 ? HG3 PRO A 64 1 
ATOM 1051 H HG3 B PRO A 1 64 . 82.54 10.085 1.022 0.6 18.93 ? HG3 PRO A 64 1 
ATOM 1052 H HD2 A PRO A 1 64 . 82.828 8.206 -1.152 0.4 19.01 ? HD2 PRO A 64 1 
ATOM 1053 H HD2 B PRO A 1 64 . 83.116 8.367 -1.103 0.6 19.17 ? HD2 PRO A 64 1 
ATOM 1054 H HD3 A PRO A 1 64 . 82.104 8.906 0.097 0.4 19.01 ? HD3 PRO A 64 1 
ATOM 1055 H HD3 B PRO A 1 64 . 81.734 8.493 -0.297 0.6 19.17 ? HD3 PRO A 64 1 
ATOM 1056 N N . SER A 1 65 . 83.805 12.74 -3.178 1 14.69 ? N SER A 65 1 
ATOM 1057 C CA . SER A 1 65 . 84.591 13.06 -4.357 1 15.84 ? CA SER A 65 1 
ATOM 1058 C C . SER A 1 65 . 86.086 12.823 -4.155 1 16.17 ? C SER A 65 1 
ATOM 1059 O O . SER A 1 65 . 86.809 12.775 -5.161 1 18.72 ? O SER A 65 1 
ATOM 1060 C CB . SER A 1 65 . 84.312 14.489 -4.805 1 17.43 ? CB SER A 65 1 
ATOM 1061 O OG . SER A 1 65 . 84.712 15.366 -3.779 1 18.35 ? OG SER A 65 1 
ATOM 1062 H H A SER A 1 65 . 83.539 13.422 -2.726 0.4 17.63 ? H SER A 65 1 
ATOM 1063 H H B SER A 1 65 . 83.493 13.424 -2.759 0.6 17.63 ? H SER A 65 1 
ATOM 1064 H HA . SER A 1 65 . 84.305 12.475 -5.076 1 19.01 ? HA SER A 65 1 
ATOM 1065 H HB2 . SER A 1 65 . 84.82 14.68 -5.61 1 20.92 ? HB2 SER A 65 1 
ATOM 1066 H HB3 . SER A 1 65 . 83.362 14.596 -4.97 1 20.92 ? HB3 SER A 65 1 
ATOM 1067 H HG . SER A 1 65 . 84.567 16.161 -4.007 1 22.02 ? HG SER A 65 1 
ATOM 1068 N N . ARG A 1 66 . 86.527 12.728 -2.902 1 16.03 ? N ARG A 66 1 
ATOM 1069 C CA . ARG A 1 66 . 87.928 12.428 -2.615 1 17.06 ? CA ARG A 66 1 
ATOM 1070 C C . ARG A 1 66 . 87.935 11.737 -1.278 1 16.58 ? C ARG A 66 1 
ATOM 1071 O O . ARG A 1 66 . 86.944 11.832 -0.522 1 16.99 ? O ARG A 66 1 
ATOM 1072 C CB . ARG A 1 66 . 88.799 13.681 -2.616 1 18.77 ? CB ARG A 66 1 
ATOM 1073 C CG . ARG A 1 66 . 88.314 14.809 -1.775 1 21 ? CG ARG A 66 1 
ATOM 1074 C CD . ARG A 1 66 . 88.716 14.789 -0.354 1 24.98 ? CD ARG A 66 1 
ATOM 1075 N NE . ARG A 1 66 . 88.637 16.088 0.346 1 25.02 ? NE ARG A 66 1 
ATOM 1076 C CZ . ARG A 1 66 . 88.98 16.22 1.622 1 23.19 ? CZ ARG A 66 1 
ATOM 1077 N NH1 . ARG A 1 66 . 89.492 15.157 2.29 1 23.76 ? NH1 ARG A 66 1 
ATOM 1078 N NH2 . ARG A 1 66 . 88.845 17.387 2.214 1 26.1 ? NH2 ARG A 66 1 
ATOM 1079 H H . ARG A 1 66 . 86.037 12.832 -2.203 1 19.23 ? H ARG A 66 1 
ATOM 1080 H HA . ARG A 1 66 . 88.272 11.813 -3.281 1 20.47 ? HA ARG A 66 1 
ATOM 1081 H HB2 . ARG A 1 66 . 89.682 13.439 -2.296 1 22.53 ? HB2 ARG A 66 1 
ATOM 1082 H HB3 . ARG A 1 66 . 88.864 14.006 -3.528 1 22.53 ? HB3 ARG A 66 1 
ATOM 1083 H HG2 . ARG A 1 66 . 88.647 15.637 -2.157 1 25.2 ? HG2 ARG A 66 1 
ATOM 1084 H HG3 . ARG A 1 66 . 87.345 14.811 -1.8 1 25.2 ? HG3 ARG A 66 1 
ATOM 1085 H HD2 . ARG A 1 66 . 88.141 14.168 0.119 1 29.97 ? HD2 ARG A 66 1 
ATOM 1086 H HD3 . ARG A 1 66 . 89.636 14.484 -0.3 1 29.97 ? HD3 ARG A 66 1 
ATOM 1087 H HE . ARG A 1 66 . 88.587 16.801 -0.133 1 30.03 ? HE ARG A 66 1 
ATOM 1088 H HH11 . ARG A 1 66 . 89.564 14.396 1.897 1 28.51 ? HH11 ARG A 66 1 
ATOM 1089 H HH12 . ARG A 1 66 . 89.726 15.239 3.114 1 28.51 ? HH12 ARG A 66 1 
ATOM 1090 H HH21 . ARG A 1 66 . 88.536 18.059 1.775 1 31.32 ? HH21 ARG A 66 1 
ATOM 1091 H HH22 . ARG A 1 66 . 89.093 17.486 3.032 1 31.32 ? HH22 ARG A 66 1 
ATOM 1092 N N . PRO A 1 67 . 89.014 11.037 -0.928 1 18.26 ? N PRO A 67 1 
ATOM 1093 C CA . PRO A 1 67 . 89.041 10.326 0.351 1 18.44 ? CA PRO A 67 1 
ATOM 1094 C C . PRO A 1 67 . 88.967 11.29 1.519 1 18.03 ? C PRO A 67 1 
ATOM 1095 O O . PRO A 1 67 . 89.473 12.397 1.441 1 18.98 ? O PRO A 67 1 
ATOM 1096 C CB . PRO A 1 67 . 90.411 9.603 0.313 1 20.51 ? CB PRO A 67 1 
ATOM 1097 C CG . PRO A 1 67 . 90.718 9.448 -1.134 1 20.52 ? CG PRO A 67 1 
ATOM 1098 C CD . PRO A 1 67 . 90.186 10.733 -1.76 1 19.37 ? CD PRO A 67 1 
ATOM 1099 H HA . PRO A 1 67 . 88.322 9.677 0.406 1 22.12 ? HA PRO A 67 1 
ATOM 1100 H HB2 . PRO A 1 67 . 91.082 10.149 0.751 1 24.62 ? HB2 PRO A 67 1 
ATOM 1101 H HB3 . PRO A 1 67 . 90.336 8.737 0.744 1 24.62 ? HB3 PRO A 67 1 
ATOM 1102 H HG2 . PRO A 1 67 . 91.676 9.37 -1.262 1 24.62 ? HG2 PRO A 67 1 
ATOM 1103 H HG3 . PRO A 1 67 . 90.256 8.672 -1.489 1 24.62 ? HG3 PRO A 67 1 
ATOM 1104 H HD2 . PRO A 1 67 . 90.844 11.442 -1.691 1 23.24 ? HD2 PRO A 67 1 
ATOM 1105 H HD3 . PRO A 1 67 . 89.92 10.579 -2.68 1 23.24 ? HD3 PRO A 67 1 
ATOM 1106 N N . VAL A 1 68 . 88.379 10.833 2.616 1 19.92 ? N VAL A 68 1 
ATOM 1107 C CA A VAL A 1 68 . 88.194 11.645 3.81 0.69 20.3 ? CA VAL A 68 1 
ATOM 1108 C CA B VAL A 1 68 . 88.23 11.661 3.8 0.31 22.7 ? CA VAL A 68 1 
ATOM 1109 C C . VAL A 1 68 . 88.583 10.866 5.04 1 20.4 ? C VAL A 68 1 
ATOM 1110 O O . VAL A 1 68 . 88.304 9.671 5.129 1 22.58 ? O VAL A 68 1 
ATOM 1111 C CB A VAL A 1 68 . 86.726 12.178 3.911 0.69 22.01 ? CB VAL A 68 1 
ATOM 1112 C CB B VAL A 1 68 . 86.789 12.204 3.921 0.31 27.12 ? CB VAL A 68 1 
ATOM 1113 C CG1 A VAL A 1 68 . 85.756 11.069 4.307 0.69 23.66 ? CG1 VAL A 68 1 
ATOM 1114 C CG1 B VAL A 1 68 . 86.722 13.3 4.972 0.31 30.01 ? CG1 VAL A 68 1 
ATOM 1115 C CG2 A VAL A 1 68 . 86.64 13.373 4.868 0.69 26.25 ? CG2 VAL A 68 1 
ATOM 1116 C CG2 B VAL A 1 68 . 86.312 12.732 2.572 0.31 27.34 ? CG2 VAL A 68 1 
ATOM 1117 H H A VAL A 1 68 . 88.072 10.033 2.695 0.69 23.9 ? H VAL A 68 1 
ATOM 1118 H H B VAL A 1 68 . 88.056 10.04 2.699 0.31 23.9 ? H VAL A 68 1 
ATOM 1119 H HA A VAL A 1 68 . 88.781 12.415 3.753 0.69 24.36 ? HA VAL A 68 1 
ATOM 1120 H HA B VAL A 1 68 . 88.836 12.416 3.74 0.31 27.24 ? HA VAL A 68 1 
ATOM 1121 H HB A VAL A 1 68 . 86.458 12.494 3.034 0.69 26.41 ? HB VAL A 68 1 
ATOM 1122 H HB B VAL A 1 68 . 86.197 11.485 4.193 0.31 32.55 ? HB VAL A 68 1 
ATOM 1123 H HG11 A VAL A 1 68 . 86.251 10.242 4.418 0.69 28.39 ? HG11 VAL A 68 1 
ATOM 1124 H HG11 B VAL A 1 68 . 85.81 13.625 5.031 0.31 36.01 ? HG11 VAL A 68 1 
ATOM 1125 H HG12 A VAL A 1 68 . 85.324 11.311 5.141 0.69 28.39 ? HG12 VAL A 68 1 
ATOM 1126 H HG12 B VAL A 1 68 . 86.999 12.934 5.827 0.31 36.01 ? HG12 VAL A 68 1 
ATOM 1127 H HG13 A VAL A 1 68 . 85.093 10.966 3.607 0.69 28.39 ? HG13 VAL A 68 1 
ATOM 1128 H HG13 B VAL A 1 68 . 87.316 14.022 4.713 0.31 36.01 ? HG13 VAL A 68 1 
ATOM 1129 H HG21 A VAL A 1 68 . 87.524 13.558 5.222 0.69 31.5 ? HG21 VAL A 68 1 
ATOM 1130 H HG21 B VAL A 1 68 . 85.407 13.069 2.667 0.31 32.81 ? HG21 VAL A 68 1 
ATOM 1131 H HG22 A VAL A 1 68 . 86.309 14.144 4.381 0.69 31.5 ? HG22 VAL A 68 1 
ATOM 1132 H HG22 B VAL A 1 68 . 86.903 13.447 2.286 0.31 32.81 ? HG22 VAL A 68 1 
ATOM 1133 H HG23 A VAL A 1 68 . 86.033 13.154 5.593 0.69 31.5 ? HG23 VAL A 68 1 
ATOM 1134 H HG23 B VAL A 1 68 . 86.33 12.009 1.926 0.31 32.81 ? HG23 VAL A 68 1 
ATOM 1135 N N . SER A 1 69 . 89.197 11.547 5.993 1 22.28 ? N SER A 69 1 
ATOM 1136 C CA A SER A 1 69 . 89.514 10.969 7.293 0.74 25.23 ? CA SER A 69 1 
ATOM 1137 C CA B SER A 1 69 . 89.521 10.947 7.278 0.26 25.57 ? CA SER A 69 1 
ATOM 1138 C C . SER A 1 69 . 88.25 10.566 8.009 1 28.28 ? C SER A 69 1 
ATOM 1139 O O . SER A 1 69 . 87.311 11.393 8.143 1 29.46 ? O SER A 69 1 
ATOM 1140 C CB A SER A 1 69 . 90.283 11.993 8.12 0.74 27.46 ? CB SER A 69 1 
ATOM 1141 C CB B SER A 1 69 . 90.335 11.913 8.13 0.26 27.57 ? CB SER A 69 1 
ATOM 1142 O OG A SER A 1 69 . 90.606 11.471 9.4 0.74 29.62 ? OG SER A 69 1 
ATOM 1143 O OG B SER A 1 69 . 89.568 13.046 8.493 0.26 29.93 ? OG SER A 69 1 
ATOM 1144 H H A SER A 1 69 . 89.448 12.366 5.911 0.74 26.74 ? H SER A 69 1 
ATOM 1145 H H B SER A 1 69 . 89.441 12.369 5.921 0.26 26.74 ? H SER A 69 1 
ATOM 1146 H HA A SER A 1 69 . 90.07 10.183 7.175 0.74 30.27 ? HA SER A 69 1 
ATOM 1147 H HA B SER A 1 69 . 90.046 10.144 7.136 0.26 30.69 ? HA SER A 69 1 
ATOM 1148 H HB2 A SER A 1 69 . 91.104 12.222 7.656 0.74 32.96 ? HB2 SER A 69 1 
ATOM 1149 H HB2 B SER A 1 69 . 90.623 11.456 8.937 0.26 33.09 ? HB2 SER A 69 1 
ATOM 1150 H HB3 A SER A 1 69 . 89.734 12.785 8.231 0.74 32.96 ? HB3 SER A 69 1 
ATOM 1151 H HB3 B SER A 1 69 . 91.108 12.206 7.623 0.26 33.09 ? HB3 SER A 69 1 
ATOM 1152 H HG A SER A 1 69 . 91.082 10.784 9.318 0.74 35.54 ? HG SER A 69 1 
ATOM 1153 H HG B SER A 1 69 . 90.029 13.568 8.961 0.26 35.92 ? HG SER A 69 1 
ATOM 1154 N N . HIS A 1 70 . 88.184 9.305 8.443 1 40.25 ? N HIS A 70 1 
ATOM 1155 C CA . HIS A 1 70 . 87.035 8.81 9.213 1 58.65 ? CA HIS A 70 1 
ATOM 1156 C C . HIS A 1 70 . 87.38 7.543 9.983 1 92.95 ? C HIS A 70 1 
ATOM 1157 O O . HIS A 1 70 . 88.451 6.967 9.796 1 119.89 ? O HIS A 70 1 
ATOM 1158 C CB . HIS A 1 70 . 85.833 8.541 8.303 1 43.68 ? CB HIS A 70 1 
ATOM 1159 C CG . HIS A 1 70 . 86.058 7.445 7.308 1 35.21 ? CG HIS A 70 1 
ATOM 1160 N ND1 . HIS A 1 70 . 86.722 7.648 6.111 1 34.11 ? ND1 HIS A 70 1 
ATOM 1161 C CD2 . HIS A 1 70 . 85.659 6.145 7.313 1 34.6 ? CD2 HIS A 70 1 
ATOM 1162 C CE1 . HIS A 1 70 . 86.744 6.508 5.436 1 33.47 ? CE1 HIS A 70 1 
ATOM 1163 N NE2 . HIS A 1 70 . 86.099 5.586 6.139 1 35.17 ? NE2 HIS A 70 1 
ATOM 1164 H H . HIS A 1 70 . 88.793 8.713 8.305 1 48.3 ? H HIS A 70 1 
ATOM 1165 H HA . HIS A 1 70 . 86.774 9.487 9.856 1 70.38 ? HA HIS A 70 1 
ATOM 1166 H HB2 . HIS A 1 70 . 85.074 8.29 8.853 1 52.41 ? HB2 HIS A 70 1 
ATOM 1167 H HB3 . HIS A 1 70 . 85.627 9.351 7.81 1 52.41 ? HB3 HIS A 70 1 
ATOM 1168 H HD1 . HIS A 1 70 . 87.075 8.388 5.854 1 40.93 ? HD1 HIS A 70 1 
ATOM 1169 H HD2 . HIS A 1 70 . 85.182 5.716 7.986 1 41.52 ? HD2 HIS A 70 1 
ATOM 1170 H HE1 . HIS A 1 70 . 87.137 6.379 4.604 1 40.16 ? HE1 HIS A 70 1 
ATOM 1171 H HE2 . HIS A 1 70 . 85.987 4.766 5.903 1 42.21 ? HE2 HIS A 70 1 
ATOM 1172 N N . SER A-2 1 6 . 49.548 12.121 14.384 1 42.4 ? N SER A-2 6 1 
ATOM 1173 C CA . SER A-2 1 6 . 48.926 13.349 14.868 1 38.11 ? CA SER A-2 6 1 
ATOM 1174 C C . SER A-2 1 6 . 48.147 14.049 13.75 1 27.53 ? C SER A-2 6 1 
ATOM 1175 O O . SER A-2 1 6 . 47.189 14.786 14.041 1 30.47 ? O SER A-2 6 1 
ATOM 1176 C CB . SER A-2 1 6 . 49.977 14.304 15.443 1 44.85 ? CB SER A-2 6 1 
ATOM 1177 O OG . SER A-2 1 6 . 49.393 15.57 15.701 1 49.08 ? OG SER A-2 6 1 
ATOM 1178 H HA . SER A-2 1 6 . 48.301 13.127 15.577 1 45.73 ? HA SER A-2 6 1 
ATOM 1179 H HB2 . SER A-2 1 6 . 50.32 13.936 16.273 1 53.82 ? HB2 SER A-2 6 1 
ATOM 1180 H HB3 . SER A-2 1 6 . 50.696 14.41 14.801 1 53.82 ? HB3 SER A-2 6 1 
ATOM 1181 H HG . SER A-2 1 6 . 48.767 15.489 16.254 1 58.9 ? HG SER A-2 6 1 
ATOM 1182 N N . LEU A-2 1 7 . 48.616 13.905 12.522 1 20.91 ? N LEU A-2 7 1 
ATOM 1183 C CA . LEU A-2 1 7 . 47.883 14.414 11.376 1 17.82 ? CA LEU A-2 7 1 
ATOM 1184 C C . LEU A-2 1 7 . 47.291 13.309 10.553 1 15.24 ? C LEU A-2 7 1 
ATOM 1185 O O . LEU A-2 1 7 . 46.157 13.407 10.059 1 15.55 ? O LEU A-2 7 1 
ATOM 1186 C CB . LEU A-2 1 7 . 48.883 15.216 10.575 1 21.87 ? CB LEU A-2 7 1 
ATOM 1187 C CG . LEU A-2 1 7 . 48.53 15.773 9.249 1 32.23 ? CG LEU A-2 7 1 
ATOM 1188 C CD1 . LEU A-2 1 7 . 47.378 16.74 9.47 1 37.58 ? CD1 LEU A-2 7 1 
ATOM 1189 C CD2 . LEU A-2 1 7 . 49.8 16.49 8.797 1 35.21 ? CD2 LEU A-2 7 1 
ATOM 1190 H H . LEU A-2 1 7 . 49.357 13.515 12.324 1 25.1 ? H LEU A-2 7 1 
ATOM 1191 H HA . LEU A-2 1 7 . 47.172 15.003 11.673 1 21.38 ? HA LEU A-2 7 1 
ATOM 1192 H HB2 . LEU A-2 1 7 . 49.151 15.97 11.123 1 26.25 ? HB2 LEU A-2 7 1 
ATOM 1193 H HB3 . LEU A-2 1 7 . 49.657 14.648 10.433 1 26.25 ? HB3 LEU A-2 7 1 
ATOM 1194 H HG . LEU A-2 1 7 . 48.283 15.077 8.621 1 38.68 ? HG LEU A-2 7 1 
ATOM 1195 H HD11 . LEU A-2 1 7 . 46.63 16.256 9.854 1 45.1 ? HD11 LEU A-2 7 1 
ATOM 1196 H HD12 . LEU A-2 1 7 . 47.667 17.44 10.076 1 45.1 ? HD12 LEU A-2 7 1 
ATOM 1197 H HD13 . LEU A-2 1 7 . 47.122 17.124 8.618 1 45.1 ? HD13 LEU A-2 7 1 
ATOM 1198 H HD21 . LEU A-2 1 7 . 50.018 17.182 9.441 1 42.25 ? HD21 LEU A-2 7 1 
ATOM 1199 H HD22 . LEU A-2 1 7 . 50.523 15.847 8.744 1 42.25 ? HD22 LEU A-2 7 1 
ATOM 1200 H HD23 . LEU A-2 1 7 . 49.645 16.886 7.925 1 42.25 ? HD23 LEU A-2 7 1 
ATOM 1201 N N . GLN A-2 1 8 . 48 12.206 10.413 1 14.65 ? N GLN A-2 8 1 
ATOM 1202 C CA . GLN A-2 1 8 . 47.555 11.114 9.586 1 13.73 ? CA GLN A-2 8 1 
ATOM 1203 C C . GLN A-2 1 8 . 46.198 10.559 10.077 1 13.27 ? C GLN A-2 8 1 
ATOM 1204 O O . GLN A-2 1 8 . 45.301 10.333 9.3 1 13.98 ? O GLN A-2 8 1 
ATOM 1205 C CB . GLN A-2 1 8 . 48.609 10.006 9.619 1 13.51 ? CB GLN A-2 8 1 
ATOM 1206 C CG . GLN A-2 1 8 . 48.201 8.834 8.747 1 13.39 ? CG GLN A-2 8 1 
ATOM 1207 C CD . GLN A-2 1 8 . 49.102 7.615 8.828 1 13.61 ? CD GLN A-2 8 1 
ATOM 1208 O OE1 . GLN A-2 1 8 . 48.793 6.604 8.181 1 13.58 ? OE1 GLN A-2 8 1 
ATOM 1209 N NE2 . GLN A-2 1 8 . 50.191 7.685 9.561 1 14.77 ? NE2 GLN A-2 8 1 
ATOM 1210 H H . GLN A-2 1 8 . 48.756 12.067 10.796 1 17.59 ? H GLN A-2 8 1 
ATOM 1211 H HA . GLN A-2 1 8 . 47.454 11.417 8.67 1 16.47 ? HA GLN A-2 8 1 
ATOM 1212 H HB2 . GLN A-2 1 8 . 49.451 10.354 9.287 1 16.22 ? HB2 GLN A-2 8 1 
ATOM 1213 H HB3 . GLN A-2 1 8 . 48.711 9.688 10.53 1 16.22 ? HB3 GLN A-2 8 1 
ATOM 1214 H HG2 . GLN A-2 1 8 . 47.309 8.554 9.008 1 16.06 ? HG2 GLN A-2 8 1 
ATOM 1215 H HG3 . GLN A-2 1 8 . 48.19 9.128 7.823 1 16.06 ? HG3 GLN A-2 8 1 
ATOM 1216 H HE21 . GLN A-2 1 8 . 50.714 7.004 9.619 1 17.72 ? HE21 GLN A-2 8 1 
ATOM 1217 H HE22 . GLN A-2 1 8 . 50.379 8.41 9.982 1 17.72 ? HE22 GLN A-2 8 1 
ATOM 1218 N N . ASP A-2 1 9 . 46.114 10.262 11.364 1 14.81 ? N ASP A-2 9 1 
ATOM 1219 C CA . ASP A-2 1 9 . 44.899 9.661 11.898 1 16.02 ? CA ASP A-2 9 1 
ATOM 1220 C C . ASP A-2 1 9 . 43.679 10.594 11.74 1 15.74 ? C ASP A-2 9 1 
ATOM 1221 O O . ASP A-2 1 9 . 42.671 10.139 11.214 1 16.58 ? O ASP A-2 9 1 
ATOM 1222 C CB . ASP A-2 1 9 . 45.147 9.249 13.348 1 19.19 ? CB ASP A-2 9 1 
ATOM 1223 C CG . ASP A-2 1 9 . 43.936 8.809 14.057 1 22.22 ? CG ASP A-2 9 1 
ATOM 1224 O OD1 . ASP A-2 1 9 . 43.538 7.654 13.917 0.44 22.76 ? OD1 ASP A-2 9 1 
ATOM 1225 O OD2 . ASP A-2 1 9 . 43.367 9.608 14.802 0.37 21.47 ? OD2 ASP A-2 9 1 
ATOM 1226 H H . ASP A-2 1 9 . 46.735 10.395 11.944 1 17.78 ? H ASP A-2 9 1 
ATOM 1227 H HA . ASP A-2 1 9 . 44.711 8.852 11.395 1 19.23 ? HA ASP A-2 9 1 
ATOM 1228 H HB2 . ASP A-2 1 9 . 45.781 8.515 13.36 1 23.02 ? HB2 ASP A-2 9 1 
ATOM 1229 H HB3 . ASP A-2 1 9 . 45.514 10.008 13.829 1 23.02 ? HB3 ASP A-2 9 1 
ATOM 1230 N N . PRO A-2 1 10 . 43.757 11.882 12.119 1 16.43 ? N PRO A-2 10 1 
ATOM 1231 C CA A PRO A-2 1 10 . 42.537 12.675 11.885 0.94 18.58 ? CA PRO A-2 10 1 
ATOM 1232 C CA B PRO A-2 1 10 . 42.557 12.698 11.887 0.06 16.46 ? CA PRO A-2 10 1 
ATOM 1233 C C . PRO A-2 1 10 . 42.196 12.852 10.401 1 16.76 ? C PRO A-2 10 1 
ATOM 1234 O O . PRO A-2 1 10 . 41.021 12.947 10.077 1 16.14 ? O PRO A-2 10 1 
ATOM 1235 C CB A PRO A-2 1 10 . 42.82 14.011 12.604 0.94 22.9 ? CB PRO A-2 10 1 
ATOM 1236 C CB B PRO A-2 1 10 . 42.913 14.049 12.525 0.06 16.72 ? CB PRO A-2 10 1 
ATOM 1237 C CG A PRO A-2 1 10 . 44.232 13.956 12.938 0.94 22.9 ? CG PRO A-2 10 1 
ATOM 1238 C CG B PRO A-2 1 10 . 44.381 14.005 12.768 0.06 16.67 ? CG PRO A-2 10 1 
ATOM 1239 C CD A PRO A-2 1 10 . 44.714 12.567 12.988 0.94 18.61 ? CD PRO A-2 10 1 
ATOM 1240 C CD B PRO A-2 1 10 . 44.761 12.579 12.934 0.06 15.79 ? CD PRO A-2 10 1 
ATOM 1241 H HA A PRO A-2 1 10 . 41.785 12.245 12.322 0.94 22.3 ? HA PRO A-2 10 1 
ATOM 1242 H HA B PRO A-2 1 10 . 41.8 12.315 12.357 0.06 19.75 ? HA PRO A-2 10 1 
ATOM 1243 H HB2 A PRO A-2 1 10 . 42.637 14.753 12.005 0.94 27.48 ? HB2 PRO A-2 10 1 
ATOM 1244 H HB2 B PRO A-2 1 10 . 42.69 14.767 11.912 0.06 20.07 ? HB2 PRO A-2 10 1 
ATOM 1245 H HB3 A PRO A-2 1 10 . 42.278 14.074 13.407 0.94 27.48 ? HB3 PRO A-2 10 1 
ATOM 1246 H HB3 B PRO A-2 1 10 . 42.431 14.15 13.36 0.06 20.07 ? HB3 PRO A-2 10 1 
ATOM 1247 H HG2 A PRO A-2 1 10 . 44.728 14.446 12.264 0.94 27.48 ? HG2 PRO A-2 10 1 
ATOM 1248 H HG2 B PRO A-2 1 10 . 44.844 14.39 12.008 0.06 20 ? HG2 PRO A-2 10 1 
ATOM 1249 H HG3 A PRO A-2 1 10 . 44.36 14.375 13.804 0.94 27.48 ? HG3 PRO A-2 10 1 
ATOM 1250 H HG3 B PRO A-2 1 10 . 44.587 14.504 13.575 0.06 20 ? HG3 PRO A-2 10 1 
ATOM 1251 H HD2 A PRO A-2 1 10 . 45.612 12.502 12.626 0.94 22.33 ? HD2 PRO A-2 10 1 
ATOM 1252 H HD2 B PRO A-2 1 10 . 45.652 12.422 12.584 0.06 18.94 ? HD2 PRO A-2 10 1 
ATOM 1253 H HD3 A PRO A-2 1 10 . 44.664 12.219 13.893 0.94 22.33 ? HD3 PRO A-2 10 1 
ATOM 1254 H HD3 B PRO A-2 1 10 . 44.689 12.313 13.864 0.06 18.94 ? HD3 PRO A-2 10 1 
ATOM 1255 N N . PHE A-2 1 11 . 43.187 12.876 9.51 1 15.25 ? N PHE A-2 11 1 
ATOM 1256 C CA . PHE A-2 1 11 . 42.909 13.011 8.09 1 14.68 ? CA PHE A-2 11 1 
ATOM 1257 C C . PHE A-2 1 11 . 42.186 11.777 7.59 1 13.41 ? C PHE A-2 11 1 
ATOM 1258 O O . PHE A-2 1 11 . 41.165 11.856 6.932 1 14.32 ? O PHE A-2 11 1 
ATOM 1259 C CB . PHE A-2 1 11 . 44.224 13.252 7.33 1 14.91 ? CB PHE A-2 11 1 
ATOM 1260 C CG . PHE A-2 1 11 . 44.009 13.655 5.919 1 15.72 ? CG PHE A-2 11 1 
ATOM 1261 C CD1 . PHE A-2 1 11 . 43.581 14.965 5.61 1 20.17 ? CD1 PHE A-2 11 1 
ATOM 1262 C CD2 . PHE A-2 1 11 . 44.27 12.784 4.88 1 16.55 ? CD2 PHE A-2 11 1 
ATOM 1263 C CE1 . PHE A-2 1 11 . 43.431 15.364 4.29 1 21.93 ? CE1 PHE A-2 11 1 
ATOM 1264 C CE2 . PHE A-2 1 11 . 44.115 13.196 3.501 1 18.03 ? CE2 PHE A-2 11 1 
ATOM 1265 C CZ . PHE A-2 1 11 . 43.706 14.485 3.265 1 19.5 ? CZ PHE A-2 11 1 
ATOM 1266 H H . PHE A-2 1 11 . 44.021 12.817 9.705 1 18.3 ? H PHE A-2 11 1 
ATOM 1267 H HA . PHE A-2 1 11 . 42.333 13.777 7.949 1 17.62 ? HA PHE A-2 11 1 
ATOM 1268 H HB2 . PHE A-2 1 11 . 44.718 13.959 7.772 1 17.89 ? HB2 PHE A-2 11 1 
ATOM 1269 H HB3 . PHE A-2 1 11 . 44.744 12.433 7.332 1 17.89 ? HB3 PHE A-2 11 1 
ATOM 1270 H HD1 . PHE A-2 1 11 . 43.415 15.569 6.297 1 24.2 ? HD1 PHE A-2 11 1 
ATOM 1271 H HD2 . PHE A-2 1 11 . 44.568 11.923 5.069 1 19.85 ? HD2 PHE A-2 11 1 
ATOM 1272 H HE1 . PHE A-2 1 11 . 43.145 16.226 4.097 1 26.31 ? HE1 PHE A-2 11 1 
ATOM 1273 H HE2 . PHE A-2 1 11 . 44.288 12.609 2.8 1 21.64 ? HE2 PHE A-2 11 1 
ATOM 1274 H HZ . PHE A-2 1 11 . 43.577 14.764 2.387 1 23.41 ? HZ PHE A-2 11 1 
ATOM 1275 N N . LEU A-2 1 12 . 42.763 10.606 7.851 1 13.43 ? N LEU A-2 12 1 
ATOM 1276 C CA . LEU A-2 1 12 . 42.103 9.362 7.436 1 13.5 ? CA LEU A-2 12 1 
ATOM 1277 C C . LEU A-2 1 12 . 40.749 9.201 8.093 1 13.15 ? C LEU A-2 12 1 
ATOM 1278 O O . LEU A-2 1 12 . 39.796 8.725 7.429 1 14.08 ? O LEU A-2 12 1 
ATOM 1279 C CB . LEU A-2 1 12 . 42.994 8.154 7.747 1 14.18 ? CB LEU A-2 12 1 
ATOM 1280 C CG . LEU A-2 1 12 . 44.291 8.066 6.918 1 13.82 ? CG LEU A-2 12 1 
ATOM 1281 C CD1 . LEU A-2 1 12 . 45.081 6.893 7.351 1 15.22 ? CD1 LEU A-2 12 1 
ATOM 1282 C CD2 . LEU A-2 1 12 . 44.017 8.041 5.39 1 16.44 ? CD2 LEU A-2 12 1 
ATOM 1283 H H . LEU A-2 1 12 . 43.515 10.502 8.255 1 16.12 ? H LEU A-2 12 1 
ATOM 1284 H HA . LEU A-2 1 12 . 41.963 9.387 6.476 1 16.2 ? HA LEU A-2 12 1 
ATOM 1285 H HB2 . LEU A-2 1 12 . 43.248 8.192 8.682 1 17.01 ? HB2 LEU A-2 12 1 
ATOM 1286 H HB3 . LEU A-2 1 12 . 42.485 7.345 7.581 1 17.01 ? HB3 LEU A-2 12 1 
ATOM 1287 H HG . LEU A-2 1 12 . 44.823 8.855 7.101 1 16.58 ? HG LEU A-2 12 1 
ATOM 1288 H HD11 . LEU A-2 1 12 . 45.301 6.991 8.29 1 18.26 ? HD11 LEU A-2 12 1 
ATOM 1289 H HD12 . LEU A-2 1 12 . 44.553 6.091 7.216 1 18.26 ? HD12 LEU A-2 12 1 
ATOM 1290 H HD13 . LEU A-2 1 12 . 45.893 6.848 6.822 1 18.26 ? HD13 LEU A-2 12 1 
ATOM 1291 H HD21 . LEU A-2 1 12 . 43.551 8.854 5.139 1 19.72 ? HD21 LEU A-2 12 1 
ATOM 1292 H HD22 . LEU A-2 1 12 . 44.862 7.984 4.919 1 19.72 ? HD22 LEU A-2 12 1 
ATOM 1293 H HD23 . LEU A-2 1 12 . 43.469 7.267 5.181 1 19.72 ? HD23 LEU A-2 12 1 
ATOM 1294 N N . ASN A-2 1 13 . 40.632 9.571 9.35 1 13.9 ? N ASN A-2 13 1 
ATOM 1295 C CA . ASN A-2 1 13 . 39.326 9.449 9.986 1 14.79 ? CA ASN A-2 13 1 
ATOM 1296 C C . ASN A-2 1 13 . 38.291 10.365 9.394 1 14.44 ? C ASN A-2 13 1 
ATOM 1297 O O . ASN A-2 1 13 . 37.132 9.981 9.304 1 14.98 ? O ASN A-2 13 1 
ATOM 1298 C CB . ASN A-2 1 13 . 39.477 9.695 11.47 1 17.66 ? CB ASN A-2 13 1 
ATOM 1299 C CG . ASN A-2 1 13 . 38.364 9.109 12.234 1 28.36 ? CG ASN A-2 13 1 
ATOM 1300 O OD1 . ASN A-2 1 13 . 38.116 7.911 12.128 1 31.7 ? OD1 ASN A-2 13 1 
ATOM 1301 N ND2 . ASN A-2 1 13 . 37.666 9.946 13.006 1 31.96 ? ND2 ASN A-2 13 1 
ATOM 1302 H H . ASN A-2 1 13 . 41.261 9.886 9.846 1 16.68 ? H ASN A-2 13 1 
ATOM 1303 H HA . ASN A-2 1 13 . 39.011 8.539 9.871 1 17.75 ? HA ASN A-2 13 1 
ATOM 1304 H HB2 . ASN A-2 1 13 . 40.302 9.292 11.779 1 21.19 ? HB2 ASN A-2 13 1 
ATOM 1305 H HB3 . ASN A-2 1 13 . 39.489 10.651 11.636 1 21.19 ? HB3 ASN A-2 13 1 
ATOM 1306 H HD21 . ASN A-2 1 13 . 37.006 9.651 13.472 1 38.35 ? HD21 ASN A-2 13 1 
ATOM 1307 H HD22 . ASN A-2 1 13 . 37.878 10.779 13.038 1 38.35 ? HD22 ASN A-2 13 1 
ATOM 1308 N N . ALA A-2 1 14 . 38.69 11.557 8.967 1 14.72 ? N ALA A-2 14 1 
ATOM 1309 C CA . ALA A-2 1 14 . 37.755 12.462 8.339 1 15.49 ? CA ALA A-2 14 1 
ATOM 1310 C C . ALA A-2 1 14 . 37.277 11.856 7.013 1 14.26 ? C ALA A-2 14 1 
ATOM 1311 O O . ALA A-2 1 14 . 36.082 11.902 6.706 1 15.89 ? O ALA A-2 14 1 
ATOM 1312 C CB . ALA A-2 1 14 . 38.392 13.809 8.146 1 16.6 ? CB ALA A-2 14 1 
ATOM 1313 H H . ALA A-2 1 14 . 39.492 11.859 9.032 1 17.66 ? H ALA A-2 14 1 
ATOM 1314 H HA . ALA A-2 1 14 . 36.983 12.573 8.916 1 18.59 ? HA ALA A-2 14 1 
ATOM 1315 H HB1 . ALA A-2 1 14 . 38.651 14.162 9.012 1 19.93 ? HB1 ALA A-2 14 1 
ATOM 1316 H HB2 . ALA A-2 1 14 . 39.174 13.71 7.581 1 19.93 ? HB2 ALA A-2 14 1 
ATOM 1317 H HB3 . ALA A-2 1 14 . 37.751 14.402 7.724 1 19.93 ? HB3 ALA A-2 14 1 
ATOM 1318 N N . LEU A-2 1 15 . 38.189 11.298 6.23 1 14.03 ? N LEU A-2 15 1 
ATOM 1319 C CA . LEU A-2 1 15 . 37.81 10.691 4.986 1 14.69 ? CA LEU A-2 15 1 
ATOM 1320 C C . LEU A-2 1 15 . 36.874 9.546 5.212 1 14.5 ? C LEU A-2 15 1 
ATOM 1321 O O . LEU A-2 1 15 . 35.897 9.357 4.461 1 14.99 ? O LEU A-2 15 1 
ATOM 1322 C CB . LEU A-2 1 15 . 39.054 10.227 4.23 1 15.47 ? CB LEU A-2 15 1 
ATOM 1323 C CG . LEU A-2 1 15 . 39.922 11.375 3.744 1 17.7 ? CG LEU A-2 15 1 
ATOM 1324 C CD1 . LEU A-2 1 15 . 41.271 10.821 3.262 1 19.38 ? CD1 LEU A-2 15 1 
ATOM 1325 C CD2 . LEU A-2 1 15 . 39.246 12.23 2.657 1 20.36 ? CD2 LEU A-2 15 1 
ATOM 1326 H H . LEU A-2 1 15 . 39.03 11.261 6.404 1 16.84 ? H LEU A-2 15 1 
ATOM 1327 H HA . LEU A-2 1 15 . 37.353 11.349 4.438 1 17.63 ? HA LEU A-2 15 1 
ATOM 1328 H HB2 . LEU A-2 1 15 . 39.592 9.675 4.819 1 18.56 ? HB2 LEU A-2 15 1 
ATOM 1329 H HB3 . LEU A-2 1 15 . 38.777 9.713 3.456 1 18.56 ? HB3 LEU A-2 15 1 
ATOM 1330 H HG . LEU A-2 1 15 . 40.104 11.958 4.497 1 21.24 ? HG LEU A-2 15 1 
ATOM 1331 H HD11 . LEU A-2 1 15 . 41.821 11.558 2.952 1 23.26 ? HD11 LEU A-2 15 1 
ATOM 1332 H HD12 . LEU A-2 1 15 . 41.708 10.369 4 1 23.26 ? HD12 LEU A-2 15 1 
ATOM 1333 H HD13 . LEU A-2 1 15 . 41.114 10.197 2.536 1 23.26 ? HD13 LEU A-2 15 1 
ATOM 1334 H HD21 . LEU A-2 1 15 . 39.851 12.941 2.393 1 24.43 ? HD21 LEU A-2 15 1 
ATOM 1335 H HD22 . LEU A-2 1 15 . 39.042 11.668 1.894 1 24.43 ? HD22 LEU A-2 15 1 
ATOM 1336 H HD23 . LEU A-2 1 15 . 38.428 12.61 3.017 1 24.43 ? HD23 LEU A-2 15 1 
ATOM 1337 N N . ARG A-2 1 16 . 37.154 8.72 6.207 1 13.56 ? N ARG A-2 16 1 
ATOM 1338 C CA . ARG A-2 1 16 . 36.306 7.577 6.531 1 14 ? CA ARG A-2 16 1 
ATOM 1339 C C . ARG A-2 1 16 . 34.951 8.056 6.993 1 14.32 ? C ARG A-2 16 1 
ATOM 1340 O O . ARG A-2 1 16 . 33.908 7.586 6.492 1 16.03 ? O ARG A-2 16 1 
ATOM 1341 C CB . ARG A-2 1 16 . 36.988 6.784 7.656 1 14.94 ? CB ARG A-2 16 1 
ATOM 1342 C CG . ARG A-2 1 16 . 36.198 5.593 8.068 1 17.06 ? CG ARG A-2 16 1 
ATOM 1343 C CD . ARG A-2 1 16 . 36.739 4.959 9.348 1 20.14 ? CD ARG A-2 16 1 
ATOM 1344 N NE . ARG A-2 1 16 . 36.575 5.887 10.476 1 27.12 ? NE ARG A-2 16 1 
ATOM 1345 C CZ . ARG A-2 1 16 . 35.409 6.184 11.039 1 37.34 ? CZ ARG A-2 16 1 
ATOM 1346 N NH1 . ARG A-2 1 16 . 34.289 5.565 10.642 1 39.8 ? NH1 ARG A-2 16 1 
ATOM 1347 N NH2 . ARG A-2 1 16 . 35.355 7.063 12.033 1 40.18 ? NH2 ARG A-2 16 1 
ATOM 1348 H H . ARG A-2 1 16 . 37.841 8.799 6.719 1 16.27 ? H ARG A-2 16 1 
ATOM 1349 H HA . ARG A-2 1 16 . 36.199 7.006 5.755 1 16.8 ? HA ARG A-2 16 1 
ATOM 1350 H HB2 . ARG A-2 1 16 . 37.856 6.478 7.347 1 17.92 ? HB2 ARG A-2 16 1 
ATOM 1351 H HB3 . ARG A-2 1 16 . 37.095 7.358 8.43 1 17.92 ? HB3 ARG A-2 16 1 
ATOM 1352 H HG2 . ARG A-2 1 16 . 35.28 5.861 8.228 1 20.47 ? HG2 ARG A-2 16 1 
ATOM 1353 H HG3 . ARG A-2 1 16 . 36.233 4.928 7.363 1 20.47 ? HG3 ARG A-2 16 1 
ATOM 1354 H HD2 . ARG A-2 1 16 . 36.245 4.147 9.542 1 24.17 ? HD2 ARG A-2 16 1 
ATOM 1355 H HD3 . ARG A-2 1 16 . 37.684 4.768 9.241 1 24.17 ? HD3 ARG A-2 16 1 
ATOM 1356 H HE . ARG A-2 1 16 . 37.281 6.264 10.792 1 32.55 ? HE ARG A-2 16 1 
ATOM 1357 H HH11 . ARG A-2 1 16 . 34.316 5 9.994 1 47.76 ? HH11 ARG A-2 16 1 
ATOM 1358 H HH12 . ARG A-2 1 16 . 33.538 5.752 11.018 1 47.76 ? HH12 ARG A-2 16 1 
ATOM 1359 H HH21 . ARG A-2 1 16 . 36.073 7.451 12.303 1 48.21 ? HH21 ARG A-2 16 1 
ATOM 1360 H HH22 . ARG A-2 1 16 . 34.603 7.235 12.415 1 48.21 ? HH22 ARG A-2 16 1 
ATOM 1361 N N . ARG A-2 1 17 . 34.889 8.964 7.965 1 15.46 ? N ARG A-2 17 1 
ATOM 1362 C CA . ARG A-2 1 17 . 33.645 9.408 8.539 1 18.16 ? CA ARG A-2 17 1 
ATOM 1363 C C . ARG A-2 1 17 . 32.751 10.069 7.479 1 18.03 ? C ARG A-2 17 1 
ATOM 1364 O O . ARG A-2 1 17 . 31.533 9.855 7.429 1 19.82 ? O ARG A-2 17 1 
ATOM 1365 C CB . ARG A-2 1 17 . 33.961 10.415 9.65 1 22.42 ? CB ARG A-2 17 1 
ATOM 1366 C CG . ARG A-2 1 17 . 32.753 11.073 10.307 1 31.87 ? CG ARG A-2 17 1 
ATOM 1367 C CD . ARG A-2 1 17 . 33.196 12.203 11.237 1 40.81 ? CD ARG A-2 17 1 
ATOM 1368 N NE . ARG A-2 1 17 . 33.712 13.358 10.501 1 50.12 ? NE ARG A-2 17 1 
ATOM 1369 C CZ . ARG A-2 1 17 . 34.95 13.851 10.617 1 55.05 ? CZ ARG A-2 17 1 
ATOM 1370 N NH1 . ARG A-2 1 17 . 35.836 13.315 11.462 1 53.28 ? NH1 ARG A-2 17 1 
ATOM 1371 N NH2 . ARG A-2 1 17 . 35.307 14.904 9.883 1 58.26 ? NH2 ARG A-2 17 1 
ATOM 1372 H H . ARG A-2 1 17 . 35.58 9.344 8.31 1 18.56 ? H ARG A-2 17 1 
ATOM 1373 H HA . ARG A-2 1 17 . 33.17 8.653 8.923 1 21.79 ? HA ARG A-2 17 1 
ATOM 1374 H HB2 . ARG A-2 1 17 . 34.456 9.956 10.347 1 26.91 ? HB2 ARG A-2 17 1 
ATOM 1375 H HB3 . ARG A-2 1 17 . 34.509 11.122 9.275 1 26.91 ? HB3 ARG A-2 17 1 
ATOM 1376 H HG2 . ARG A-2 1 17 . 32.178 11.448 9.622 1 38.25 ? HG2 ARG A-2 17 1 
ATOM 1377 H HG3 . ARG A-2 1 17 . 32.272 10.414 10.831 1 38.25 ? HG3 ARG A-2 17 1 
ATOM 1378 H HD2 . ARG A-2 1 17 . 32.435 12.497 11.763 1 48.97 ? HD2 ARG A-2 17 1 
ATOM 1379 H HD3 . ARG A-2 1 17 . 33.899 11.878 11.82 1 48.97 ? HD3 ARG A-2 17 1 
ATOM 1380 H HE . ARG A-2 1 17 . 33.179 13.75 9.951 1 60.14 ? HE ARG A-2 17 1 
ATOM 1381 H HH11 . ARG A-2 1 17 . 35.617 12.633 11.939 1 63.94 ? HH11 ARG A-2 17 1 
ATOM 1382 H HH12 . ARG A-2 1 17 . 36.626 13.647 11.524 1 63.94 ? HH12 ARG A-2 17 1 
ATOM 1383 H HH21 . ARG A-2 1 17 . 34.743 15.26 9.339 1 69.91 ? HH21 ARG A-2 17 1 
ATOM 1384 H HH22 . ARG A-2 1 17 . 36.099 15.231 9.957 1 69.91 ? HH22 ARG A-2 17 1 
ATOM 1385 N N . GLU A-2 1 18 . 33.35 10.883 6.633 1 17.94 ? N GLU A-2 18 1 
ATOM 1386 C CA . GLU A-2 1 18 . 32.581 11.612 5.617 1 21.59 ? CA GLU A-2 18 1 
ATOM 1387 C C . GLU A-2 1 18 . 32.299 10.827 4.33 1 30.17 ? C GLU A-2 18 1 
ATOM 1388 O O . GLU A-2 1 18 . 31.57 11.289 3.423 1 21.22 ? O GLU A-2 18 1 
ATOM 1389 C CB . GLU A-2 1 18 . 33.255 12.971 5.318 1 26.66 ? CB GLU A-2 18 1 
ATOM 1390 C CG . GLU A-2 1 18 . 33.469 13.843 6.601 1 31.03 ? CG GLU A-2 18 1 
ATOM 1391 C CD . GLU A-2 1 18 . 33.155 15.315 6.443 1 34.78 ? CD GLU A-2 18 1 
ATOM 1392 O OE1 . GLU A-2 1 18 . 33.178 16.01 7.475 0.28 34.49 ? OE1 GLU A-2 18 1 
ATOM 1393 O OE2 . GLU A-2 1 18 . 32.908 15.777 5.313 0.52 37.51 ? OE2 GLU A-2 18 1 
ATOM 1394 H H . GLU A-2 1 18 . 34.196 11.038 6.617 1 21.53 ? H GLU A-2 18 1 
ATOM 1395 H HA . GLU A-2 1 18 . 31.715 11.816 6.004 1 25.9 ? HA GLU A-2 18 1 
ATOM 1396 H HB2 . GLU A-2 1 18 . 34.122 12.81 4.916 1 32 ? HB2 GLU A-2 18 1 
ATOM 1397 H HB3 . GLU A-2 1 18 . 32.694 13.473 4.706 1 32 ? HB3 GLU A-2 18 1 
ATOM 1398 H HG2 . GLU A-2 1 18 . 32.901 13.498 7.306 1 37.23 ? HG2 GLU A-2 18 1 
ATOM 1399 H HG3 . GLU A-2 1 18 . 34.399 13.77 6.869 1 37.23 ? HG3 GLU A-2 18 1 
ATOM 1400 N N . ARG A-2 1 19 . 32.878 9.623 4.285 1 53.47 ? N ARG A-2 19 1 
ATOM 1401 C CA . ARG A-2 1 19 . 32.67 8.691 3.183 1 57.88 ? CA ARG A-2 19 1 
ATOM 1402 C C . ARG A-2 1 19 . 33.073 9.314 1.859 1 20.77 ? C ARG A-2 19 1 
ATOM 1403 O O . ARG A-2 1 19 . 32.519 9.026 0.805 1 17.23 ? O ARG A-2 19 1 
ATOM 1404 C CB . ARG A-2 1 19 . 31.228 8.213 3.159 1 42.32 ? CB ARG A-2 19 1 
ATOM 1405 C CG . ARG A-2 1 19 . 30.836 7.514 4.453 1 28.97 ? CG ARG A-2 19 1 
ATOM 1406 C CD . ARG A-2 1 19 . 29.386 7.129 4.447 1 28.43 ? CD ARG A-2 19 1 
ATOM 1407 N NE . ARG A-2 1 19 . 29.006 6.518 5.72 1 31.43 ? NE ARG A-2 19 1 
ATOM 1408 C CZ . ARG A-2 1 19 . 28.499 5.292 5.839 1 36.91 ? CZ ARG A-2 19 1 
ATOM 1409 N NH1 . ARG A-2 1 19 . 28.327 4.53 4.766 1 38.29 ? NH1 ARG A-2 19 1 
ATOM 1410 N NH2 . ARG A-2 1 19 . 28.169 4.837 7.034 1 38.48 ? NH2 ARG A-2 19 1 
ATOM 1411 H H . ARG A-2 1 19 . 33.404 9.322 4.895 1 64.16 ? H ARG A-2 19 1 
ATOM 1412 H HA . ARG A-2 1 19 . 33.234 7.915 3.325 1 69.45 ? HA ARG A-2 19 1 
ATOM 1413 H HB2 . ARG A-2 1 19 . 30.641 8.976 3.038 1 50.78 ? HB2 ARG A-2 19 1 
ATOM 1414 H HB3 . ARG A-2 1 19 . 31.113 7.585 2.429 1 50.78 ? HB3 ARG A-2 19 1 
ATOM 1415 H HG2 . ARG A-2 1 19 . 31.364 6.707 4.554 1 34.77 ? HG2 ARG A-2 19 1 
ATOM 1416 H HG3 . ARG A-2 1 19 . 30.989 8.113 5.2 1 34.77 ? HG3 ARG A-2 19 1 
ATOM 1417 H HD2 . ARG A-2 1 19 . 28.842 7.921 4.313 1 34.11 ? HD2 ARG A-2 19 1 
ATOM 1418 H HD3 . ARG A-2 1 19 . 29.226 6.486 3.739 1 34.11 ? HD3 ARG A-2 19 1 
ATOM 1419 H HE . ARG A-2 1 19 . 29.079 6.995 6.432 1 37.71 ? HE ARG A-2 19 1 
ATOM 1420 H HH11 . ARG A-2 1 19 . 28.537 4.83 3.988 1 45.94 ? HH11 ARG A-2 19 1 
ATOM 1421 H HH12 . ARG A-2 1 19 . 28.002 3.738 4.848 1 45.94 ? HH12 ARG A-2 19 1 
ATOM 1422 H HH21 . ARG A-2 1 19 . 28.286 5.33 7.728 1 46.18 ? HH21 ARG A-2 19 1 
ATOM 1423 H HH22 . ARG A-2 1 19 . 27.849 4.043 7.119 1 46.18 ? HH22 ARG A-2 19 1 
ATOM 1424 N N . VAL A-2 1 20 . 34.175 10.081 1.918 1 16.45 ? N VAL A-2 20 1 
ATOM 1425 C CA . VAL A-2 1 20 . 34.618 10.809 0.757 1 16.99 ? CA VAL A-2 20 1 
ATOM 1426 C C . VAL A-2 1 20 . 35.321 9.858 -0.224 1 15.76 ? C VAL A-2 20 1 
ATOM 1427 O O . VAL A-2 1 20 . 36.249 9.16 0.174 1 17.74 ? O VAL A-2 20 1 
ATOM 1428 C CB . VAL A-2 1 20 . 35.587 11.932 1.196 1 20.14 ? CB VAL A-2 20 1 
ATOM 1429 C CG1 . VAL A-2 1 20 . 36.148 12.679 0.02 1 20.23 ? CG1 VAL A-2 20 1 
ATOM 1430 C CG2 . VAL A-2 1 20 . 34.883 12.841 2.151 1 24.49 ? CG2 VAL A-2 20 1 
ATOM 1431 H H . VAL A-2 1 20 . 34.666 10.184 2.616 1 19.73 ? H VAL A-2 20 1 
ATOM 1432 H HA . VAL A-2 1 20 . 33.857 11.21 0.31 1 20.39 ? HA VAL A-2 20 1 
ATOM 1433 H HB . VAL A-2 1 20 . 36.332 11.531 1.67 1 24.16 ? HB VAL A-2 20 1 
ATOM 1434 H HG11 . VAL A-2 1 20 . 36.748 13.37 0.342 1 24.27 ? HG11 VAL A-2 20 1 
ATOM 1435 H HG12 . VAL A-2 1 20 . 36.633 12.057 -0.545 1 24.27 ? HG12 VAL A-2 20 1 
ATOM 1436 H HG13 . VAL A-2 1 20 . 35.419 13.079 -0.477 1 24.27 ? HG13 VAL A-2 20 1 
ATOM 1437 H HG21 . VAL A-2 1 20 . 35.492 13.544 2.425 1 29.39 ? HG21 VAL A-2 20 1 
ATOM 1438 H HG22 . VAL A-2 1 20 . 34.11 13.226 1.708 1 29.39 ? HG22 VAL A-2 20 1 
ATOM 1439 H HG23 . VAL A-2 1 20 . 34.6 12.327 2.924 1 29.39 ? HG23 VAL A-2 20 1 
ATOM 1440 N N . PRO A-2 1 21 . 34.95 9.842 -1.494 1 15.57 ? N PRO A-2 21 1 
ATOM 1441 C CA . PRO A-2 1 21 . 35.73 9.049 -2.465 1 15.95 ? CA PRO A-2 21 1 
ATOM 1442 C C . PRO A-2 1 21 . 37.166 9.526 -2.486 1 14.66 ? C PRO A-2 21 1 
ATOM 1443 O O . PRO A-2 1 21 . 37.401 10.759 -2.457 1 15.54 ? O PRO A-2 21 1 
ATOM 1444 C CB . PRO A-2 1 21 . 35.02 9.284 -3.797 1 18.43 ? CB PRO A-2 21 1 
ATOM 1445 C CG . PRO A-2 1 21 . 33.588 9.602 -3.38 1 20.03 ? CG PRO A-2 21 1 
ATOM 1446 C CD . PRO A-2 1 21 . 33.767 10.451 -2.109 1 17.26 ? CD PRO A-2 21 1 
ATOM 1447 H HA . PRO A-2 1 21 . 35.701 8.106 -2.24 1 19.14 ? HA PRO A-2 21 1 
ATOM 1448 H HB2 . PRO A-2 1 21 . 35.422 10.034 -4.26 1 22.11 ? HB2 PRO A-2 21 1 
ATOM 1449 H HB3 . PRO A-2 1 21 . 35.054 8.479 -4.337 1 22.11 ? HB3 PRO A-2 21 1 
ATOM 1450 H HG2 . PRO A-2 1 21 . 33.144 10.11 -4.078 1 24.03 ? HG2 PRO A-2 21 1 
ATOM 1451 H HG3 . PRO A-2 1 21 . 33.109 8.782 -3.186 1 24.03 ? HG3 PRO A-2 21 1 
ATOM 1452 H HD2 . PRO A-2 1 21 . 33.94 11.377 -2.338 1 20.71 ? HD2 PRO A-2 21 1 
ATOM 1453 H HD3 . PRO A-2 1 21 . 32.996 10.362 -1.527 1 20.71 ? HD3 PRO A-2 21 1 
ATOM 1454 N N . VAL A-2 1 22 . 38.118 8.609 -2.504 1 13.99 ? N VAL A-2 22 1 
ATOM 1455 C CA . VAL A-2 1 22 . 39.515 8.962 -2.537 1 13.76 ? CA VAL A-2 22 1 
ATOM 1456 C C . VAL A-2 1 22 . 40.204 8.189 -3.624 1 13.13 ? C VAL A-2 22 1 
ATOM 1457 O O . VAL A-2 1 22 . 39.741 7.133 -4.088 1 14.6 ? O VAL A-2 22 1 
ATOM 1458 C CB . VAL A-2 1 22 . 40.252 8.628 -1.209 1 15.29 ? CB VAL A-2 22 1 
ATOM 1459 C CG1 . VAL A-2 1 22 . 39.662 9.383 -0.034 1 17.78 ? CG1 VAL A-2 22 1 
ATOM 1460 C CG2 . VAL A-2 1 22 . 40.273 7.121 -0.899 1 17.03 ? CG2 VAL A-2 22 1 
ATOM 1461 H H . VAL A-2 1 22 . 37.973 7.762 -2.497 1 16.79 ? H VAL A-2 22 1 
ATOM 1462 H HA . VAL A-2 1 22 . 39.611 9.911 -2.718 1 16.51 ? HA VAL A-2 22 1 
ATOM 1463 H HB . VAL A-2 1 22 . 41.174 8.913 -1.297 1 18.35 ? HB VAL A-2 22 1 
ATOM 1464 H HG11 . VAL A-2 1 22 . 38.929 9.935 -0.35 1 21.33 ? HG11 VAL A-2 22 1 
ATOM 1465 H HG12 . VAL A-2 1 22 . 39.337 8.745 0.62 1 21.33 ? HG12 VAL A-2 22 1 
ATOM 1466 H HG13 . VAL A-2 1 22 . 40.35 9.941 0.36 1 21.33 ? HG13 VAL A-2 22 1 
ATOM 1467 H HG21 . VAL A-2 1 22 . 39.811 6.646 -1.607 1 20.44 ? HG21 VAL A-2 22 1 
ATOM 1468 H HG22 . VAL A-2 1 22 . 41.194 6.823 -0.846 1 20.44 ? HG22 VAL A-2 22 1 
ATOM 1469 H HG23 . VAL A-2 1 22 . 39.827 6.968 -0.051 1 20.44 ? HG23 VAL A-2 22 1 
ATOM 1470 N N . SER A-2 1 23 . 41.352 8.736 -4.005 1 13.27 ? N SER A-2 23 1 
ATOM 1471 C CA . SER A-2 1 23 . 42.315 8.037 -4.839 1 13.78 ? CA SER A-2 23 1 
ATOM 1472 C C . SER A-2 1 23 . 43.522 7.718 -3.956 1 12.9 ? C SER A-2 23 1 
ATOM 1473 O O . SER A-2 1 23 . 44.038 8.591 -3.271 1 14.64 ? O SER A-2 23 1 
ATOM 1474 C CB . SER A-2 1 23 . 42.727 8.888 -6.025 1 15.99 ? CB SER A-2 23 1 
ATOM 1475 O OG . SER A-2 1 23 . 41.611 9.146 -6.852 1 18.21 ? OG SER A-2 23 1 
ATOM 1476 H H . SER A-2 1 23 . 41.598 9.531 -3.788 1 15.93 ? H SER A-2 23 1 
ATOM 1477 H HA . SER A-2 1 23 . 41.933 7.207 -5.164 1 16.53 ? HA SER A-2 23 1 
ATOM 1478 H HB2 . SER A-2 1 23 . 43.085 9.73 -5.702 1 19.18 ? HB2 SER A-2 23 1 
ATOM 1479 H HB3 . SER A-2 1 23 . 43.4 8.414 -6.538 1 19.18 ? HB3 SER A-2 23 1 
ATOM 1480 H HG . SER A-2 1 23 . 41.842 9.617 -7.507 1 21.85 ? HG SER A-2 23 1 
ATOM 1481 N N . ILE A-2 1 24 . 43.95 6.476 -3.989 1 12.81 ? N ILE A-2 24 1 
ATOM 1482 C CA . ILE A-2 1 24 . 45.162 6.029 -3.286 1 12.89 ? CA ILE A-2 24 1 
ATOM 1483 C C . ILE A-2 1 24 . 46.157 5.651 -4.359 1 12.51 ? C ILE A-2 24 1 
ATOM 1484 O O . ILE A-2 1 24 . 45.949 4.699 -5.111 1 14.21 ? O ILE A-2 24 1 
ATOM 1485 C CB . ILE A-2 1 24 . 44.862 4.883 -2.335 1 12.76 ? CB ILE A-2 24 1 
ATOM 1486 C CG1 . ILE A-2 1 24 . 43.866 5.31 -1.261 1 15.24 ? CG1 ILE A-2 24 1 
ATOM 1487 C CG2 . ILE A-2 1 24 . 46.159 4.379 -1.71 1 14.36 ? CG2 ILE A-2 24 1 
ATOM 1488 C CD1 . ILE A-2 1 24 . 43.622 4.307 -0.159 1 16.6 ? CD1 ILE A-2 24 1 
ATOM 1489 H H . ILE A-2 1 24 . 43.554 5.846 -4.421 1 15.37 ? H ILE A-2 24 1 
ATOM 1490 H HA . ILE A-2 1 24 . 45.528 6.765 -2.772 1 15.47 ? HA ILE A-2 24 1 
ATOM 1491 H HB . ILE A-2 1 24 . 44.467 4.159 -2.846 1 15.31 ? HB ILE A-2 24 1 
ATOM 1492 H HG12 . ILE A-2 1 24 . 44.193 6.124 -0.846 1 18.28 ? HG12 ILE A-2 24 1 
ATOM 1493 H HG13 . ILE A-2 1 24 . 43.012 5.487 -1.687 1 18.28 ? HG13 ILE A-2 24 1 
ATOM 1494 H HG21 . ILE A-2 1 24 . 46.577 5.106 -1.221 1 17.23 ? HG21 ILE A-2 24 1 
ATOM 1495 H HG22 . ILE A-2 1 24 . 45.954 3.649 -1.105 1 17.23 ? HG22 ILE A-2 24 1 
ATOM 1496 H HG23 . ILE A-2 1 24 . 46.75 4.07 -2.414 1 17.23 ? HG23 ILE A-2 24 1 
ATOM 1497 H HD11 . ILE A-2 1 24 . 44.46 4.128 0.295 1 19.92 ? HD11 ILE A-2 24 1 
ATOM 1498 H HD12 . ILE A-2 1 24 . 42.978 4.675 0.466 1 19.92 ? HD12 ILE A-2 24 1 
ATOM 1499 H HD13 . ILE A-2 1 24 . 43.275 3.489 -0.549 1 19.92 ? HD13 ILE A-2 24 1 
ATOM 1500 N N . TYR A-2 1 25 . 47.244 6.41 -4.432 1 12.6 ? N TYR A-2 25 1 
ATOM 1501 C CA . TYR A-2 1 25 . 48.297 6.152 -5.394 1 12.9 ? CA TYR A-2 25 1 
ATOM 1502 C C . TYR A-2 1 25 . 49.359 5.311 -4.744 1 12.27 ? C TYR A-2 25 1 
ATOM 1503 O O . TYR A-2 1 25 . 49.825 5.64 -3.661 1 16.16 ? O TYR A-2 25 1 
ATOM 1504 C CB . TYR A-2 1 25 . 48.886 7.463 -5.881 1 14.57 ? CB TYR A-2 25 1 
ATOM 1505 C CG . TYR A-2 1 25 . 47.882 8.282 -6.644 1 16.38 ? CG TYR A-2 25 1 
ATOM 1506 C CD1 . TYR A-2 1 25 . 47.918 8.294 -8.029 1 22.07 ? CD1 TYR A-2 25 1 
ATOM 1507 C CD2 . TYR A-2 1 25 . 47.009 9.142 -6.026 1 15.8 ? CD2 TYR A-2 25 1 
ATOM 1508 C CE1 . TYR A-2 1 25 . 47.02 9.055 -8.772 1 22.61 ? CE1 TYR A-2 25 1 
ATOM 1509 C CE2 . TYR A-2 1 25 . 46.057 9.892 -6.759 1 18.33 ? CE2 TYR A-2 25 1 
ATOM 1510 C CZ . TYR A-2 1 25 . 46.067 9.818 -8.112 1 20.73 ? CZ TYR A-2 25 1 
ATOM 1511 O OH . TYR A-2 1 25 . 45.171 10.553 -8.869 1 24.78 ? OH TYR A-2 25 1 
ATOM 1512 H H . TYR A-2 1 25 . 47.394 7.089 -3.926 1 15.12 ? H TYR A-2 25 1 
ATOM 1513 H HA . TYR A-2 1 25 . 47.938 5.669 -6.154 1 15.49 ? HA TYR A-2 25 1 
ATOM 1514 H HB2 . TYR A-2 1 25 . 49.183 7.982 -5.118 1 17.49 ? HB2 TYR A-2 25 1 
ATOM 1515 H HB3 . TYR A-2 1 25 . 49.634 7.276 -6.47 1 17.49 ? HB3 TYR A-2 25 1 
ATOM 1516 H HD1 . TYR A-2 1 25 . 48.52 7.741 -8.472 1 26.48 ? HD1 TYR A-2 25 1 
ATOM 1517 H HD2 . TYR A-2 1 25 . 46.965 9.147 -5.097 1 18.97 ? HD2 TYR A-2 25 1 
ATOM 1518 H HE1 . TYR A-2 1 25 . 47.018 9.002 -9.701 1 27.13 ? HE1 TYR A-2 25 1 
ATOM 1519 H HE2 . TYR A-2 1 25 . 45.437 10.428 -6.319 1 21.99 ? HE2 TYR A-2 25 1 
ATOM 1520 H HH . TYR A-2 1 25 . 45.326 10.439 -9.687 1 29.74 ? HH TYR A-2 25 1 
ATOM 1521 N N . LEU A-2 1 26 . 49.723 4.219 -5.357 1 12.73 ? N LEU A-2 26 1 
ATOM 1522 C CA . LEU A-2 1 26 . 50.738 3.317 -4.852 1 12.91 ? CA LEU A-2 26 1 
ATOM 1523 C C . LEU A-2 1 26 . 52.094 3.676 -5.375 1 12.93 ? C LEU A-2 26 1 
ATOM 1524 O O . LEU A-2 1 26 . 52.26 4.309 -6.435 1 14.71 ? O LEU A-2 26 1 
ATOM 1525 C CB . LEU A-2 1 26 . 50.392 1.881 -5.205 1 13.45 ? CB LEU A-2 26 1 
ATOM 1526 C CG . LEU A-2 1 26 . 49.026 1.39 -4.815 1 14.26 ? CG LEU A-2 26 1 
ATOM 1527 C CD1 . LEU A-2 1 26 . 48.863 -0.077 -5.122 1 17.71 ? CD1 LEU A-2 26 1 
ATOM 1528 C CD2 . LEU A-2 1 26 . 48.763 1.68 -3.286 1 16.44 ? CD2 LEU A-2 26 1 
ATOM 1529 H H . LEU A-2 1 26 . 49.385 3.961 -6.104 1 15.27 ? H LEU A-2 26 1 
ATOM 1530 H HA . LEU A-2 1 26 . 50.765 3.386 -3.885 1 15.49 ? HA LEU A-2 26 1 
ATOM 1531 H HB2 . LEU A-2 1 26 . 50.467 1.781 -6.167 1 16.13 ? HB2 LEU A-2 26 1 
ATOM 1532 H HB3 . LEU A-2 1 26 . 51.038 1.301 -4.773 1 16.13 ? HB3 LEU A-2 26 1 
ATOM 1533 H HG . LEU A-2 1 26 . 48.361 1.876 -5.328 1 17.11 ? HG LEU A-2 26 1 
ATOM 1534 H HD11 . LEU A-2 1 26 . 49.528 -0.578 -4.627 1 21.26 ? HD11 LEU A-2 26 1 
ATOM 1535 H HD12 . LEU A-2 1 26 . 47.973 -0.358 -4.858 1 21.26 ? HD12 LEU A-2 26 1 
ATOM 1536 H HD13 . LEU A-2 1 26 . 48.985 -0.215 -6.075 1 21.26 ? HD13 LEU A-2 26 1 
ATOM 1537 H HD21 . LEU A-2 1 26 . 49.433 1.221 -2.758 1 19.73 ? HD21 LEU A-2 26 1 
ATOM 1538 H HD22 . LEU A-2 1 26 . 48.818 2.637 -3.132 1 19.73 ? HD22 LEU A-2 26 1 
ATOM 1539 H HD23 . LEU A-2 1 26 . 47.878 1.358 -3.052 1 19.73 ? HD23 LEU A-2 26 1 
ATOM 1540 N N . VAL A-2 1 27 . 53.108 3.266 -4.645 1 13.67 ? N VAL A-2 27 1 
ATOM 1541 C CA . VAL A-2 1 27 . 54.486 3.568 -5.023 1 14.61 ? CA VAL A-2 27 1 
ATOM 1542 C C . VAL A-2 1 27 . 54.824 2.972 -6.412 1 15.34 ? C VAL A-2 27 1 
ATOM 1543 O O . VAL A-2 1 27 . 55.578 3.522 -7.16 1 20.22 ? O VAL A-2 27 1 
ATOM 1544 C CB . VAL A-2 1 27 . 55.47 3.117 -3.943 1 15.92 ? CB VAL A-2 27 1 
ATOM 1545 C CG1 . VAL A-2 1 27 . 55.261 3.925 -2.67 1 17.55 ? CG1 VAL A-2 27 1 
ATOM 1546 C CG2 . VAL A-2 1 27 . 55.404 1.615 -3.654 1 20.58 ? CG2 VAL A-2 27 1 
ATOM 1547 H H . VAL A-2 1 27 . 53.033 2.81 -3.92 1 16.41 ? H VAL A-2 27 1 
ATOM 1548 H HA . VAL A-2 1 27 . 54.572 4.531 -5.1 1 17.53 ? HA VAL A-2 27 1 
ATOM 1549 H HB . VAL A-2 1 27 . 56.367 3.307 -4.257 1 19.11 ? HB VAL A-2 27 1 
ATOM 1550 H HG11 . VAL A-2 1 27 . 55.893 3.625 -1.998 1 21.06 ? HG11 VAL A-2 27 1 
ATOM 1551 H HG12 . VAL A-2 1 27 . 55.406 4.864 -2.865 1 21.06 ? HG12 VAL A-2 27 1 
ATOM 1552 H HG13 . VAL A-2 1 27 . 54.353 3.789 -2.355 1 21.06 ? HG13 VAL A-2 27 1 
ATOM 1553 H HG21 . VAL A-2 1 27 . 56.049 1.399 -2.963 1 24.7 ? HG21 VAL A-2 27 1 
ATOM 1554 H HG22 . VAL A-2 1 27 . 54.509 1.392 -3.353 1 24.7 ? HG22 VAL A-2 27 1 
ATOM 1555 H HG23 . VAL A-2 1 27 . 55.611 1.129 -4.467 1 24.7 ? HG23 VAL A-2 27 1 
ATOM 1556 N N . ASN A-2 1 28 . 54.177 1.918 -6.799 1 14.21 ? N ASN A-2 28 1 
ATOM 1557 C CA . ASN A-2 1 28 . 54.435 1.293 -8.115 1 15.41 ? CA ASN A-2 28 1 
ATOM 1558 C C . ASN A-2 1 28 . 53.63 1.894 -9.263 1 16.03 ? C ASN A-2 28 1 
ATOM 1559 O O . ASN A-2 1 28 . 53.746 1.396 -10.38 1 17.78 ? O ASN A-2 28 1 
ATOM 1560 C CB . ASN A-2 1 28 . 54.2 -0.172 -8.047 1 16.33 ? CB ASN A-2 28 1 
ATOM 1561 C CG . ASN A-2 1 28 . 52.74 -0.54 -7.78 1 16.79 ? CG ASN A-2 28 1 
ATOM 1562 O OD1 . ASN A-2 1 28 . 51.828 0.295 -7.871 1 16.82 ? OD1 ASN A-2 28 1 
ATOM 1563 N ND2 . ASN A-2 1 28 . 52.504 -1.822 -7.442 1 18.73 ? ND2 ASN A-2 28 1 
ATOM 1564 H H . ASN A-2 1 28 . 53.573 1.521 -6.334 1 17.05 ? H ASN A-2 28 1 
ATOM 1565 H HA . ASN A-2 1 28 . 55.372 1.422 -8.328 1 18.49 ? HA ASN A-2 28 1 
ATOM 1566 H HB2 . ASN A-2 1 28 . 54.459 -0.571 -8.892 1 19.6 ? HB2 ASN A-2 28 1 
ATOM 1567 H HB3 . ASN A-2 1 28 . 54.738 -0.543 -7.329 1 19.6 ? HB3 ASN A-2 28 1 
ATOM 1568 H HD21 . ASN A-2 1 28 . 51.7 -2.084 -7.281 1 22.47 ? HD21 ASN A-2 28 1 
ATOM 1569 H HD22 . ASN A-2 1 28 . 53.156 -2.38 -7.387 1 22.47 ? HD22 ASN A-2 28 1 
ATOM 1570 N N . GLY A-2 1 29 . 52.913 2.97 -8.993 1 16.16 ? N GLY A-2 29 1 
ATOM 1571 C CA . GLY A-2 1 29 . 52.247 3.721 -10.019 1 18.2 ? CA GLY A-2 29 1 
ATOM 1572 C C . GLY A-2 1 29 . 50.8 3.396 -10.205 1 18.41 ? C GLY A-2 29 1 
ATOM 1573 O O . GLY A-2 1 29 . 50.144 4.099 -10.933 1 22.58 ? O GLY A-2 29 1 
ATOM 1574 H H . GLY A-2 1 29 . 52.798 3.286 -8.202 1 19.39 ? H GLY A-2 29 1 
ATOM 1575 H HA2 . GLY A-2 1 29 . 52.314 4.666 -9.81 1 21.84 ? HA2 GLY A-2 29 1 
ATOM 1576 H HA3 . GLY A-2 1 29 . 52.698 3.568 -10.863 1 21.84 ? HA3 GLY A-2 29 1 
ATOM 1577 N N . ILE A-2 1 30 . 50.292 2.364 -9.545 1 16.66 ? N ILE A-2 30 1 
ATOM 1578 C CA . ILE A-2 1 30 . 48.883 2.051 -9.634 1 16.63 ? CA ILE A-2 30 1 
ATOM 1579 C C . ILE A-2 1 30 . 48.073 3.031 -8.863 1 15.78 ? C ILE A-2 30 1 
ATOM 1580 O O . ILE A-2 1 30 . 48.44 3.442 -7.776 1 17.66 ? O ILE A-2 30 1 
ATOM 1581 C CB . ILE A-2 1 30 . 48.663 0.655 -9.125 1 17.79 ? CB ILE A-2 30 1 
ATOM 1582 C CG1 . ILE A-2 1 30 . 49.363 -0.348 -10.066 1 21.3 ? CG1 ILE A-2 30 1 
ATOM 1583 C CG2 . ILE A-2 1 30 . 47.193 0.335 -8.916 1 21.12 ? CG2 ILE A-2 30 1 
ATOM 1584 C CD1 . ILE A-2 1 30 . 49.301 -1.796 -9.633 1 24.57 ? CD1 ILE A-2 30 1 
ATOM 1585 H H . ILE A-2 1 30 . 50.743 1.833 -9.041 1 19.99 ? H ILE A-2 30 1 
ATOM 1586 H HA . ILE A-2 1 30 . 48.603 2.087 -10.562 1 19.96 ? HA ILE A-2 30 1 
ATOM 1587 H HB . ILE A-2 1 30 . 49.097 0.592 -8.26 1 21.34 ? HB ILE A-2 30 1 
ATOM 1588 H HG12 . ILE A-2 1 30 . 48.951 -0.287 -10.942 1 25.56 ? HG12 ILE A-2 30 1 
ATOM 1589 H HG13 . ILE A-2 1 30 . 50.3 -0.104 -10.132 1 25.56 ? HG13 ILE A-2 30 1 
ATOM 1590 H HG21 . ILE A-2 1 30 . 46.727 0.426 -9.762 1 25.34 ? HG21 ILE A-2 30 1 
ATOM 1591 H HG22 . ILE A-2 1 30 . 47.112 -0.574 -8.588 1 25.34 ? HG22 ILE A-2 30 1 
ATOM 1592 H HG23 . ILE A-2 1 30 . 46.824 0.955 -8.267 1 25.34 ? HG23 ILE A-2 30 1 
ATOM 1593 H HD11 . ILE A-2 1 30 . 49.725 -1.884 -8.765 1 29.49 ? HD11 ILE A-2 30 1 
ATOM 1594 H HD12 . ILE A-2 1 30 . 48.372 -2.068 -9.577 1 29.49 ? HD12 ILE A-2 30 1 
ATOM 1595 H HD13 . ILE A-2 1 30 . 49.767 -2.341 -10.286 1 29.49 ? HD13 ILE A-2 30 1 
ATOM 1596 N N . LYS A-2 1 31 . 46.912 3.349 -9.384 1 16.58 ? N LYS A-2 31 1 
ATOM 1597 C CA . LYS A-2 1 31 . 45.901 4.163 -8.751 1 16.83 ? CA LYS A-2 31 1 
ATOM 1598 C C . LYS A-2 1 31 . 44.726 3.336 -8.307 1 15.34 ? C LYS A-2 31 1 
ATOM 1599 O O . LYS A-2 1 31 . 44.09 2.723 -9.165 1 19.53 ? O LYS A-2 31 1 
ATOM 1600 C CB . LYS A-2 1 31 . 45.521 5.424 -9.59 1 21.62 ? CB LYS A-2 31 1 
ATOM 1601 C CG . LYS A-2 1 31 . 44.346 6.195 -9.027 1 26.44 ? CG LYS A-2 31 1 
ATOM 1602 C CD . LYS A-2 1 31 . 43.922 7.301 -9.988 1 31.53 ? CD LYS A-2 31 1 
ATOM 1603 C CE . LYS A-2 1 31 . 42.443 7.458 -9.981 1 35.78 ? CE LYS A-2 31 1 
ATOM 1604 N NZ . LYS A-2 1 31 . 41.993 8.515 -10.904 1 37.39 ? NZ LYS A-2 31 1 
ATOM 1605 H H . LYS A-2 1 31 . 46.671 3.083 -10.165 1 19.89 ? H LYS A-2 31 1 
ATOM 1606 H HA . LYS A-2 1 31 . 45.475 3.843 -9.562 1 20.2 ? HA LYS A-2 31 1 
ATOM 1607 H HB2 . LYS A-2 1 31 . 46.284 6.023 -9.617 1 25.95 ? HB2 LYS A-2 31 1 
ATOM 1608 H HB3 . LYS A-2 1 31 . 45.29 5.144 -10.489 1 25.95 ? HB3 LYS A-2 31 1 
ATOM 1609 H HG2 . LYS A-2 1 31 . 43.595 5.594 -8.9 1 31.73 ? HG2 LYS A-2 31 1 
ATOM 1610 H HG3 . LYS A-2 1 31 . 44.601 6.603 -8.184 1 31.73 ? HG3 LYS A-2 31 1 
ATOM 1611 H HD2 . LYS A-2 1 31 . 44.322 8.14 -9.712 1 37.84 ? HD2 LYS A-2 31 1 
ATOM 1612 H HD3 . LYS A-2 1 31 . 44.202 7.072 -10.888 1 37.84 ? HD3 LYS A-2 31 1 
ATOM 1613 H HE2 . LYS A-2 1 31 . 42.033 6.623 -10.256 1 42.93 ? HE2 LYS A-2 31 1 
ATOM 1614 H HE3 . LYS A-2 1 31 . 42.152 7.695 -9.086 1 42.93 ? HE3 LYS A-2 31 1 
ATOM 1615 H HZ1 . LYS A-2 1 31 . 41.106 8.585 -10.878 1 44.87 ? HZ1 LYS A-2 31 1 
ATOM 1616 H HZ2 . LYS A-2 1 31 . 42.352 9.295 -10.671 1 44.87 ? HZ2 LYS A-2 31 1 
ATOM 1617 H HZ3 . LYS A-2 1 31 . 42.244 8.319 -11.736 1 44.87 ? HZ3 LYS A-2 31 1 
ATOM 1618 N N . LEU A-2 1 32 . 44.417 3.325 -7.022 1 13.93 ? N LEU A-2 32 1 
ATOM 1619 C CA . LEU A-2 1 32 . 43.221 2.711 -6.475 1 14.17 ? CA LEU A-2 32 1 
ATOM 1620 C C . LEU A-2 1 32 . 42.181 3.801 -6.202 1 14.52 ? C LEU A-2 32 1 
ATOM 1621 O O . LEU A-2 1 32 . 42.55 4.932 -5.896 1 16.03 ? O LEU A-2 32 1 
ATOM 1622 C CB . LEU A-2 1 32 . 43.526 1.971 -5.174 1 14.68 ? CB LEU A-2 32 1 
ATOM 1623 C CG . LEU A-2 1 32 . 44.688 0.994 -5.178 1 15.54 ? CG LEU A-2 32 1 
ATOM 1624 C CD1 . LEU A-2 1 32 . 44.921 0.427 -3.801 1 16.74 ? CD1 LEU A-2 32 1 
ATOM 1625 C CD2 . LEU A-2 1 32 . 44.436 -0.111 -6.162 1 18.43 ? CD2 LEU A-2 32 1 
ATOM 1626 H H . LEU A-2 1 32 . 44.911 3.688 -6.418 1 16.72 ? H LEU A-2 32 1 
ATOM 1627 H HA . LEU A-2 1 32 . 42.854 2.081 -7.114 1 17 ? HA LEU A-2 32 1 
ATOM 1628 H HB2 . LEU A-2 1 32 . 43.714 2.633 -4.49 1 17.62 ? HB2 LEU A-2 32 1 
ATOM 1629 H HB3 . LEU A-2 1 32 . 42.734 1.47 -4.922 1 17.62 ? HB3 LEU A-2 32 1 
ATOM 1630 H HG . LEU A-2 1 32 . 45.493 1.461 -5.451 1 18.65 ? HG LEU A-2 32 1 
ATOM 1631 H HD11 . LEU A-2 1 32 . 45.667 -0.192 -3.838 1 20.09 ? HD11 LEU A-2 32 1 
ATOM 1632 H HD12 . LEU A-2 1 32 . 45.123 1.153 -3.191 1 20.09 ? HD12 LEU A-2 32 1 
ATOM 1633 H HD13 . LEU A-2 1 32 . 44.121 -0.038 -3.512 1 20.09 ? HD13 LEU A-2 32 1 
ATOM 1634 H HD21 . LEU A-2 1 32 . 45.188 -0.723 -6.149 1 22.11 ? HD21 LEU A-2 32 1 
ATOM 1635 H HD22 . LEU A-2 1 32 . 43.625 -0.579 -5.91 1 22.11 ? HD22 LEU A-2 32 1 
ATOM 1636 H HD23 . LEU A-2 1 32 . 44.336 0.272 -7.048 1 22.11 ? HD23 LEU A-2 32 1 
ATOM 1637 N N . GLN A-2 1 33 . 40.898 3.484 -6.294 1 15.66 ? N GLN A-2 33 1 
ATOM 1638 C CA . GLN A-2 1 33 . 39.846 4.444 -5.963 1 16.64 ? CA GLN A-2 33 1 
ATOM 1639 C C . GLN A-2 1 33 . 38.748 3.764 -5.188 1 16.08 ? C GLN A-2 33 1 
ATOM 1640 O O . GLN A-2 1 33 . 38.419 2.598 -5.449 1 19.17 ? O GLN A-2 33 1 
ATOM 1641 C CB . GLN A-2 1 33 . 39.263 5.028 -7.241 1 20.75 ? CB GLN A-2 33 1 
ATOM 1642 C CG . GLN A-2 1 33 . 40.201 5.916 -7.932 1 25.88 ? CG GLN A-2 33 1 
ATOM 1643 C CD . GLN A-2 1 33 . 39.558 6.535 -9.133 1 33.78 ? CD GLN A-2 33 1 
ATOM 1644 O OE1 . GLN A-2 1 33 . 39.325 5.858 -10.127 0.5 33.88 ? OE1 GLN A-2 33 1 
ATOM 1645 N NE2 . GLN A-2 1 33 . 39.234 7.825 -9.045 1 38.98 ? NE2 GLN A-2 33 1 
ATOM 1646 H H . GLN A-2 1 33 . 40.605 2.716 -6.548 1 18.79 ? H GLN A-2 33 1 
ATOM 1647 H HA . GLN A-2 1 33 . 40.212 5.164 -5.426 1 19.96 ? HA GLN A-2 33 1 
ATOM 1648 H HB2 . GLN A-2 1 33 . 39.035 4.304 -7.844 1 24.9 ? HB2 GLN A-2 33 1 
ATOM 1649 H HB3 . GLN A-2 1 33 . 38.469 5.541 -7.021 1 24.9 ? HB3 GLN A-2 33 1 
ATOM 1650 H HG2 . GLN A-2 1 33 . 40.474 6.627 -7.33 1 31.06 ? HG2 GLN A-2 33 1 
ATOM 1651 H HG3 . GLN A-2 1 33 . 40.972 5.406 -8.225 1 31.06 ? HG3 GLN A-2 33 1 
ATOM 1652 H HE21 . GLN A-2 1 33 . 39.395 8.261 -8.322 1 46.78 ? HE21 GLN A-2 33 1 
ATOM 1653 H HE22 . GLN A-2 1 33 . 38.862 8.221 -9.712 1 46.78 ? HE22 GLN A-2 33 1 
ATOM 1654 N N . GLY A-2 1 34 . 38.222 4.48 -4.221 1 14.64 ? N GLY A-2 34 1 
ATOM 1655 C CA . GLY A-2 1 34 . 37.12 3.962 -3.45 1 16.49 ? CA GLY A-2 34 1 
ATOM 1656 C C . GLY A-2 1 34 . 36.894 4.795 -2.207 1 14.51 ? C GLY A-2 34 1 
ATOM 1657 O O . GLY A-2 1 34 . 37.299 5.938 -2.134 1 17.5 ? O GLY A-2 34 1 
ATOM 1658 H H . GLY A-2 1 34 . 38.482 5.267 -3.991 1 17.57 ? H GLY A-2 34 1 
ATOM 1659 H HA2 . GLY A-2 1 34 . 36.311 3.973 -3.985 1 19.78 ? HA2 GLY A-2 34 1 
ATOM 1660 H HA3 . GLY A-2 1 34 . 37.306 3.047 -3.184 1 19.78 ? HA3 GLY A-2 34 1 
ATOM 1661 N N . GLN A-2 1 35 . 36.229 4.239 -1.236 1 14.44 ? N GLN A-2 35 1 
ATOM 1662 C CA . GLN A-2 1 35 . 35.983 4.9 0.042 1 14.41 ? CA GLN A-2 35 1 
ATOM 1663 C C . GLN A-2 1 35 . 36.729 4.148 1.108 1 13.95 ? C GLN A-2 35 1 
ATOM 1664 O O . GLN A-2 1 35 . 36.817 2.916 1.062 1 15.12 ? O GLN A-2 35 1 
ATOM 1665 C CB . GLN A-2 1 35 . 34.509 4.98 0.362 1 15.96 ? CB GLN A-2 35 1 
ATOM 1666 C CG . GLN A-2 1 35 . 33.779 5.947 -0.57 1 16.96 ? CG GLN A-2 35 1 
ATOM 1667 C CD . GLN A-2 1 35 . 32.289 5.633 -0.595 1 19.36 ? CD GLN A-2 35 1 
ATOM 1668 O OE1 . GLN A-2 1 35 . 31.869 4.501 -0.967 0.58 17.85 ? OE1 GLN A-2 35 1 
ATOM 1669 N NE2 . GLN A-2 1 35 . 31.463 6.568 -0.178 1 21.28 ? NE2 GLN A-2 35 1 
ATOM 1670 H H . GLN A-2 1 35 . 35.893 3.449 -1.281 1 17.32 ? H GLN A-2 35 1 
ATOM 1671 H HA . GLN A-2 1 35 . 36.333 5.803 0.007 1 17.3 ? HA GLN A-2 35 1 
ATOM 1672 H HB2 . GLN A-2 1 35 . 34.112 4.1 0.258 1 19.15 ? HB2 GLN A-2 35 1 
ATOM 1673 H HB3 . GLN A-2 1 35 . 34.396 5.293 1.273 1 19.15 ? HB3 GLN A-2 35 1 
ATOM 1674 H HG2 . GLN A-2 1 35 . 33.896 6.856 -0.251 1 20.35 ? HG2 GLN A-2 35 1 
ATOM 1675 H HG3 . GLN A-2 1 35 . 34.127 5.855 -1.471 1 20.35 ? HG3 GLN A-2 35 1 
ATOM 1676 H HE21 . GLN A-2 1 35 . 30.615 6.423 -0.179 1 25.53 ? HE21 GLN A-2 35 1 
ATOM 1677 H HE22 . GLN A-2 1 35 . 31.771 7.323 0.095 1 25.53 ? HE22 GLN A-2 35 1 
ATOM 1678 N N . ILE A-2 1 36 . 37.274 4.861 2.07 1 13.51 ? N ILE A-2 36 1 
ATOM 1679 C CA . ILE A-2 1 36 . 37.965 4.244 3.191 1 13.64 ? CA ILE A-2 36 1 
ATOM 1680 C C . ILE A-2 1 36 . 36.951 3.689 4.138 1 13.68 ? C ILE A-2 36 1 
ATOM 1681 O O . ILE A-2 1 36 . 36.2 4.463 4.74 1 17 ? O ILE A-2 36 1 
ATOM 1682 C CB . ILE A-2 1 36 . 38.925 5.188 3.855 1 14.86 ? CB ILE A-2 36 1 
ATOM 1683 C CG1 . ILE A-2 1 36 . 40.034 5.562 2.841 1 16.12 ? CG1 ILE A-2 36 1 
ATOM 1684 C CG2 . ILE A-2 1 36 . 39.486 4.602 5.107 1 15.07 ? CG2 ILE A-2 36 1 
ATOM 1685 C CD1 . ILE A-2 1 36 . 41.023 6.579 3.327 1 19.44 ? CD1 ILE A-2 36 1 
ATOM 1686 H H . ILE A-2 1 36 . 37.259 5.721 2.101 1 16.21 ? H ILE A-2 36 1 
ATOM 1687 H HA . ILE A-2 1 36 . 38.484 3.497 2.855 1 16.37 ? HA ILE A-2 36 1 
ATOM 1688 H HB . ILE A-2 1 36 . 38.443 5.997 4.089 1 17.83 ? HB ILE A-2 36 1 
ATOM 1689 H HG12 . ILE A-2 1 36 . 40.528 4.759 2.615 1 19.34 ? HG12 ILE A-2 36 1 
ATOM 1690 H HG13 . ILE A-2 1 36 . 39.615 5.921 2.043 1 19.34 ? HG13 ILE A-2 36 1 
ATOM 1691 H HG21 . ILE A-2 1 36 . 38.759 4.414 5.721 1 18.08 ? HG21 ILE A-2 36 1 
ATOM 1692 H HG22 . ILE A-2 1 36 . 39.956 3.783 4.889 1 18.08 ? HG22 ILE A-2 36 1 
ATOM 1693 H HG23 . ILE A-2 1 36 . 40.098 5.239 5.507 1 18.08 ? HG23 ILE A-2 36 1 
ATOM 1694 H HD11 . ILE A-2 1 36 . 41.674 6.746 2.627 1 23.33 ? HD11 ILE A-2 36 1 
ATOM 1695 H HD12 . ILE A-2 1 36 . 40.553 7.398 3.544 1 23.33 ? HD12 ILE A-2 36 1 
ATOM 1696 H HD13 . ILE A-2 1 36 . 41.469 6.234 4.117 1 23.33 ? HD13 ILE A-2 36 1 
ATOM 1697 N N . GLU A-2 1 37 . 36.94 2.383 4.317 1 14 ? N GLU A-2 37 1 
ATOM 1698 C CA . GLU A-2 1 37 . 36.036 1.747 5.242 1 16.02 ? CA GLU A-2 37 1 
ATOM 1699 C C . GLU A-2 1 37 . 36.587 1.805 6.661 1 14.83 ? C GLU A-2 37 1 
ATOM 1700 O O . GLU A-2 1 37 . 35.838 1.996 7.623 1 16.69 ? O GLU A-2 37 1 
ATOM 1701 C CB . GLU A-2 1 37 . 35.837 0.266 4.864 1 22.02 ? CB GLU A-2 37 1 
ATOM 1702 C CG . GLU A-2 1 37 . 34.985 -0.497 5.879 1 33.9 ? CG GLU A-2 37 1 
ATOM 1703 C CD . GLU A-2 1 37 . 34.794 -1.971 5.558 1 50.18 ? CD GLU A-2 37 1 
ATOM 1704 O OE1 . GLU A-2 1 37 . 34.204 -2.679 6.397 1 62.78 ? OE1 GLU A-2 37 1 
ATOM 1705 O OE2 . GLU A-2 1 37 . 35.235 -2.428 4.488 0.61 48.69 ? OE2 GLU A-2 37 1 
ATOM 1706 H H . GLU A-2 1 37 . 37.46 1.836 3.904 1 16.8 ? H GLU A-2 37 1 
ATOM 1707 H HA . GLU A-2 1 37 . 35.176 2.194 5.222 1 19.23 ? HA GLU A-2 37 1 
ATOM 1708 H HB2 . GLU A-2 1 37 . 35.392 0.218 4.003 1 26.43 ? HB2 GLU A-2 37 1 
ATOM 1709 H HB3 . GLU A-2 1 37 . 36.704 -0.166 4.814 1 26.43 ? HB3 GLU A-2 37 1 
ATOM 1710 H HG2 . GLU A-2 1 37 . 35.412 -0.439 6.748 1 40.68 ? HG2 GLU A-2 37 1 
ATOM 1711 H HG3 . GLU A-2 1 37 . 34.107 -0.087 5.918 1 40.68 ? HG3 GLU A-2 37 1 
ATOM 1712 N N . SER A-2 1 38 . 37.892 1.593 6.803 1 14.39 ? N SER A-2 38 1 
ATOM 1713 C CA . SER A-2 1 38 . 38.538 1.504 8.075 1 14.93 ? CA SER A-2 38 1 
ATOM 1714 C C . SER A-2 1 38 . 40.053 1.572 7.831 1 13.7 ? C SER A-2 38 1 
ATOM 1715 O O . SER A-2 1 38 . 40.514 1.439 6.695 1 13.45 ? O SER A-2 38 1 
ATOM 1716 C CB . SER A-2 1 38 . 38.201 0.233 8.835 1 18.64 ? CB SER A-2 38 1 
ATOM 1717 O OG . SER A-2 1 38 . 38.441 -0.848 8.033 1 24.13 ? OG SER A-2 38 1 
ATOM 1718 H H . SER A-2 1 38 . 38.432 1.496 6.141 1 17.27 ? H SER A-2 38 1 
ATOM 1719 H HA . SER A-2 1 38 . 38.28 2.264 8.621 1 17.91 ? HA SER A-2 38 1 
ATOM 1720 H HB2 . SER A-2 1 38 . 38.759 0.175 9.626 1 22.37 ? HB2 SER A-2 38 1 
ATOM 1721 H HB3 . SER A-2 1 38 . 37.264 0.247 9.083 1 22.37 ? HB3 SER A-2 38 1 
ATOM 1722 H HG . SER A-2 1 38 . 38.258 -1.557 8.445 1 28.96 ? HG SER A-2 38 1 
ATOM 1723 N N . PHE A-2 1 39 . 40.797 1.757 8.916 1 13.66 ? N PHE A-2 39 1 
ATOM 1724 C CA . PHE A-2 1 39 . 42.253 1.769 8.81 1 12.9 ? CA PHE A-2 39 1 
ATOM 1725 C C . PHE A-2 1 39 . 42.798 1.463 10.192 1 13.34 ? C PHE A-2 39 1 
ATOM 1726 O O . PHE A-2 1 39 . 42.121 1.618 11.194 1 15.13 ? O PHE A-2 39 1 
ATOM 1727 C CB . PHE A-2 1 39 . 42.776 3.108 8.257 1 13.35 ? CB PHE A-2 39 1 
ATOM 1728 C CG . PHE A-2 1 39 . 42.483 4.268 9.142 1 13.99 ? CG PHE A-2 39 1 
ATOM 1729 C CD1 . PHE A-2 1 39 . 41.243 4.916 9.04 1 15.87 ? CD1 PHE A-2 39 1 
ATOM 1730 C CD2 . PHE A-2 1 39 . 43.416 4.689 10.112 1 15.48 ? CD2 PHE A-2 39 1 
ATOM 1731 C CE1 . PHE A-2 1 39 . 40.961 5.976 9.901 1 17.63 ? CE1 PHE A-2 39 1 
ATOM 1732 C CE2 . PHE A-2 1 39 . 43.145 5.765 10.916 1 19.03 ? CE2 PHE A-2 39 1 
ATOM 1733 C CZ . PHE A-2 1 39 . 41.917 6.402 10.82 1 19.28 ? CZ PHE A-2 39 1 
ATOM 1734 H H . PHE A-2 1 39 . 40.493 1.876 9.711 1 16.39 ? H PHE A-2 39 1 
ATOM 1735 H HA . PHE A-2 1 39 . 42.535 1.062 8.208 1 15.48 ? HA PHE A-2 39 1 
ATOM 1736 H HB2 . PHE A-2 1 39 . 43.737 3.05 8.151 1 16.02 ? HB2 PHE A-2 39 1 
ATOM 1737 H HB3 . PHE A-2 1 39 . 42.358 3.277 7.398 1 16.02 ? HB3 PHE A-2 39 1 
ATOM 1738 H HD1 . PHE A-2 1 39 . 40.612 4.63 8.42 1 19.05 ? HD1 PHE A-2 39 1 
ATOM 1739 H HD2 . PHE A-2 1 39 . 44.242 4.266 10.171 1 18.58 ? HD2 PHE A-2 39 1 
ATOM 1740 H HE1 . PHE A-2 1 39 . 40.15 6.425 9.833 1 21.16 ? HE1 PHE A-2 39 1 
ATOM 1741 H HE2 . PHE A-2 1 39 . 43.766 6.041 11.551 1 22.84 ? HE2 PHE A-2 39 1 
ATOM 1742 H HZ . PHE A-2 1 39 . 41.725 7.117 11.382 1 23.14 ? HZ PHE A-2 39 1 
ATOM 1743 N N . ASP A-2 1 40 . 44.071 1.065 10.23 1 12.6 ? N ASP A-2 40 1 
ATOM 1744 C CA . ASP A-2 1 40 . 44.765 0.87 11.466 1 13.4 ? CA ASP A-2 40 1 
ATOM 1745 C C . ASP A-2 1 40 . 46.204 1.342 11.294 1 12.51 ? C ASP A-2 40 1 
ATOM 1746 O O . ASP A-2 1 40 . 46.514 2.107 10.395 1 13.17 ? O ASP A-2 40 1 
ATOM 1747 C CB . ASP A-2 1 40 . 44.631 -0.567 11.988 1 13.97 ? CB ASP A-2 40 1 
ATOM 1748 C CG . ASP A-2 1 40 . 45.396 -1.617 11.2 1 13.85 ? CG ASP A-2 40 1 
ATOM 1749 O OD1 . ASP A-2 1 40 . 46.185 -1.251 10.323 1 14.8 ? OD1 ASP A-2 40 1 
ATOM 1750 O OD2 . ASP A-2 1 40 . 45.222 -2.823 11.516 1 15.52 ? OD2 ASP A-2 40 1 
ATOM 1751 H H . ASP A-2 1 40 . 44.548 0.904 9.533 1 15.12 ? H ASP A-2 40 1 
ATOM 1752 H HA . ASP A-2 1 40 . 44.358 1.448 12.13 1 16.08 ? HA ASP A-2 40 1 
ATOM 1753 H HB2 . ASP A-2 1 40 . 44.955 -0.593 12.902 1 16.77 ? HB2 ASP A-2 40 1 
ATOM 1754 H HB3 . ASP A-2 1 40 . 43.692 -0.814 11.97 1 16.77 ? HB3 ASP A-2 40 1 
ATOM 1755 N N . GLN A-2 1 41 . 47.065 0.922 12.209 1 13.44 ? N GLN A-2 41 1 
ATOM 1756 C CA . GLN A-2 1 41 . 48.43 1.327 12.155 1 13.9 ? CA GLN A-2 41 1 
ATOM 1757 C C . GLN A-2 1 41 . 49.119 1.1 10.786 1 12.56 ? C GLN A-2 41 1 
ATOM 1758 O O . GLN A-2 1 41 . 49.894 1.948 10.328 1 13.49 ? O GLN A-2 41 1 
ATOM 1759 C CB . GLN A-2 1 41 . 49.177 0.542 13.239 1 16.07 ? CB GLN A-2 41 1 
ATOM 1760 C CG . GLN A-2 1 41 . 50.605 0.894 13.316 1 17.95 ? CG GLN A-2 41 1 
ATOM 1761 C CD . GLN A-2 1 41 . 51.222 0.301 14.518 1 19.09 ? CD GLN A-2 41 1 
ATOM 1762 O OE1 . GLN A-2 1 41 . 50.938 -0.857 14.916 1 20.15 ? OE1 GLN A-2 41 1 
ATOM 1763 N NE2 . GLN A-2 1 41 . 52.111 1.059 15.119 1 20.8 ? NE2 GLN A-2 41 1 
ATOM 1764 H H . GLN A-2 1 41 . 46.871 0.403 12.866 1 16.13 ? H GLN A-2 41 1 
ATOM 1765 H HA . GLN A-2 1 41 . 48.49 2.271 12.37 1 16.68 ? HA GLN A-2 41 1 
ATOM 1766 H HB2 . GLN A-2 1 41 . 48.775 0.731 14.101 1 19.28 ? HB2 GLN A-2 41 1 
ATOM 1767 H HB3 . GLN A-2 1 41 . 49.113 -0.406 13.043 1 19.28 ? HB3 GLN A-2 41 1 
ATOM 1768 H HG2 . GLN A-2 1 41 . 51.065 0.55 12.534 1 21.54 ? HG2 GLN A-2 41 1 
ATOM 1769 H HG3 . GLN A-2 1 41 . 50.697 1.857 13.368 1 21.54 ? HG3 GLN A-2 41 1 
ATOM 1770 H HE21 . GLN A-2 1 41 . 52.51 0.776 15.826 1 24.96 ? HE21 GLN A-2 41 1 
ATOM 1771 H HE22 . GLN A-2 1 41 . 52.294 1.838 14.805 1 24.96 ? HE22 GLN A-2 41 1 
ATOM 1772 N N . PHE A-2 1 42 . 48.863 -0.055 10.191 1 11.98 ? N PHE A-2 42 1 
ATOM 1773 C CA . PHE A-2 1 42 . 49.596 -0.486 9.014 1 11.84 ? CA PHE A-2 42 1 
ATOM 1774 C C . PHE A-2 1 42 . 48.801 -0.577 7.709 1 11.18 ? C PHE A-2 42 1 
ATOM 1775 O O . PHE A-2 1 42 . 49.424 -0.684 6.661 1 11.21 ? O PHE A-2 42 1 
ATOM 1776 C CB . PHE A-2 1 42 . 50.284 -1.806 9.276 1 12.28 ? CB PHE A-2 42 1 
ATOM 1777 C CG . PHE A-2 1 42 . 51.373 -1.715 10.315 1 12.96 ? CG PHE A-2 42 1 
ATOM 1778 C CD1 . PHE A-2 1 42 . 52.471 -0.881 10.128 1 15.43 ? CD1 PHE A-2 42 1 
ATOM 1779 C CD2 . PHE A-2 1 42 . 51.33 -2.495 11.443 1 14.45 ? CD2 PHE A-2 42 1 
ATOM 1780 C CE1 . PHE A-2 1 42 . 53.486 -0.836 11.067 1 16.69 ? CE1 PHE A-2 42 1 
ATOM 1781 C CE2 . PHE A-2 1 42 . 52.359 -2.428 12.378 1 17.13 ? CE2 PHE A-2 42 1 
ATOM 1782 C CZ . PHE A-2 1 42 . 53.424 -1.58 12.181 1 17.55 ? CZ PHE A-2 42 1 
ATOM 1783 H H . PHE A-2 1 42 . 48.263 -0.614 10.453 1 14.38 ? H PHE A-2 42 1 
ATOM 1784 H HA . PHE A-2 1 42 . 50.299 0.165 8.86 1 14.21 ? HA PHE A-2 42 1 
ATOM 1785 H HB2 . PHE A-2 1 42 . 49.625 -2.446 9.589 1 14.74 ? HB2 PHE A-2 42 1 
ATOM 1786 H HB3 . PHE A-2 1 42 . 50.684 -2.121 8.451 1 14.74 ? HB3 PHE A-2 42 1 
ATOM 1787 H HD1 . PHE A-2 1 42 . 52.526 -0.354 9.363 1 18.52 ? HD1 PHE A-2 42 1 
ATOM 1788 H HD2 . PHE A-2 1 42 . 50.611 -3.067 11.585 1 17.34 ? HD2 PHE A-2 42 1 
ATOM 1789 H HE1 . PHE A-2 1 42 . 54.206 -0.262 10.938 1 20.03 ? HE1 PHE A-2 42 1 
ATOM 1790 H HE2 . PHE A-2 1 42 . 52.318 -2.949 13.148 1 20.56 ? HE2 PHE A-2 42 1 
ATOM 1791 H HZ . PHE A-2 1 42 . 54.109 -1.538 12.808 1 21.06 ? HZ PHE A-2 42 1 
ATOM 1792 N N . VAL A-2 1 43 . 47.473 -0.61 7.759 1 11.02 ? N VAL A-2 43 1 
ATOM 1793 C CA . VAL A-2 1 43 . 46.684 -0.865 6.571 1 11.27 ? CA VAL A-2 43 1 
ATOM 1794 C C . VAL A-2 1 43 . 45.508 0.096 6.489 1 11.18 ? C VAL A-2 43 1 
ATOM 1795 O O . VAL A-2 1 43 . 45.054 0.684 7.479 1 12.18 ? O VAL A-2 43 1 
ATOM 1796 C CB . VAL A-2 1 43 . 46.168 -2.335 6.479 1 11.68 ? CB VAL A-2 43 1 
ATOM 1797 C CG1 . VAL A-2 1 43 . 47.317 -3.324 6.579 1 12.51 ? CG1 VAL A-2 43 1 
ATOM 1798 C CG2 . VAL A-2 1 43 . 45.086 -2.634 7.512 1 13.82 ? CG2 VAL A-2 43 1 
ATOM 1799 H H . VAL A-2 1 43 . 47.009 -0.488 8.473 1 13.22 ? H VAL A-2 43 1 
ATOM 1800 H HA . VAL A-2 1 43 . 47.243 -0.706 5.794 1 13.53 ? HA VAL A-2 43 1 
ATOM 1801 H HB . VAL A-2 1 43 . 45.766 -2.456 5.605 1 14.02 ? HB VAL A-2 43 1 
ATOM 1802 H HG11 . VAL A-2 1 43 . 46.963 -4.225 6.519 1 15.01 ? HG11 VAL A-2 43 1 
ATOM 1803 H HG12 . VAL A-2 1 43 . 47.937 -3.162 5.851 1 15.01 ? HG12 VAL A-2 43 1 
ATOM 1804 H HG13 . VAL A-2 1 43 . 47.767 -3.2 7.43 1 15.01 ? HG13 VAL A-2 43 1 
ATOM 1805 H HG21 . VAL A-2 1 43 . 44.923 -1.835 8.038 1 16.59 ? HG21 VAL A-2 43 1 
ATOM 1806 H HG22 . VAL A-2 1 43 . 44.275 -2.898 7.051 1 16.59 ? HG22 VAL A-2 43 1 
ATOM 1807 H HG23 . VAL A-2 1 43 . 45.39 -3.353 8.088 1 16.59 ? HG23 VAL A-2 43 1 
ATOM 1808 N N . ILE A-2 1 44 . 45.004 0.212 5.27 1 11.46 ? N ILE A-2 44 1 
ATOM 1809 C CA . ILE A-2 1 44 . 43.763 0.934 4.962 1 11.67 ? CA ILE A-2 44 1 
ATOM 1810 C C . ILE A-2 1 44 . 42.886 -0.089 4.223 1 12 ? C ILE A-2 44 1 
ATOM 1811 O O . ILE A-2 1 44 . 43.332 -0.714 3.271 1 13.21 ? O ILE A-2 44 1 
ATOM 1812 C CB . ILE A-2 1 44 . 44.027 2.174 4.095 1 12.35 ? CB ILE A-2 44 1 
ATOM 1813 C CG1 . ILE A-2 1 44 . 44.928 3.173 4.877 1 13.04 ? CG1 ILE A-2 44 1 
ATOM 1814 C CG2 . ILE A-2 1 44 . 42.734 2.801 3.664 1 14.26 ? CG2 ILE A-2 44 1 
ATOM 1815 C CD1 . ILE A-2 1 44 . 45.353 4.371 4.065 1 13.83 ? CD1 ILE A-2 44 1 
ATOM 1816 H H . ILE A-2 1 44 . 45.375 -0.131 4.573 1 13.75 ? H ILE A-2 44 1 
ATOM 1817 H HA . ILE A-2 1 44 . 43.32 1.203 5.781 1 14.01 ? HA ILE A-2 44 1 
ATOM 1818 H HB . ILE A-2 1 44 . 44.508 1.892 3.301 1 14.83 ? HB ILE A-2 44 1 
ATOM 1819 H HG12 . ILE A-2 1 44 . 44.439 3.497 5.649 1 15.65 ? HG12 ILE A-2 44 1 
ATOM 1820 H HG13 . ILE A-2 1 44 . 45.73 2.71 5.166 1 15.65 ? HG13 ILE A-2 44 1 
ATOM 1821 H HG21 . ILE A-2 1 44 . 42.226 2.154 3.149 1 17.12 ? HG21 ILE A-2 44 1 
ATOM 1822 H HG22 . ILE A-2 1 44 . 42.233 3.063 4.452 1 17.12 ? HG22 ILE A-2 44 1 
ATOM 1823 H HG23 . ILE A-2 1 44 . 42.927 3.58 3.119 1 17.12 ? HG23 ILE A-2 44 1 
ATOM 1824 H HD11 . ILE A-2 1 44 . 45.855 4.068 3.292 1 16.6 ? HD11 ILE A-2 44 1 
ATOM 1825 H HD12 . ILE A-2 1 44 . 44.562 4.854 3.777 1 16.6 ? HD12 ILE A-2 44 1 
ATOM 1826 H HD13 . ILE A-2 1 44 . 45.909 4.945 4.616 1 16.6 ? HD13 ILE A-2 44 1 
ATOM 1827 N N . LEU A-2 1 45 . 41.625 -0.192 4.639 1 12.01 ? N LEU A-2 45 1 
ATOM 1828 C CA A LEU A-2 1 45 . 40.635 -0.967 3.943 0.36 15.21 ? CA LEU A-2 45 1 
ATOM 1829 C CA B LEU A-2 1 45 . 40.645 -0.999 3.972 0.64 12.39 ? CA LEU A-2 45 1 
ATOM 1830 C C . LEU A-2 1 45 . 39.859 -0.107 3.003 1 12.4 ? C LEU A-2 45 1 
ATOM 1831 O O . LEU A-2 1 45 . 39.166 0.826 3.467 1 13.99 ? O LEU A-2 45 1 
ATOM 1832 C CB A LEU A-2 1 45 . 39.773 -1.884 4.793 0.36 18.76 ? CB LEU A-2 45 1 
ATOM 1833 C CB B LEU A-2 1 45 . 39.723 -1.761 4.938 0.64 13.42 ? CB LEU A-2 45 1 
ATOM 1834 C CG A LEU A-2 1 45 . 40.263 -3.292 5.105 0.36 22.53 ? CG LEU A-2 45 1 
ATOM 1835 C CG B LEU A-2 1 45 . 38.831 -2.81 4.257 0.64 20.63 ? CG LEU A-2 45 1 
ATOM 1836 C CD1 A LEU A-2 1 45 . 41.58 -3.26 5.791 0.36 23.31 ? CD1 LEU A-2 45 1 
ATOM 1837 C CD1 B LEU A-2 1 45 . 39.687 -3.913 3.608 0.64 22.98 ? CD1 LEU A-2 45 1 
ATOM 1838 C CD2 A LEU A-2 1 45 . 39.195 -4.005 5.92 0.36 24.44 ? CD2 LEU A-2 45 1 
ATOM 1839 C CD2 B LEU A-2 1 45 . 37.892 -3.431 5.223 0.64 22.95 ? CD2 LEU A-2 45 1 
ATOM 1840 H H . LEU A-2 1 45 . 41.322 0.207 5.338 1 14.41 ? H LEU A-2 45 1 
ATOM 1841 H HA . LEU A-2 1 45 . 40.132 -0.379 4.521 0.36 14.86 ? HA LEU A-2 45 1 
ATOM 1842 H HB2 A LEU A-2 1 45 . 39.632 -1.445 5.647 0.36 22.52 ? HB2 LEU A-2 45 1 
ATOM 1843 H HB2 B LEU A-2 1 45 . 40.272 -2.221 5.594 0.64 16.11 ? HB2 LEU A-2 45 1 
ATOM 1844 H HB3 A LEU A-2 1 45 . 38.918 -1.98 4.346 0.36 22.52 ? HB3 LEU A-2 45 1 
ATOM 1845 H HB3 B LEU A-2 1 45 . 39.144 -1.124 5.384 0.64 16.11 ? HB3 LEU A-2 45 1 
ATOM 1846 H HG A LEU A-2 1 45 . 40.374 -3.776 4.272 0.36 27.04 ? HG LEU A-2 45 1 
ATOM 1847 H HG B LEU A-2 1 45 . 38.31 -2.381 3.561 0.64 24.76 ? HG LEU A-2 45 1 
ATOM 1848 H HD11 A LEU A-2 1 45 . 41.862 -4.17 5.974 0.36 27.97 ? HD11 LEU A-2 45 1 
ATOM 1849 H HD11 B LEU A-2 1 45 . 40.269 -3.51 2.944 0.64 27.58 ? HD11 LEU A-2 45 1 
ATOM 1850 H HD12 A LEU A-2 1 45 . 42.225 -2.823 5.214 0.36 27.97 ? HD12 LEU A-2 45 1 
ATOM 1851 H HD12 B LEU A-2 1 45 . 40.218 -4.345 4.295 0.64 27.58 ? HD12 LEU A-2 45 1 
ATOM 1852 H HD13 A LEU A-2 1 45 . 41.491 -2.767 6.621 0.36 27.97 ? HD13 LEU A-2 45 1 
ATOM 1853 H HD13 B LEU A-2 1 45 . 39.101 -4.559 3.186 0.64 27.58 ? HD13 LEU A-2 45 1 
ATOM 1854 H HD21 A LEU A-2 1 45 . 39.501 -4.902 6.123 0.36 29.33 ? HD21 LEU A-2 45 1 
ATOM 1855 H HD21 B LEU A-2 1 45 . 38.403 -3.864 5.925 0.64 27.54 ? HD21 LEU A-2 45 1 
ATOM 1856 H HD22 A LEU A-2 1 45 . 39.046 -3.512 6.743 0.36 29.33 ? HD22 LEU A-2 45 1 
ATOM 1857 H HD22 B LEU A-2 1 45 . 37.327 -2.739 5.603 0.64 27.54 ? HD22 LEU A-2 45 1 
ATOM 1858 H HD23 A LEU A-2 1 45 . 38.376 -4.041 5.403 0.36 29.33 ? HD23 LEU A-2 45 1 
ATOM 1859 H HD23 B LEU A-2 1 45 . 37.348 -4.084 4.758 0.64 27.54 ? HD23 LEU A-2 45 1 
ATOM 1860 N N . LEU A-2 1 46 . 39.94 -0.353 1.717 1 12.8 ? N LEU A-2 46 1 
ATOM 1861 C CA . LEU A-2 1 46 . 39.368 0.478 0.661 1 12.37 ? CA LEU A-2 46 1 
ATOM 1862 C C . LEU A-2 1 46 . 38.225 -0.272 0.002 1 12.95 ? C LEU A-2 46 1 
ATOM 1863 O O . LEU A-2 1 46 . 38.415 -1.347 -0.56 1 13.89 ? O LEU A-2 46 1 
ATOM 1864 C CB . LEU A-2 1 46 . 40.413 0.811 -0.372 1 13.24 ? CB LEU A-2 46 1 
ATOM 1865 C CG . LEU A-2 1 46 . 40.018 1.854 -1.412 1 14.45 ? CG LEU A-2 46 1 
ATOM 1866 C CD1 . LEU A-2 1 46 . 39.852 3.236 -0.848 1 15.35 ? CD1 LEU A-2 46 1 
ATOM 1867 C CD2 . LEU A-2 1 46 . 40.989 1.813 -2.557 1 16.85 ? CD2 LEU A-2 46 1 
ATOM 1868 H H . LEU A-2 1 46 . 40.349 -1.041 1.403 1 15.36 ? H LEU A-2 46 1 
ATOM 1869 H HA . LEU A-2 1 46 . 39.026 1.303 1.04 1 14.85 ? HA LEU A-2 46 1 
ATOM 1870 H HB2 . LEU A-2 1 46 . 41.2 1.145 0.087 1 15.88 ? HB2 LEU A-2 46 1 
ATOM 1871 H HB3 . LEU A-2 1 46 . 40.641 -0.002 -0.85 1 15.88 ? HB3 LEU A-2 46 1 
ATOM 1872 H HG . LEU A-2 1 46 . 39.154 1.596 -1.771 1 17.34 ? HG LEU A-2 46 1 
ATOM 1873 H HD11 . LEU A-2 1 46 . 40.692 3.519 -0.454 1 18.42 ? HD11 LEU A-2 46 1 
ATOM 1874 H HD12 . LEU A-2 1 46 . 39.602 3.841 -1.564 1 18.42 ? HD12 LEU A-2 46 1 
ATOM 1875 H HD13 . LEU A-2 1 46 . 39.157 3.219 -0.171 1 18.42 ? HD13 LEU A-2 46 1 
ATOM 1876 H HD21 . LEU A-2 1 46 . 40.73 2.479 -3.213 1 20.22 ? HD21 LEU A-2 46 1 
ATOM 1877 H HD22 . LEU A-2 1 46 . 41.879 2.006 -2.223 1 20.22 ? HD22 LEU A-2 46 1 
ATOM 1878 H HD23 . LEU A-2 1 46 . 40.969 0.93 -2.956 1 20.22 ? HD23 LEU A-2 46 1 
ATOM 1879 N N . LYS A-2 1 47 . 37.019 0.287 0.098 1 14.92 ? N LYS A-2 47 1 
ATOM 1880 C CA A LYS A-2 1 47 . 35.823 -0.284 -0.519 0.55 17.41 ? CA LYS A-2 47 1 
ATOM 1881 C CA B LYS A-2 1 47 . 35.836 -0.306 -0.506 0.45 16.29 ? CA LYS A-2 47 1 
ATOM 1882 C CA C LYS A-2 1 47 . 35.817 -0.288 -0.515 0 19.61 ? CA LYS A-2 47 1 
ATOM 1883 C C . LYS A-2 1 47 . 35.75 0.129 -1.94 1 19.58 ? C LYS A-2 47 1 
ATOM 1884 O O . LYS A-2 1 47 . 35.768 1.323 -2.167 1 25.43 ? O LYS A-2 47 1 
ATOM 1885 C CB A LYS A-2 1 47 . 34.556 0.345 0.052 0.55 22.32 ? CB LYS A-2 47 1 
ATOM 1886 C CB B LYS A-2 1 47 . 34.584 0.122 0.237 0.45 20.36 ? CB LYS A-2 47 1 
ATOM 1887 C CB C LYS A-2 1 47 . 34.555 0.307 0.104 0 25.98 ? CB LYS A-2 47 1 
ATOM 1888 C CG A LYS A-2 1 47 . 34.372 0.282 1.509 0.55 24.44 ? CG LYS A-2 47 1 
ATOM 1889 C CG B LYS A-2 1 47 . 33.328 -0.566 -0.261 0.45 22.72 ? CG LYS A-2 47 1 
ATOM 1890 C CG C LYS A-2 1 47 . 34.458 0.201 1.587 0 32.88 ? CG LYS A-2 47 1 
ATOM 1891 C CD A LYS A-2 1 47 . 33.082 1.075 1.881 0.55 27.38 ? CD LYS A-2 47 1 
ATOM 1892 C CD B LYS A-2 1 47 . 33.367 -2.132 -0.332 0.45 25.17 ? CD LYS A-2 47 1 
ATOM 1893 C CD C LYS A-2 1 47 . 33.743 -1.07 1.983 0 39.64 ? CD LYS A-2 47 1 
ATOM 1894 C CE A LYS A-2 1 47 . 32.643 0.886 3.319 0.55 29.86 ? CE LYS A-2 47 1 
ATOM 1895 C CE B LYS A-2 1 47 . 31.932 -2.714 -0.486 0.45 27.19 ? CE LYS A-2 47 1 
ATOM 1896 C CE C LYS A-2 1 47 . 32.339 -0.8 2.497 0 44.1 ? CE LYS A-2 47 1 
ATOM 1897 N NZ A LYS A-2 1 47 . 32.126 -0.501 3.552 0.55 32.96 ? NZ LYS A-2 47 1 
ATOM 1898 N NZ B LYS A-2 1 47 . 31.636 -3.586 -1.727 0.45 23.93 ? NZ LYS A-2 47 1 
ATOM 1899 N NZ C LYS A-2 1 47 . 31.307 -1.415 1.621 0 45.99 ? NZ LYS A-2 47 1 
ATOM 1900 H H . LYS A-2 1 47 . 36.869 1.019 0.524 1 17.91 ? H LYS A-2 47 1 
ATOM 1901 H HA . LYS A-2 1 47 . 35.835 -1.26 -0.454 0.55 23.54 ? HA LYS A-2 47 1 
ATOM 1902 H HB2 A LYS A-2 1 47 . 34.548 1.283 -0.195 0.55 26.78 ? HB2 LYS A-2 47 1 
ATOM 1903 H HB2 B LYS A-2 1 47 . 34.689 -0.092 1.177 0.45 24.44 ? HB2 LYS A-2 47 1 
ATOM 1904 H HB2 C LYS A-2 1 47 . 34.516 1.25 -0.123 0 31.18 ? HB2 LYS A-2 47 1 
ATOM 1905 H HB3 A LYS A-2 1 47 . 33.792 -0.098 -0.351 0.55 26.78 ? HB3 LYS A-2 47 1 
ATOM 1906 H HB3 B LYS A-2 1 47 . 34.465 1.078 0.126 0.45 24.44 ? HB3 LYS A-2 47 1 
ATOM 1907 H HB3 C LYS A-2 1 47 . 33.785 -0.148 -0.271 0 31.18 ? HB3 LYS A-2 47 1 
ATOM 1908 H HG2 A LYS A-2 1 47 . 34.264 -0.641 1.787 0.55 29.32 ? HG2 LYS A-2 47 1 
ATOM 1909 H HG2 B LYS A-2 1 47 . 32.596 -0.324 0.328 0.45 27.26 ? HG2 LYS A-2 47 1 
ATOM 1910 H HG2 C LYS A-2 1 47 . 35.349 0.183 1.969 0 39.45 ? HG2 LYS A-2 47 1 
ATOM 1911 H HG3 A LYS A-2 1 47 . 35.131 0.69 1.954 0.55 29.32 ? HG3 LYS A-2 47 1 
ATOM 1912 H HG3 B LYS A-2 1 47 . 33.139 -0.242 -1.156 0.45 27.26 ? HG3 LYS A-2 47 1 
ATOM 1913 H HG3 C LYS A-2 1 47 . 33.956 0.955 1.933 0 39.45 ? HG3 LYS A-2 47 1 
ATOM 1914 H HD2 A LYS A-2 1 47 . 33.246 2.021 1.742 0.55 32.85 ? HD2 LYS A-2 47 1 
ATOM 1915 H HD2 B LYS A-2 1 47 . 33.893 -2.407 -1.1 0.45 30.2 ? HD2 LYS A-2 47 1 
ATOM 1916 H HD2 C LYS A-2 1 47 . 33.674 -1.651 1.209 0 47.56 ? HD2 LYS A-2 47 1 
ATOM 1917 H HD3 A LYS A-2 1 47 . 32.356 0.779 1.309 0.55 32.85 ? HD3 LYS A-2 47 1 
ATOM 1918 H HD3 B LYS A-2 1 47 . 33.754 -2.482 0.485 0.45 30.2 ? HD3 LYS A-2 47 1 
ATOM 1919 H HD3 C LYS A-2 1 47 . 34.243 -1.511 2.688 0 47.56 ? HD3 LYS A-2 47 1 
ATOM 1920 H HE2 A LYS A-2 1 47 . 33.4 1.033 3.908 0.55 35.84 ? HE2 LYS A-2 47 1 
ATOM 1921 H HE2 B LYS A-2 1 47 . 31.746 -3.261 0.294 0.45 32.62 ? HE2 LYS A-2 47 1 
ATOM 1922 H HE2 C LYS A-2 1 47 . 32.246 -1.176 3.386 0 52.92 ? HE2 LYS A-2 47 1 
ATOM 1923 H HE3 A LYS A-2 1 47 . 31.932 1.515 3.523 0.55 35.84 ? HE3 LYS A-2 47 1 
ATOM 1924 H HE3 B LYS A-2 1 47 . 31.309 -1.971 -0.508 0.45 32.62 ? HE3 LYS A-2 47 1 
ATOM 1925 H HE3 C LYS A-2 1 47 . 32.186 0.158 2.519 0 52.92 ? HE3 LYS A-2 47 1 
ATOM 1926 H HZ1 A LYS A-2 1 47 . 31.428 -0.658 3.024 0.55 39.56 ? HZ1 LYS A-2 47 1 
ATOM 1927 H HZ1 B LYS A-2 1 47 . 31.771 -3.114 -2.469 0.45 28.72 ? HZ1 LYS A-2 47 1 
ATOM 1928 H HZ1 C LYS A-2 1 47 . 31.369 -1.084 0.798 0 55.19 ? HZ1 LYS A-2 47 1 
ATOM 1929 H HZ2 A LYS A-2 1 47 . 32.763 -1.098 3.374 0.55 39.56 ? HZ2 LYS A-2 47 1 
ATOM 1930 H HZ2 B LYS A-2 1 47 . 32.172 -4.296 -1.734 0.45 28.72 ? HZ2 LYS A-2 47 1 
ATOM 1931 H HZ2 C LYS A-2 1 47 . 31.424 -2.297 1.588 0 55.19 ? HZ2 LYS A-2 47 1 
ATOM 1932 H HZ3 A LYS A-2 1 47 . 31.874 -0.594 4.401 0.55 39.56 ? HZ3 LYS A-2 47 1 
ATOM 1933 H HZ3 B LYS A-2 1 47 . 30.79 -3.862 -1.71 0.45 28.72 ? HZ3 LYS A-2 47 1 
ATOM 1934 H HZ3 C LYS A-2 1 47 . 30.494 -1.244 1.942 0 55.19 ? HZ3 LYS A-2 47 1 
ATOM 1935 N N . THR A-2 1 49 . 34.034 -3.753 -5.684 0.76 23.97 ? N THR A-2 49 1 
ATOM 1936 C CA . THR A-2 1 49 . 33.179 -4.917 -5.447 1 25.06 ? CA THR A-2 49 1 
ATOM 1937 C C . THR A-2 1 49 . 33.406 -5.561 -4.042 0.87 22.97 ? C THR A-2 49 1 
ATOM 1938 O O . THR A-2 1 49 . 32.476 -5.948 -3.374 1 25.23 ? O THR A-2 49 1 
ATOM 1939 C CB . THR A-2 1 49 . 33.366 -5.956 -6.527 0.71 27.57 ? CB THR A-2 49 1 
ATOM 1940 O OG1 . THR A-2 1 49 . 32.995 -5.387 -7.788 0.53 29.04 ? OG1 THR A-2 49 1 
ATOM 1941 C CG2 . THR A-2 1 49 . 32.491 -7.182 -6.255 0.42 28.25 ? CG2 THR A-2 49 1 
ATOM 1942 H H . THR A-2 1 49 . 34.245 -3.636 -6.51 0.76 28.76 ? H THR A-2 49 1 
ATOM 1943 H HA . THR A-2 1 49 . 32.254 -4.627 -5.484 1 30.07 ? HA THR A-2 49 1 
ATOM 1944 H HB . THR A-2 1 49 . 34.295 -6.236 -6.555 0.71 33.08 ? HB THR A-2 49 1 
ATOM 1945 H HG1 . THR A-2 1 49 . 33.477 -4.72 -7.955 0.53 34.84 ? HG1 THR A-2 49 1 
ATOM 1946 H HG21 . THR A-2 1 49 . 31.556 -6.923 -6.233 0.42 33.9 ? HG21 THR A-2 49 1 
ATOM 1947 H HG22 . THR A-2 1 49 . 32.73 -7.576 -5.402 0.42 33.9 ? HG22 THR A-2 49 1 
ATOM 1948 H HG23 . THR A-2 1 49 . 32.619 -7.842 -6.954 0.42 33.9 ? HG23 THR A-2 49 1 
ATOM 1949 N N . VAL A-2 1 50 . 34.622 -5.628 -3.59 1 23.46 ? N VAL A-2 50 1 
ATOM 1950 C CA . VAL A-2 1 50 . 35.031 -6.117 -2.25 1 20.02 ? CA VAL A-2 50 1 
ATOM 1951 C C . VAL A-2 1 50 . 35.858 -4.988 -1.587 1 18.68 ? C VAL A-2 50 1 
ATOM 1952 O O . VAL A-2 1 50 . 36.176 -3.977 -2.186 1 24.31 ? O VAL A-2 50 1 
ATOM 1953 C CB . VAL A-2 1 50 . 35.88 -7.381 -2.346 1 20.17 ? CB VAL A-2 50 1 
ATOM 1954 C CG1 . VAL A-2 1 50 . 35.047 -8.526 -2.905 1 20.75 ? CG1 VAL A-2 50 1 
ATOM 1955 C CG2 . VAL A-2 1 50 . 37.14 -7.093 -3.149 1 20.98 ? CG2 VAL A-2 50 1 
ATOM 1956 H H . VAL A-2 1 50 . 35.299 -5.382 -4.06 1 28.15 ? H VAL A-2 50 1 
ATOM 1957 H HA . VAL A-2 1 50 . 34.248 -6.3 -1.708 1 24.03 ? HA VAL A-2 50 1 
ATOM 1958 H HB . VAL A-2 1 50 . 36.157 -7.632 -1.451 1 24.2 ? HB VAL A-2 50 1 
ATOM 1959 H HG11 . VAL A-2 1 50 . 35.601 -9.32 -2.959 1 24.91 ? HG11 VAL A-2 50 1 
ATOM 1960 H HG12 . VAL A-2 1 50 . 34.295 -8.686 -2.314 1 24.91 ? HG12 VAL A-2 50 1 
ATOM 1961 H HG13 . VAL A-2 1 50 . 34.729 -8.282 -3.788 1 24.91 ? HG13 VAL A-2 50 1 
ATOM 1962 H HG21 . VAL A-2 1 50 . 37.132 -6.164 -3.428 1 25.18 ? HG21 VAL A-2 50 1 
ATOM 1963 H HG22 . VAL A-2 1 50 . 37.916 -7.264 -2.591 1 25.18 ? HG22 VAL A-2 50 1 
ATOM 1964 H HG23 . VAL A-2 1 50 . 37.158 -7.673 -3.926 1 25.18 ? HG23 VAL A-2 50 1 
ATOM 1965 N N . SER A-2 1 51 . 36.106 -5.126 -0.339 1 19.83 ? N SER A-2 51 1 
ATOM 1966 C CA A SER A-2 1 51 . 37.102 -4.284 0.255 0.77 19.22 ? CA SER A-2 51 1 
ATOM 1967 C CA B SER A-2 1 51 . 37.087 -4.288 0.313 0.23 20.41 ? CA SER A-2 51 1 
ATOM 1968 C C . SER A-2 1 51 . 38.464 -4.9 0.068 1 19.05 ? C SER A-2 51 1 
ATOM 1969 O O . SER A-2 1 51 . 38.626 -6.129 0.211 1 23.01 ? O SER A-2 51 1 
ATOM 1970 C CB A SER A-2 1 51 . 36.759 -4.101 1.723 0.77 22.66 ? CB SER A-2 51 1 
ATOM 1971 C CB B SER A-2 1 51 . 36.772 -4.203 1.809 0.23 23.29 ? CB SER A-2 51 1 
ATOM 1972 O OG A SER A-2 1 51 . 35.549 -3.411 1.779 0.77 26.4 ? OG SER A-2 51 1 
ATOM 1973 O OG B SER A-2 1 51 . 36.991 -5.449 2.448 0.23 25.69 ? OG SER A-2 51 1 
ATOM 1974 H H A SER A-2 1 51 . 35.726 -5.684 0.193 0.77 23.8 ? H SER A-2 51 1 
ATOM 1975 H H B SER A-2 1 51 . 35.726 -5.697 0.178 0.23 23.8 ? H SER A-2 51 1 
ATOM 1976 H HA A SER A-2 1 51 . 37.094 -3.415 -0.176 0.77 23.06 ? HA SER A-2 51 1 
ATOM 1977 H HA B SER A-2 1 51 . 37.065 -3.395 -0.066 0.23 24.5 ? HA SER A-2 51 1 
ATOM 1978 H HB2 A SER A-2 1 51 . 36.662 -4.967 2.147 0.77 27.19 ? HB2 SER A-2 51 1 
ATOM 1979 H HB2 B SER A-2 1 51 . 37.349 -3.536 2.214 0.23 27.95 ? HB2 SER A-2 51 1 
ATOM 1980 H HB3 A SER A-2 1 51 . 37.453 -3.58 2.159 0.77 27.19 ? HB3 SER A-2 51 1 
ATOM 1981 H HB3 B SER A-2 1 51 . 35.843 -3.951 1.922 0.23 27.95 ? HB3 SER A-2 51 1 
ATOM 1982 H HG A SER A-2 1 51 . 35.626 -2.664 1.402 0.77 31.68 ? HG SER A-2 51 1 
ATOM 1983 H HG B SER A-2 1 51 . 36.498 -6.037 2.107 0.23 30.83 ? HG SER A-2 51 1 
ATOM 1984 N N . GLN A-2 1 52 . 39.425 -4.056 -0.29 1 14.8 ? N GLN A-2 52 1 
ATOM 1985 C CA . GLN A-2 1 52 . 40.777 -4.541 -0.378 1 15.85 ? CA GLN A-2 52 1 
ATOM 1986 C C . GLN A-2 1 52 . 41.624 -3.924 0.687 1 13.15 ? C GLN A-2 52 1 
ATOM 1987 O O . GLN A-2 1 52 . 41.453 -2.758 1.084 1 14.99 ? O GLN A-2 52 1 
ATOM 1988 C CB . GLN A-2 1 52 . 41.303 -4.345 -1.726 1 17.84 ? CB GLN A-2 52 1 
ATOM 1989 C CG . GLN A-2 1 52 . 41.515 -2.973 -2.006 1 16.84 ? CG GLN A-2 52 1 
ATOM 1990 C CD . GLN A-2 1 52 . 41.991 -2.773 -3.45 1 19.29 ? CD GLN A-2 52 1 
ATOM 1991 O OE1 . GLN A-2 1 52 . 43.106 -3.152 -3.813 1 20.61 ? OE1 GLN A-2 52 1 
ATOM 1992 N NE2 . GLN A-2 1 52 . 41.13 -2.222 -4.288 1 22.31 ? NE2 GLN A-2 52 1 
ATOM 1993 H H . GLN A-2 1 52 . 39.317 -3.225 -0.481 1 17.76 ? H GLN A-2 52 1 
ATOM 1994 H HA . GLN A-2 1 52 . 40.766 -5.497 -0.214 1 19.02 ? HA GLN A-2 52 1 
ATOM 1995 H HB2 . GLN A-2 1 52 . 42.152 -4.807 -1.809 1 21.4 ? HB2 GLN A-2 52 1 
ATOM 1996 H HB3 . GLN A-2 1 52 . 40.667 -4.691 -2.371 1 21.4 ? HB3 GLN A-2 52 1 
ATOM 1997 H HG2 . GLN A-2 1 52 . 40.684 -2.489 -1.888 1 20.21 ? HG2 GLN A-2 52 1 
ATOM 1998 H HG3 . GLN A-2 1 52 . 42.196 -2.624 -1.409 1 20.21 ? HG3 GLN A-2 52 1 
ATOM 1999 H HE21 . GLN A-2 1 52 . 41.352 -2.09 -5.109 1 26.77 ? HE21 GLN A-2 52 1 
ATOM 2000 H HE22 . GLN A-2 1 52 . 40.347 -1.996 -4.014 1 26.77 ? HE22 GLN A-2 52 1 
ATOM 2001 N N . MET A-2 1 53 . 42.534 -4.722 1.195 1 11.91 ? N MET A-2 53 1 
ATOM 2002 C CA . MET A-2 1 53 . 43.42 -4.291 2.252 1 11.19 ? CA MET A-2 53 1 
ATOM 2003 C C . MET A-2 1 53 . 44.697 -3.774 1.66 1 11.15 ? C MET A-2 53 1 
ATOM 2004 O O . MET A-2 1 53 . 45.441 -4.562 1.063 1 13.98 ? O MET A-2 53 1 
ATOM 2005 C CB . MET A-2 1 53 . 43.695 -5.433 3.244 1 12.67 ? CB MET A-2 53 1 
ATOM 2006 C CG . MET A-2 1 53 . 44.438 -5.003 4.472 1 14.19 ? CG MET A-2 53 1 
ATOM 2007 S SD . MET A-2 1 53 . 44.876 -6.3 5.582 1 14.63 ? SD MET A-2 53 1 
ATOM 2008 C CE . MET A-2 1 53 . 46.268 -6.958 4.67 1 18.18 ? CE MET A-2 53 1 
ATOM 2009 H H . MET A-2 1 53 . 42.662 -5.533 0.941 1 14.29 ? H MET A-2 53 1 
ATOM 2010 H HA . MET A-2 1 53 . 42.991 -3.573 2.743 1 13.43 ? HA MET A-2 53 1 
ATOM 2011 H HB2 . MET A-2 1 53 . 42.849 -5.813 3.527 1 15.2 ? HB2 MET A-2 53 1 
ATOM 2012 H HB3 . MET A-2 1 53 . 44.228 -6.111 2.798 1 15.2 ? HB3 MET A-2 53 1 
ATOM 2013 H HG2 . MET A-2 1 53 . 45.259 -4.565 4.198 1 17.02 ? HG2 MET A-2 53 1 
ATOM 2014 H HG3 . MET A-2 1 53 . 43.884 -4.376 4.962 1 17.02 ? HG3 MET A-2 53 1 
ATOM 2015 H HE1 . MET A-2 1 53 . 45.963 -7.252 3.797 1 21.81 ? HE1 MET A-2 53 1 
ATOM 2016 H HE2 . MET A-2 1 53 . 46.937 -6.263 4.57 1 21.81 ? HE2 MET A-2 53 1 
ATOM 2017 H HE3 . MET A-2 1 53 . 46.641 -7.707 5.161 1 21.81 ? HE3 MET A-2 53 1 
ATOM 2018 N N . VAL A-2 1 54 . 44.972 -2.501 1.827 1 10.52 ? N VAL A-2 54 1 
ATOM 2019 C CA . VAL A-2 1 54 . 46.118 -1.83 1.242 1 10.41 ? CA VAL A-2 54 1 
ATOM 2020 C C . VAL A-2 1 54 . 47.155 -1.606 2.349 1 9.87 ? C VAL A-2 54 1 
ATOM 2021 O O . VAL A-2 1 54 . 46.849 -0.952 3.357 1 10.81 ? O VAL A-2 54 1 
ATOM 2022 C CB . VAL A-2 1 54 . 45.73 -0.495 0.615 1 11.32 ? CB VAL A-2 54 1 
ATOM 2023 C CG1 . VAL A-2 1 54 . 46.91 0.08 -0.154 1 11.79 ? CG1 VAL A-2 54 1 
ATOM 2024 C CG2 . VAL A-2 1 54 . 44.489 -0.628 -0.282 1 12.8 ? CG2 VAL A-2 54 1 
ATOM 2025 H H . VAL A-2 1 54 . 44.485 -1.974 2.3 1 12.63 ? H VAL A-2 54 1 
ATOM 2026 H HA . VAL A-2 1 54 . 46.512 -2.392 0.557 1 12.49 ? HA VAL A-2 54 1 
ATOM 2027 H HB . VAL A-2 1 54 . 45.512 0.128 1.326 1 13.59 ? HB VAL A-2 54 1 
ATOM 2028 H HG11 . VAL A-2 1 54 . 46.647 0.928 -0.546 1 14.15 ? HG11 VAL A-2 54 1 
ATOM 2029 H HG12 . VAL A-2 1 54 . 47.65 0.213 0.458 1 14.15 ? HG12 VAL A-2 54 1 
ATOM 2030 H HG13 . VAL A-2 1 54 . 47.164 -0.544 -0.852 1 14.15 ? HG13 VAL A-2 54 1 
ATOM 2031 H HG21 . VAL A-2 1 54 . 44.192 -1.551 -0.274 1 15.36 ? HG21 VAL A-2 54 1 
ATOM 2032 H HG22 . VAL A-2 1 54 . 43.789 -0.051 0.06 1 15.36 ? HG22 VAL A-2 54 1 
ATOM 2033 H HG23 . VAL A-2 1 54 . 44.724 -0.364 -1.186 1 15.36 ? HG23 VAL A-2 54 1 
ATOM 2034 N N . TYR A-2 1 55 . 48.365 -2.092 2.168 1 9.77 ? N TYR A-2 55 1 
ATOM 2035 C CA . TYR A-2 1 55 . 49.416 -1.794 3.12 1 9.91 ? CA TYR A-2 55 1 
ATOM 2036 C C . TYR A-2 1 55 . 49.903 -0.365 2.94 1 9.35 ? C TYR A-2 55 1 
ATOM 2037 O O . TYR A-2 1 55 . 50.26 0.052 1.839 1 10.14 ? O TYR A-2 55 1 
ATOM 2038 C CB . TYR A-2 1 55 . 50.603 -2.771 2.988 1 10.52 ? CB TYR A-2 55 1 
ATOM 2039 C CG . TYR A-2 1 55 . 50.323 -4.101 3.63 1 10.51 ? CG TYR A-2 55 1 
ATOM 2040 C CD1 . TYR A-2 1 55 . 50.504 -4.244 4.997 1 11.17 ? CD1 TYR A-2 55 1 
ATOM 2041 C CD2 . TYR A-2 1 55 . 49.893 -5.178 2.932 1 11.78 ? CD2 TYR A-2 55 1 
ATOM 2042 C CE1 . TYR A-2 1 55 . 50.212 -5.443 5.642 1 11.38 ? CE1 TYR A-2 55 1 
ATOM 2043 C CE2 . TYR A-2 1 55 . 49.621 -6.389 3.55 1 13.21 ? CE2 TYR A-2 55 1 
ATOM 2044 C CZ . TYR A-2 1 55 . 49.766 -6.515 4.921 1 11.74 ? CZ TYR A-2 55 1 
ATOM 2045 O OH . TYR A-2 1 55 . 49.43 -7.712 5.496 1 12.99 ? OH TYR A-2 55 1 
ATOM 2046 H H . TYR A-2 1 55 . 48.605 -2.591 1.511 1 11.72 ? H TYR A-2 55 1 
ATOM 2047 H HA . TYR A-2 1 55 . 49.06 -1.877 4.018 1 11.89 ? HA TYR A-2 55 1 
ATOM 2048 H HB2 . TYR A-2 1 55 . 50.785 -2.923 2.047 1 12.62 ? HB2 TYR A-2 55 1 
ATOM 2049 H HB3 . TYR A-2 1 55 . 51.381 -2.385 3.42 1 12.62 ? HB3 TYR A-2 55 1 
ATOM 2050 H HD1 . TYR A-2 1 55 . 50.785 -3.512 5.499 1 13.41 ? HD1 TYR A-2 55 1 
ATOM 2051 H HD2 . TYR A-2 1 55 . 49.769 -5.102 2.013 1 14.14 ? HD2 TYR A-2 55 1 
ATOM 2052 H HE1 . TYR A-2 1 55 . 50.319 -5.514 6.564 1 13.66 ? HE1 TYR A-2 55 1 
ATOM 2053 H HE2 . TYR A-2 1 55 . 49.301 -7.104 3.049 1 15.85 ? HE2 TYR A-2 55 1 
ATOM 2054 H HH . TYR A-2 1 55 . 49.177 -8.253 4.905 1 15.59 ? HH TYR A-2 55 1 
ATOM 2055 N N . LYS A-2 1 56 . 49.974 0.381 4.034 1 9.85 ? N LYS A-2 56 1 
ATOM 2056 C CA . LYS A-2 1 56 . 50.476 1.761 3.951 1 10.21 ? CA LYS A-2 56 1 
ATOM 2057 C C . LYS A-2 1 56 . 51.848 1.848 3.355 1 10.14 ? C LYS A-2 56 1 
ATOM 2058 O O . LYS A-2 1 56 . 52.14 2.799 2.648 1 10.4 ? O LYS A-2 56 1 
ATOM 2059 C CB . LYS A-2 1 56 . 50.46 2.403 5.323 1 10.61 ? CB LYS A-2 56 1 
ATOM 2060 C CG . LYS A-2 1 56 . 49.094 2.681 5.892 1 10.86 ? CG LYS A-2 56 1 
ATOM 2061 C CD . LYS A-2 1 56 . 49.243 3.289 7.287 1 12.11 ? CD LYS A-2 56 1 
ATOM 2062 C CE . LYS A-2 1 56 . 47.954 3.532 7.969 1 12.75 ? CE LYS A-2 56 1 
ATOM 2063 N NZ . LYS A-2 1 56 . 48.216 4.131 9.306 1 13.6 ? NZ LYS A-2 56 1 
ATOM 2064 H H . LYS A-2 1 56 . 49.743 0.126 4.823 1 11.83 ? H LYS A-2 56 1 
ATOM 2065 H HA . LYS A-2 1 56 . 49.878 2.272 3.382 1 12.26 ? HA LYS A-2 56 1 
ATOM 2066 H HB2 . LYS A-2 1 56 . 50.918 1.814 5.943 1 12.73 ? HB2 LYS A-2 56 1 
ATOM 2067 H HB3 . LYS A-2 1 56 . 50.932 3.249 5.272 1 12.73 ? HB3 LYS A-2 56 1 
ATOM 2068 H HG2 . LYS A-2 1 56 . 48.628 3.316 5.325 1 13.03 ? HG2 LYS A-2 56 1 
ATOM 2069 H HG3 . LYS A-2 1 56 . 48.595 1.854 5.965 1 13.03 ? HG3 LYS A-2 56 1 
ATOM 2070 H HD2 . LYS A-2 1 56 . 49.761 2.683 7.839 1 14.53 ? HD2 LYS A-2 56 1 
ATOM 2071 H HD3 . LYS A-2 1 56 . 49.703 4.139 7.211 1 14.53 ? HD3 LYS A-2 56 1 
ATOM 2072 H HE2 . LYS A-2 1 56 . 47.42 4.152 7.449 1 15.3 ? HE2 LYS A-2 56 1 
ATOM 2073 H HE3 . LYS A-2 1 56 . 47.485 2.692 8.091 1 15.3 ? HE3 LYS A-2 56 1 
ATOM 2074 H HZ1 . LYS A-2 1 56 . 47.447 4.283 9.727 1 16.32 ? HZ1 LYS A-2 56 1 
ATOM 2075 H HZ2 . LYS A-2 1 56 . 48.71 3.577 9.796 1 16.32 ? HZ2 LYS A-2 56 1 
ATOM 2076 H HZ3 . LYS A-2 1 56 . 48.652 4.903 9.213 1 16.32 ? HZ3 LYS A-2 56 1 
ATOM 2077 N N . HIS A-2 1 57 . 52.727 0.864 3.62 1 10.56 ? N HIS A-2 57 1 
ATOM 2078 C CA . HIS A-2 1 57 . 54.072 0.914 3.082 1 10.98 ? CA HIS A-2 57 1 
ATOM 2079 C C . HIS A-2 1 57 . 54.071 0.968 1.543 1 11.29 ? C HIS A-2 57 1 
ATOM 2080 O O . HIS A-2 1 57 . 55.095 1.361 0.953 1 12.96 ? O HIS A-2 57 1 
ATOM 2081 C CB . HIS A-2 1 57 . 54.953 -0.248 3.588 1 11.81 ? CB HIS A-2 57 1 
ATOM 2082 C CG . HIS A-2 1 57 . 54.442 -1.619 3.264 1 11.05 ? CG HIS A-2 57 1 
ATOM 2083 N ND1 . HIS A-2 1 57 . 54.134 -2.516 4.266 1 11.67 ? ND1 HIS A-2 57 1 
ATOM 2084 C CD2 . HIS A-2 1 57 . 54.21 -2.229 2.083 1 11.25 ? CD2 HIS A-2 57 1 
ATOM 2085 C CE1 . HIS A-2 1 57 . 53.743 -3.62 3.675 1 11.27 ? CE1 HIS A-2 57 1 
ATOM 2086 N NE2 . HIS A-2 1 57 . 53.8 -3.485 2.368 1 10.91 ? NE2 HIS A-2 57 1 
ATOM 2087 H H . HIS A-2 1 57 . 52.559 0.173 4.103 1 12.67 ? H HIS A-2 57 1 
ATOM 2088 H HA . HIS A-2 1 57 . 54.486 1.735 3.392 1 13.18 ? HA HIS A-2 57 1 
ATOM 2089 H HB2 . HIS A-2 1 57 . 55.834 -0.163 3.191 1 14.17 ? HB2 HIS A-2 57 1 
ATOM 2090 H HB3 . HIS A-2 1 57 . 55.024 -0.183 4.553 1 14.17 ? HB3 HIS A-2 57 1 
ATOM 2091 H HD2 . HIS A-2 1 57 . 54.345 -1.868 1.237 1 13.5 ? HD2 HIS A-2 57 1 
ATOM 2092 H HE1 . HIS A-2 1 57 . 53.475 -4.393 4.118 1 13.52 ? HE1 HIS A-2 57 1 
ATOM 2093 H HE2 . HIS A-2 1 57 . 53.57 -4.08 1.792 1 13.1 ? HE2 HIS A-2 57 1 
ATOM 2094 N N . ALA A-2 1 58 . 52.993 0.539 0.905 1 10.26 ? N ALA A-2 58 1 
ATOM 2095 C CA . ALA A-2 1 58 . 52.867 0.536 -0.543 1 11.36 ? CA ALA A-2 58 1 
ATOM 2096 C C . ALA A-2 1 58 . 52.238 1.828 -1.09 1 10.37 ? C ALA A-2 58 1 
ATOM 2097 O O . ALA A-2 1 58 . 52.138 1.962 -2.287 1 12.76 ? O ALA A-2 58 1 
ATOM 2098 C CB . ALA A-2 1 58 . 52.066 -0.645 -1.013 1 12.21 ? CB ALA A-2 58 1 
ATOM 2099 H H . ALA A-2 1 58 . 52.296 0.234 1.305 1 12.31 ? H ALA A-2 58 1 
ATOM 2100 H HA . ALA A-2 1 58 . 53.753 0.458 -0.929 1 13.63 ? HA ALA A-2 58 1 
ATOM 2101 H HB1 . ALA A-2 1 58 . 51.18 -0.601 -0.619 1 14.65 ? HB1 ALA A-2 58 1 
ATOM 2102 H HB2 . ALA A-2 1 58 . 52 -0.617 -1.98 1 14.65 ? HB2 ALA A-2 58 1 
ATOM 2103 H HB3 . ALA A-2 1 58 . 52.511 -1.459 -0.734 1 14.65 ? HB3 ALA A-2 58 1 
ATOM 2104 N N . ILE A-2 1 59 . 51.763 2.704 -0.209 1 10.15 ? N ILE A-2 59 1 
ATOM 2105 C CA . ILE A-2 1 59 . 51.052 3.904 -0.608 1 10.05 ? CA ILE A-2 59 1 
ATOM 2106 C C . ILE A-2 1 59 . 52.041 5.068 -0.736 1 9.78 ? C ILE A-2 59 1 
ATOM 2107 O O . ILE A-2 1 59 . 52.862 5.292 0.139 1 10.92 ? O ILE A-2 59 1 
ATOM 2108 C CB . ILE A-2 1 59 . 49.949 4.266 0.394 1 10.43 ? CB ILE A-2 59 1 
ATOM 2109 C CG1 . ILE A-2 1 59 . 48.941 3.14 0.505 1 10.78 ? CG1 ILE A-2 59 1 
ATOM 2110 C CG2 . ILE A-2 1 59 . 49.295 5.581 0.019 1 11.19 ? CG2 ILE A-2 59 1 
ATOM 2111 C CD1 . ILE A-2 1 59 . 47.861 3.347 1.544 1 11.69 ? CD1 ILE A-2 59 1 
ATOM 2112 H H . ILE A-2 1 59 . 51.844 2.62 0.643 1 12.18 ? H ILE A-2 59 1 
ATOM 2113 H HA . ILE A-2 1 59 . 50.64 3.757 -1.474 1 12.06 ? HA ILE A-2 59 1 
ATOM 2114 H HB . ILE A-2 1 59 . 50.364 4.379 1.263 1 12.52 ? HB ILE A-2 59 1 
ATOM 2115 H HG12 . ILE A-2 1 59 . 48.503 3.032 -0.354 1 12.93 ? HG12 ILE A-2 59 1 
ATOM 2116 H HG13 . ILE A-2 1 59 . 49.414 2.324 0.734 1 12.93 ? HG13 ILE A-2 59 1 
ATOM 2117 H HG21 . ILE A-2 1 59 . 49.968 6.28 0.021 1 13.43 ? HG21 ILE A-2 59 1 
ATOM 2118 H HG22 . ILE A-2 1 59 . 48.906 5.5 -0.866 1 13.43 ? HG22 ILE A-2 59 1 
ATOM 2119 H HG23 . ILE A-2 1 59 . 48.603 5.786 0.668 1 13.43 ? HG23 ILE A-2 59 1 
ATOM 2120 H HD11 . ILE A-2 1 59 . 47.363 4.149 1.325 1 14.03 ? HD11 ILE A-2 59 1 
ATOM 2121 H HD12 . ILE A-2 1 59 . 47.269 2.578 1.539 1 14.03 ? HD12 ILE A-2 59 1 
ATOM 2122 H HD13 . ILE A-2 1 59 . 48.275 3.441 2.415 1 14.03 ? HD13 ILE A-2 59 1 
ATOM 2123 N N . SER A-2 1 60 . 51.902 5.839 -1.818 1 10.41 ? N SER A-2 60 1 
ATOM 2124 C CA A SER A-2 1 60 . 52.608 7.102 -1.902 0.61 10.91 ? CA SER A-2 60 1 
ATOM 2125 C CA B SER A-2 1 60 . 52.558 7.133 -1.993 0.39 11.11 ? CA SER A-2 60 1 
ATOM 2126 C C . SER A-2 1 60 . 51.732 8.268 -1.406 1 10.65 ? C SER A-2 60 1 
ATOM 2127 O O . SER A-2 1 60 . 52.201 9.014 -0.557 1 11.63 ? O SER A-2 60 1 
ATOM 2128 C CB A SER A-2 1 60 . 53.106 7.35 -3.322 0.61 11.58 ? CB SER A-2 60 1 
ATOM 2129 C CB B SER A-2 1 60 . 52.764 7.441 -3.469 0.39 15.38 ? CB SER A-2 60 1 
ATOM 2130 O OG A SER A-2 1 60 . 52.002 7.507 -4.17 0.61 13.75 ? OG SER A-2 60 1 
ATOM 2131 O OG B SER A-2 1 60 . 53.753 6.634 -4.028 0.39 19.4 ? OG SER A-2 60 1 
ATOM 2132 H H A SER A-2 1 60 . 51.414 5.651 -2.501 0.61 12.49 ? H SER A-2 60 1 
ATOM 2133 H H B SER A-2 1 60 . 51.411 5.621 -2.49 0.39 12.49 ? H SER A-2 60 1 
ATOM 2134 H HA A SER A-2 1 60 . 53.386 7.058 -1.324 0.61 13.09 ? HA SER A-2 60 1 
ATOM 2135 H HA B SER A-2 1 60 . 53.423 7.12 -1.555 0.39 13.33 ? HA SER A-2 60 1 
ATOM 2136 H HB2 A SER A-2 1 60 . 53.643 8.156 -3.34 0.61 13.9 ? HB2 SER A-2 60 1 
ATOM 2137 H HB2 B SER A-2 1 60 . 51.931 7.287 -3.941 0.39 18.46 ? HB2 SER A-2 60 1 
ATOM 2138 H HB3 A SER A-2 1 60 . 53.631 6.588 -3.616 0.61 13.9 ? HB3 SER A-2 60 1 
ATOM 2139 H HB3 B SER A-2 1 60 . 53.028 8.37 -3.561 0.39 18.46 ? HB3 SER A-2 60 1 
ATOM 2140 H HG A SER A-2 1 60 . 51.538 8.16 -3.919 0.61 16.5 ? HG SER A-2 60 1 
ATOM 2141 H HG B SER A-2 1 60 . 54.483 6.758 -3.63 0.39 23.28 ? HG SER A-2 60 1 
ATOM 2142 N N . THR A-2 1 61 . 50.52 8.416 -1.934 1 11.45 ? N THR A-2 61 1 
ATOM 2143 C CA A THR A-2 1 61 . 49.67 9.539 -1.596 0.57 11.52 ? CA THR A-2 61 1 
ATOM 2144 C CA B THR A-2 1 61 . 49.702 9.525 -1.534 0.43 12.95 ? CA THR A-2 61 1 
ATOM 2145 C C . THR A-2 1 61 . 48.231 9.11 -1.526 1 11.9 ? C THR A-2 61 1 
ATOM 2146 O O . THR A-2 1 61 . 47.769 8.193 -2.209 1 13.99 ? O THR A-2 61 1 
ATOM 2147 C CB A THR A-2 1 61 . 49.711 10.666 -2.637 0.57 13.95 ? CB THR A-2 61 1 
ATOM 2148 C CB B THR A-2 1 61 . 50.032 10.727 -2.454 0.43 14.74 ? CB THR A-2 61 1 
ATOM 2149 O OG1 A THR A-2 1 61 . 49.151 10.177 -3.852 0.57 19.51 ? OG1 THR A-2 61 1 
ATOM 2150 O OG1 B THR A-2 1 61 . 49.385 11.928 -2.027 0.43 14.55 ? OG1 THR A-2 61 1 
ATOM 2151 C CG2 A THR A-2 1 61 . 51.108 11.164 -2.868 0.57 13.93 ? CG2 THR A-2 61 1 
ATOM 2152 C CG2 B THR A-2 1 61 . 49.653 10.379 -3.812 0.43 19.74 ? CG2 THR A-2 61 1 
ATOM 2153 H H A THR A-2 1 61 . 50.169 7.869 -2.497 0.57 13.73 ? H THR A-2 61 1 
ATOM 2154 H H B THR A-2 1 61 . 50.164 7.891 -2.515 0.43 13.73 ? H THR A-2 61 1 
ATOM 2155 H HA A THR A-2 1 61 . 49.93 9.9 -0.734 0.57 13.82 ? HA THR A-2 61 1 
ATOM 2156 H HA B THR A-2 1 61 . 49.94 9.776 -0.627 0.43 15.54 ? HA THR A-2 61 1 
ATOM 2157 H HB A THR A-2 1 61 . 49.176 11.411 -2.318 0.57 16.74 ? HB THR A-2 61 1 
ATOM 2158 H HB B THR A-2 1 61 . 50.992 10.871 -2.444 0.43 17.69 ? HB THR A-2 61 1 
ATOM 2159 H HG1 A THR A-2 1 61 . 49.594 9.52 -4.128 0.57 23.41 ? HG1 THR A-2 61 1 
ATOM 2160 H HG1 B THR A-2 1 61 . 49.631 12.125 -1.248 0.43 17.46 ? HG1 THR A-2 61 1 
ATOM 2161 H HG21 A THR A-2 1 61 . 51.48 11.506 -2.04 0.57 16.72 ? HG21 THR A-2 61 1 
ATOM 2162 H HG21 B THR A-2 1 61 . 48.703 10.186 -3.851 0.43 23.69 ? HG21 THR A-2 61 1 
ATOM 2163 H HG22 A THR A-2 1 61 . 51.668 10.44 -3.189 0.57 16.72 ? HG22 THR A-2 61 1 
ATOM 2164 H HG22 B THR A-2 1 61 . 49.849 11.116 -4.411 0.43 23.69 ? HG22 THR A-2 61 1 
ATOM 2165 H HG23 A THR A-2 1 61 . 51.102 11.874 -3.529 0.57 16.72 ? HG23 THR A-2 61 1 
ATOM 2166 H HG23 B THR A-2 1 61 . 50.145 9.596 -4.104 0.43 23.69 ? HG23 THR A-2 61 1 
ATOM 2167 N N . VAL A-2 1 62 . 47.492 9.793 -0.652 1 12.18 ? N VAL A-2 62 1 
ATOM 2168 C CA . VAL A-2 1 62 . 46.051 9.681 -0.517 1 12.02 ? CA VAL A-2 62 1 
ATOM 2169 C C . VAL A-2 1 62 . 45.453 11.031 -0.902 1 12.58 ? C VAL A-2 62 1 
ATOM 2170 O O . VAL A-2 1 62 . 45.78 12.05 -0.271 1 13.71 ? O VAL A-2 62 1 
ATOM 2171 C CB . VAL A-2 1 62 . 45.638 9.241 0.891 1 13.06 ? CB VAL A-2 62 1 
ATOM 2172 C CG1 . VAL A-2 1 62 . 44.084 9.153 1.019 1 15.06 ? CG1 VAL A-2 62 1 
ATOM 2173 C CG2 . VAL A-2 1 62 . 46.288 7.926 1.294 1 14.86 ? CG2 VAL A-2 62 1 
ATOM 2174 H H . VAL A-2 1 62 . 47.83 10.358 -0.099 1 14.62 ? H VAL A-2 62 1 
ATOM 2175 H HA . VAL A-2 1 62 . 45.725 9.018 -1.145 1 14.42 ? HA VAL A-2 62 1 
ATOM 2176 H HB . VAL A-2 1 62 . 45.94 9.914 1.519 1 15.67 ? HB VAL A-2 62 1 
ATOM 2177 H HG11 . VAL A-2 1 62 . 43.683 9.399 0.171 1 18.08 ? HG11 VAL A-2 62 1 
ATOM 2178 H HG12 . VAL A-2 1 62 . 43.838 8.244 1.252 1 18.08 ? HG12 VAL A-2 62 1 
ATOM 2179 H HG13 . VAL A-2 1 62 . 43.79 9.764 1.713 1 18.08 ? HG13 VAL A-2 62 1 
ATOM 2180 H HG21 . VAL A-2 1 62 . 46.849 7.616 0.567 1 17.83 ? HG21 VAL A-2 62 1 
ATOM 2181 H HG22 . VAL A-2 1 62 . 46.826 8.071 2.089 1 17.83 ? HG22 VAL A-2 62 1 
ATOM 2182 H HG23 . VAL A-2 1 62 . 45.594 7.275 1.478 1 17.83 ? HG23 VAL A-2 62 1 
ATOM 2183 N N . VAL A-2 1 63 . 44.6 11.063 -1.925 1 13.42 ? N VAL A-2 63 1 
ATOM 2184 C CA . VAL A-2 1 63 . 44.09 12.271 -2.515 1 14.03 ? CA VAL A-2 63 1 
ATOM 2185 C C . VAL A-2 1 63 . 42.56 12.266 -2.423 1 13.78 ? C VAL A-2 63 1 
ATOM 2186 O O . VAL A-2 1 63 . 41.912 11.465 -3.093 1 14.74 ? O VAL A-2 63 1 
ATOM 2187 C CB . VAL A-2 1 63 . 44.541 12.456 -3.962 1 15.65 ? CB VAL A-2 63 1 
ATOM 2188 C CG1 . VAL A-2 1 63 . 44.053 13.813 -4.498 1 18.46 ? CG1 VAL A-2 63 1 
ATOM 2189 C CG2 . VAL A-2 1 63 . 46.044 12.341 -4.105 1 17.75 ? CG2 VAL A-2 63 1 
ATOM 2190 H H . VAL A-2 1 63 . 44.296 10.354 -2.304 1 16.1 ? H VAL A-2 63 1 
ATOM 2191 H HA . VAL A-2 1 63 . 44.415 13.029 -2.004 1 16.84 ? HA VAL A-2 63 1 
ATOM 2192 H HB . VAL A-2 1 63 . 44.138 11.762 -4.505 1 18.78 ? HB VAL A-2 63 1 
ATOM 2193 H HG11 . VAL A-2 1 63 . 43.558 14.269 -3.799 1 22.16 ? HG11 VAL A-2 63 1 
ATOM 2194 H HG12 . VAL A-2 1 63 . 44.822 14.344 -4.759 1 22.16 ? HG12 VAL A-2 63 1 
ATOM 2195 H HG13 . VAL A-2 1 63 . 43.479 13.661 -5.265 1 22.16 ? HG13 VAL A-2 63 1 
ATOM 2196 H HG21 . VAL A-2 1 63 . 46.432 12.169 -3.233 1 21.3 ? HG21 VAL A-2 63 1 
ATOM 2197 H HG22 . VAL A-2 1 63 . 46.249 11.611 -4.709 1 21.3 ? HG22 VAL A-2 63 1 
ATOM 2198 H HG23 . VAL A-2 1 63 . 46.391 13.174 -4.463 1 21.3 ? HG23 VAL A-2 63 1 
ATOM 2199 N N A PRO A-2 1 64 . 41.955 13.123 -1.593 0.4 14.41 ? N PRO A-2 64 1 
ATOM 2200 N N B PRO A-2 1 64 . 41.963 13.121 -1.597 0.6 14.29 ? N PRO A-2 64 1 
ATOM 2201 C CA A PRO A-2 1 64 . 40.495 13.11 -1.595 0.4 16.01 ? CA PRO A-2 64 1 
ATOM 2202 C CA B PRO A-2 1 64 . 40.517 13.226 -1.505 0.6 13.64 ? CA PRO A-2 64 1 
ATOM 2203 C C A PRO A-2 1 64 . 39.942 13.69 -2.872 0.4 17.1 ? C PRO A-2 64 1 
ATOM 2204 C C B PRO A-2 1 64 . 39.934 13.755 -2.813 0.6 12.57 ? C PRO A-2 64 1 
ATOM 2205 O O A PRO A-2 1 64 . 40.573 14.471 -3.554 0.4 20.68 ? O PRO A-2 64 1 
ATOM 2206 O O B PRO A-2 1 64 . 40.543 14.627 -3.444 0.6 13.17 ? O PRO A-2 64 1 
ATOM 2207 C CB A PRO A-2 1 64 . 40.129 14.002 -0.417 0.4 18.1 ? CB PRO A-2 64 1 
ATOM 2208 C CB B PRO A-2 1 64 . 40.355 14.265 -0.377 0.6 15.69 ? CB PRO A-2 64 1 
ATOM 2209 C CG A PRO A-2 1 64 . 41.29 14.944 -0.298 0.4 17.92 ? CG PRO A-2 64 1 
ATOM 2210 C CG B PRO A-2 1 64 . 41.657 14.247 0.385 0.6 15.77 ? CG PRO A-2 64 1 
ATOM 2211 C CD A PRO A-2 1 64 . 42.505 14.146 -0.685 0.4 15.84 ? CD PRO A-2 64 1 
ATOM 2212 C CD B PRO A-2 1 64 . 42.65 14.036 -0.662 0.6 15.97 ? CD PRO A-2 64 1 
ATOM 2213 H HA A PRO A-2 1 64 . 40.151 12.214 -1.456 0.4 19.21 ? HA PRO A-2 64 1 
ATOM 2214 H HA B PRO A-2 1 64 . 40.11 12.382 -1.258 0.6 16.37 ? HA PRO A-2 64 1 
ATOM 2215 H HB2 A PRO A-2 1 64 . 39.311 14.484 -0.61 0.4 21.72 ? HB2 PRO A-2 64 1 
ATOM 2216 H HB2 B PRO A-2 1 64 . 40.197 15.141 -0.762 0.6 18.82 ? HB2 PRO A-2 64 1 
ATOM 2217 H HB3 A PRO A-2 1 64 . 40.035 13.465 0.385 0.4 21.72 ? HB3 PRO A-2 64 1 
ATOM 2218 H HB3 B PRO A-2 1 64 . 39.62 14.006 0.199 0.6 18.82 ? HB3 PRO A-2 64 1 
ATOM 2219 H HG2 A PRO A-2 1 64 . 41.165 15.691 -0.904 0.4 21.51 ? HG2 PRO A-2 64 1 
ATOM 2220 H HG2 B PRO A-2 1 64 . 41.794 15.1 0.828 0.6 18.93 ? HG2 PRO A-2 64 1 
ATOM 2221 H HG3 A PRO A-2 1 64 . 41.364 15.256 0.618 0.4 21.51 ? HG3 PRO A-2 64 1 
ATOM 2222 H HG3 B PRO A-2 1 64 . 41.661 13.516 1.022 0.6 18.93 ? HG3 PRO A-2 64 1 
ATOM 2223 H HD2 A PRO A-2 1 64 . 43.144 14.705 -1.152 0.4 19.01 ? HD2 PRO A-2 64 1 
ATOM 2224 H HD2 B PRO A-2 1 64 . 42.861 14.874 -1.103 0.6 19.17 ? HD2 PRO A-2 64 1 
ATOM 2225 H HD3 A PRO A-2 1 64 . 42.9 13.728 0.097 0.4 19.01 ? HD3 PRO A-2 64 1 
ATOM 2226 H HD3 B PRO A-2 1 64 . 43.443 13.614 -0.297 0.6 19.17 ? HD3 PRO A-2 64 1 
ATOM 2227 N N . SER A-2 1 65 . 38.729 13.284 -3.178 1 14.69 ? N SER A-2 65 1 
ATOM 2228 C CA . SER A-2 1 65 . 38.059 13.805 -4.357 1 15.84 ? CA SER A-2 65 1 
ATOM 2229 C C . SER A-2 1 65 . 37.517 15.218 -4.155 1 16.17 ? C SER A-2 65 1 
ATOM 2230 O O . SER A-2 1 65 . 37.197 15.868 -5.161 1 18.72 ? O SER A-2 65 1 
ATOM 2231 C CB . SER A-2 1 65 . 36.961 12.849 -4.805 1 17.43 ? CB SER A-2 65 1 
ATOM 2232 O OG . SER A-2 1 65 . 36.002 12.757 -3.779 1 18.35 ? OG SER A-2 65 1 
ATOM 2233 H H A SER A-2 1 65 . 38.272 12.713 -2.726 0.4 17.63 ? H SER A-2 65 1 
ATOM 2234 H H B SER A-2 1 65 . 38.293 12.672 -2.759 0.6 17.63 ? H SER A-2 65 1 
ATOM 2235 H HA . SER A-2 1 65 . 38.709 13.85 -5.076 1 19.01 ? HA SER A-2 65 1 
ATOM 2236 H HB2 . SER A-2 1 65 . 36.542 13.193 -5.61 1 20.92 ? HB2 SER A-2 65 1 
ATOM 2237 H HB3 . SER A-2 1 65 . 37.343 11.973 -4.97 1 20.92 ? HB3 SER A-2 65 1 
ATOM 2238 H HG . SER A-2 1 65 . 35.386 12.234 -4.007 1 22.02 ? HG SER A-2 65 1 
ATOM 2239 N N . ARG A-2 1 66 . 37.379 15.648 -2.902 1 16.03 ? N ARG A-2 66 1 
ATOM 2240 C CA . ARG A-2 1 66 . 36.938 17.011 -2.615 1 17.06 ? CA ARG A-2 66 1 
ATOM 2241 C C . ARG A-2 1 66 . 37.533 17.363 -1.278 1 16.58 ? C ARG A-2 66 1 
ATOM 2242 O O . ARG A-2 1 66 . 37.946 16.457 -0.522 1 16.99 ? O ARG A-2 66 1 
ATOM 2243 C CB . ARG A-2 1 66 . 35.417 17.139 -2.616 1 18.77 ? CB ARG A-2 66 1 
ATOM 2244 C CG . ARG A-2 1 66 . 34.683 16.155 -1.775 1 21 ? CG ARG A-2 66 1 
ATOM 2245 C CD . ARG A-2 1 66 . 34.499 16.513 -0.354 1 24.98 ? CD ARG A-2 66 1 
ATOM 2246 N NE . ARG A-2 1 66 . 33.414 15.795 0.346 1 25.02 ? NE ARG A-2 66 1 
ATOM 2247 C CZ . ARG A-2 1 66 . 33.128 16.026 1.622 1 23.19 ? CZ ARG A-2 66 1 
ATOM 2248 N NH1 . ARG A-2 1 66 . 33.793 17.001 2.29 1 23.76 ? NH1 ARG A-2 66 1 
ATOM 2249 N NH2 . ARG A-2 1 66 . 32.185 15.326 2.214 1 26.1 ? NH2 ARG A-2 66 1 
ATOM 2250 H H . ARG A-2 1 66 . 37.534 15.171 -2.203 1 19.23 ? H ARG A-2 66 1 
ATOM 2251 H HA . ARG A-2 1 66 . 37.299 17.616 -3.281 1 20.47 ? HA ARG A-2 66 1 
ATOM 2252 H HB2 . ARG A-2 1 66 . 35.185 18.025 -2.296 1 22.53 ? HB2 ARG A-2 66 1 
ATOM 2253 H HB3 . ARG A-2 1 66 . 35.103 17.033 -3.528 1 22.53 ? HB3 ARG A-2 66 1 
ATOM 2254 H HG2 . ARG A-2 1 66 . 33.799 16.029 -2.157 1 25.2 ? HG2 ARG A-2 66 1 
ATOM 2255 H HG3 . ARG A-2 1 66 . 35.166 15.315 -1.8 1 25.2 ? HG3 ARG A-2 66 1 
ATOM 2256 H HD2 . ARG A-2 1 66 . 35.325 16.326 0.119 1 29.97 ? HD2 ARG A-2 66 1 
ATOM 2257 H HD3 . ARG A-2 1 66 . 34.303 17.462 -0.3 1 29.97 ? HD3 ARG A-2 66 1 
ATOM 2258 H HE . ARG A-2 1 66 . 32.821 15.395 -0.133 1 30.03 ? HE ARG A-2 66 1 
ATOM 2259 H HH11 . ARG A-2 1 66 . 34.416 17.444 1.897 1 28.51 ? HH11 ARG A-2 66 1 
ATOM 2260 H HH12 . ARG A-2 1 66 . 33.605 17.163 3.114 1 28.51 ? HH12 ARG A-2 66 1 
ATOM 2261 H HH21 . ARG A-2 1 66 . 31.757 14.722 1.775 1 31.32 ? HH21 ARG A-2 66 1 
ATOM 2262 H HH22 . ARG A-2 1 66 . 31.975 15.491 3.032 1 31.32 ? HH22 ARG A-2 66 1 
ATOM 2263 N N . PRO A-2 1 67 . 37.6 18.647 -0.928 1 18.26 ? N PRO A-2 67 1 
ATOM 2264 C CA . PRO A-2 1 67 . 38.202 19.026 0.351 1 18.44 ? CA PRO A-2 67 1 
ATOM 2265 C C . PRO A-2 1 67 . 37.404 18.48 1.519 1 18.03 ? C PRO A-2 67 1 
ATOM 2266 O O . PRO A-2 1 67 . 36.192 18.365 1.441 1 18.98 ? O PRO A-2 67 1 
ATOM 2267 C CB . PRO A-2 1 67 . 38.143 20.574 0.313 1 20.51 ? CB PRO A-2 67 1 
ATOM 2268 C CG . PRO A-2 1 67 . 38.124 20.917 -1.134 1 20.52 ? CG PRO A-2 67 1 
ATOM 2269 C CD . PRO A-2 1 67 . 37.277 19.814 -1.76 1 19.37 ? CD PRO A-2 67 1 
ATOM 2270 H HA . PRO A-2 1 67 . 39.123 18.728 0.406 1 22.12 ? HA PRO A-2 67 1 
ATOM 2271 H HB2 . PRO A-2 1 67 . 37.335 20.882 0.751 1 24.62 ? HB2 PRO A-2 67 1 
ATOM 2272 H HB3 . PRO A-2 1 67 . 38.931 20.942 0.744 1 24.62 ? HB3 PRO A-2 67 1 
ATOM 2273 H HG2 . PRO A-2 1 67 . 37.712 21.786 -1.262 1 24.62 ? HG2 PRO A-2 67 1 
ATOM 2274 H HG3 . PRO A-2 1 67 . 39.027 20.905 -1.489 1 24.62 ? HG3 PRO A-2 67 1 
ATOM 2275 H HD2 . PRO A-2 1 67 . 36.334 20.029 -1.691 1 23.24 ? HD2 PRO A-2 67 1 
ATOM 2276 H HD3 . PRO A-2 1 67 . 37.543 19.661 -2.68 1 23.24 ? HD3 PRO A-2 67 1 
ATOM 2277 N N . VAL A-2 1 68 . 38.094 18.199 2.616 1 19.92 ? N VAL A-2 68 1 
ATOM 2278 C CA A VAL A-2 1 68 . 37.483 17.633 3.81 0.69 20.3 ? CA VAL A-2 68 1 
ATOM 2279 C CA B VAL A-2 1 68 . 37.451 17.656 3.8 0.31 22.7 ? CA VAL A-2 68 1 
ATOM 2280 C C . VAL A-2 1 68 . 37.963 18.359 5.04 1 20.4 ? C VAL A-2 68 1 
ATOM 2281 O O . VAL A-2 1 68 . 39.138 18.715 5.129 1 22.58 ? O VAL A-2 68 1 
ATOM 2282 C CB A VAL A-2 1 68 . 37.756 16.095 3.911 0.69 22.01 ? CB VAL A-2 68 1 
ATOM 2283 C CB B VAL A-2 1 68 . 37.702 16.137 3.921 0.31 27.12 ? CB VAL A-2 68 1 
ATOM 2284 C CG1 A VAL A-2 1 68 . 39.201 15.81 4.307 0.69 23.66 ? CG1 VAL A-2 68 1 
ATOM 2285 C CG1 B VAL A-2 1 68 . 36.786 15.531 4.972 0.31 30.01 ? CG1 VAL A-2 68 1 
ATOM 2286 C CG2 A VAL A-2 1 68 . 36.764 15.423 4.868 0.69 26.25 ? CG2 VAL A-2 68 1 
ATOM 2287 C CG2 B VAL A-2 1 68 . 37.483 15.46 2.572 0.31 27.34 ? CG2 VAL A-2 68 1 
ATOM 2288 H H A VAL A-2 1 68 . 38.94 18.333 2.695 0.69 23.9 ? H VAL A-2 68 1 
ATOM 2289 H H B VAL A-2 1 68 . 38.942 18.316 2.699 0.31 23.9 ? H VAL A-2 68 1 
ATOM 2290 H HA A VAL A-2 1 68 . 36.523 17.756 3.753 0.69 24.36 ? HA VAL A-2 68 1 
ATOM 2291 H HA B VAL A-2 1 68 . 36.494 17.803 3.74 0.31 27.24 ? HA VAL A-2 68 1 
ATOM 2292 H HB A VAL A-2 1 68 . 37.616 15.705 3.034 0.69 26.41 ? HB VAL A-2 68 1 
ATOM 2293 H HB B VAL A-2 1 68 . 38.62 15.983 4.193 0.31 32.55 ? HB VAL A-2 68 1 
ATOM 2294 H HG11 A VAL A-2 1 68 . 39.67 16.652 4.418 0.69 28.39 ? HG11 VAL A-2 68 1 
ATOM 2295 H HG11 B VAL A-2 1 68 . 36.96 14.578 5.031 0.31 36.01 ? HG11 VAL A-2 68 1 
ATOM 2296 H HG12 A VAL A-2 1 68 . 39.207 15.314 5.141 0.69 28.39 ? HG12 VAL A-2 68 1 
ATOM 2297 H HG12 B VAL A-2 1 68 . 36.964 15.954 5.827 0.31 36.01 ? HG12 VAL A-2 68 1 
ATOM 2298 H HG13 A VAL A-2 1 68 . 39.622 15.287 3.607 0.69 28.39 ? HG13 VAL A-2 68 1 
ATOM 2299 H HG13 B VAL A-2 1 68 . 35.864 15.684 4.713 0.31 36.01 ? HG13 VAL A-2 68 1 
ATOM 2300 H HG21 A VAL A-2 1 68 . 36.161 16.096 5.222 0.69 31.5 ? HG21 VAL A-2 68 1 
ATOM 2301 H HG21 B VAL A-2 1 68 . 37.643 14.507 2.667 0.31 32.81 ? HG21 VAL A-2 68 1 
ATOM 2302 H HG22 A VAL A-2 1 68 . 36.261 14.751 4.381 0.69 31.5 ? HG22 VAL A-2 68 1 
ATOM 2303 H HG22 B VAL A-2 1 68 . 36.568 15.614 2.286 0.31 32.81 ? HG22 VAL A-2 68 1 
ATOM 2304 H HG23 A VAL A-2 1 68 . 37.257 15.007 5.593 0.69 31.5 ? HG23 VAL A-2 68 1 
ATOM 2305 H HG23 B VAL A-2 1 68 . 38.1 15.837 1.926 0.31 32.81 ? HG23 VAL A-2 68 1 
ATOM 2306 N N . SER A-2 1 69 . 37.067 18.551 5.993 1 22.28 ? N SER A-2 69 1 
ATOM 2307 C CA A SER A-2 1 69 . 37.409 19.114 7.293 0.74 25.23 ? CA SER A-2 69 1 
ATOM 2308 C CA B SER A-2 1 69 . 37.424 19.131 7.278 0.26 25.57 ? CA SER A-2 69 1 
ATOM 2309 C C . SER A-2 1 69 . 38.39 18.221 8.009 1 28.28 ? C SER A-2 69 1 
ATOM 2310 O O . SER A-2 1 69 . 38.143 16.994 8.143 1 29.46 ? O SER A-2 69 1 
ATOM 2311 C CB A SER A-2 1 69 . 36.137 19.268 8.12 0.74 27.46 ? CB SER A-2 69 1 
ATOM 2312 C CB B SER A-2 1 69 . 36.181 19.353 8.13 0.26 27.57 ? CB SER A-2 69 1 
ATOM 2313 O OG A SER A-2 1 69 . 36.428 19.809 9.4 0.74 29.62 ? OG SER A-2 69 1 
ATOM 2314 O OG B SER A-2 1 69 . 35.583 18.122 8.493 0.26 29.93 ? OG SER A-2 69 1 
ATOM 2315 H H A SER A-2 1 69 . 36.232 18.358 5.911 0.74 26.74 ? H SER A-2 69 1 
ATOM 2316 H H B SER A-2 1 69 . 36.233 18.351 5.921 0.26 26.74 ? H SER A-2 69 1 
ATOM 2317 H HA A SER A-2 1 69 . 37.811 19.989 7.175 0.74 30.27 ? HA SER A-2 69 1 
ATOM 2318 H HA B SER A-2 1 69 . 37.857 19.987 7.136 0.26 30.69 ? HA SER A-2 69 1 
ATOM 2319 H HB2 A SER A-2 1 69 . 35.528 19.865 7.656 0.74 32.96 ? HB2 SER A-2 69 1 
ATOM 2320 H HB2 B SER A-2 1 69 . 36.432 19.831 8.937 0.26 33.09 ? HB2 SER A-2 69 1 
ATOM 2321 H HB3 A SER A-2 1 69 . 35.726 18.397 8.231 0.74 32.96 ? HB3 SER A-2 69 1 
ATOM 2322 H HB3 B SER A-2 1 69 . 35.54 19.876 7.623 0.26 33.09 ? HB3 SER A-2 69 1 
ATOM 2323 H HG A SER A-2 1 69 . 36.785 20.565 9.318 0.74 35.54 ? HG SER A-2 69 1 
ATOM 2324 H HG B SER A-2 1 69 . 34.9 18.261 8.961 0.26 35.92 ? HG SER A-2 69 1 
ATOM 2325 N N . HIS A-2 1 70 . 39.515 18.794 8.443 1 40.25 ? N HIS A-2 70 1 
ATOM 2326 C CA . HIS A-2 1 70 . 40.518 18.047 9.213 1 58.65 ? CA HIS A-2 70 1 
ATOM 2327 C C . HIS A-2 1 70 . 41.443 18.979 9.983 1 92.95 ? C HIS A-2 70 1 
ATOM 2328 O O . HIS A-2 1 70 . 41.406 20.194 9.796 1 119.89 ? O HIS A-2 70 1 
ATOM 2329 C CB . HIS A-2 1 70 . 41.352 17.14 8.303 1 43.68 ? CB HIS A-2 70 1 
ATOM 2330 C CG . HIS A-2 1 70 . 42.188 17.883 7.308 1 35.21 ? CG HIS A-2 70 1 
ATOM 2331 N ND1 . HIS A-2 1 70 . 41.681 18.357 6.111 1 34.11 ? ND1 HIS A-2 70 1 
ATOM 2332 C CD2 . HIS A-2 1 70 . 43.514 18.188 7.313 1 34.6 ? CD2 HIS A-2 70 1 
ATOM 2333 C CE1 . HIS A-2 1 70 . 42.657 18.946 5.436 1 33.47 ? CE1 HIS A-2 70 1 
ATOM 2334 N NE2 . HIS A-2 1 70 . 43.778 18.848 6.139 1 35.17 ? NE2 HIS A-2 70 1 
ATOM 2335 H H . HIS A-2 1 70 . 39.723 19.618 8.305 1 48.3 ? H HIS A-2 70 1 
ATOM 2336 H HA . HIS A-2 1 70 . 40.062 17.482 9.856 1 70.38 ? HA HIS A-2 70 1 
ATOM 2337 H HB2 . HIS A-2 1 70 . 41.949 16.608 8.853 1 52.41 ? HB2 HIS A-2 70 1 
ATOM 2338 H HB3 . HIS A-2 1 70 . 40.753 16.557 7.81 1 52.41 ? HB3 HIS A-2 70 1 
ATOM 2339 H HD1 . HIS A-2 1 70 . 40.863 18.292 5.854 1 40.93 ? HD1 HIS A-2 70 1 
ATOM 2340 H HD2 . HIS A-2 1 70 . 44.124 17.989 7.986 1 41.52 ? HD2 HIS A-2 70 1 
ATOM 2341 H HE1 . HIS A-2 1 70 . 42.572 19.351 4.604 1 40.16 ? HE1 HIS A-2 70 1 
ATOM 2342 H HE2 . HIS A-2 1 70 . 44.544 19.161 5.903 1 42.21 ? HE2 HIS A-2 70 1 
ATOM 2343 N N . SER A-3 1 6 . 56.394 -16.073 14.384 1 42.4 ? N SER A-3 6 1 
ATOM 2344 C CA . SER A-3 1 6 . 55.642 -17.226 14.868 1 38.11 ? CA SER A-3 6 1 
ATOM 2345 C C . SER A-3 1 6 . 55.425 -18.251 13.75 1 27.53 ? C SER A-3 6 1 
ATOM 2346 O O . SER A-3 1 6 . 55.265 -19.449 14.041 1 30.47 ? O SER A-3 6 1 
ATOM 2347 C CB . SER A-3 1 6 . 54.289 -16.794 15.443 1 44.85 ? CB SER A-3 6 1 
ATOM 2348 O OG . SER A-3 1 6 . 53.485 -17.932 15.701 1 49.08 ? OG SER A-3 6 1 
ATOM 2349 H HA . SER A-3 1 6 . 56.146 -17.656 15.577 1 45.73 ? HA SER A-3 6 1 
ATOM 2350 H HB2 . SER A-3 1 6 . 54.436 -16.312 16.273 1 53.82 ? HB2 SER A-3 6 1 
ATOM 2351 H HB3 . SER A-3 1 6 . 53.838 -16.224 14.801 1 53.82 ? HB3 SER A-3 6 1 
ATOM 2352 H HG . SER A-3 1 6 . 53.867 -18.434 16.254 1 58.9 ? HG SER A-3 6 1 
ATOM 2353 N N . LEU A-3 1 7 . 55.315 -17.773 12.522 1 20.91 ? N LEU A-3 7 1 
ATOM 2354 C CA . LEU A-3 1 7 . 55.24 -18.662 11.376 1 17.82 ? CA LEU A-3 7 1 
ATOM 2355 C C . LEU A-3 1 7 . 56.494 -18.622 10.553 1 15.24 ? C LEU A-3 7 1 
ATOM 2356 O O . LEU A-3 1 7 . 56.976 -19.653 10.059 1 15.55 ? O LEU A-3 7 1 
ATOM 2357 C CB . LEU A-3 1 7 . 54.046 -18.197 10.575 1 21.87 ? CB LEU A-3 7 1 
ATOM 2358 C CG . LEU A-3 1 7 . 53.74 -18.781 9.249 1 32.23 ? CG LEU A-3 7 1 
ATOM 2359 C CD1 . LEU A-3 1 7 . 53.479 -20.262 9.47 1 37.58 ? CD1 LEU A-3 7 1 
ATOM 2360 C CD2 . LEU A-3 1 7 . 52.484 -18.04 8.797 1 35.21 ? CD2 LEU A-3 7 1 
ATOM 2361 H H . LEU A-3 1 7 . 55.282 -16.936 12.324 1 25.1 ? H LEU A-3 7 1 
ATOM 2362 H HA . LEU A-3 1 7 . 55.086 -19.572 11.673 1 21.38 ? HA LEU A-3 7 1 
ATOM 2363 H HB2 . LEU A-3 1 7 . 53.259 -18.342 11.123 1 26.25 ? HB2 LEU A-3 7 1 
ATOM 2364 H HB3 . LEU A-3 1 7 . 54.151 -17.243 10.433 1 26.25 ? HB3 LEU A-3 7 1 
ATOM 2365 H HG . LEU A-3 1 7 . 54.467 -18.647 8.621 1 38.68 ? HG LEU A-3 7 1 
ATOM 2366 H HD11 . LEU A-3 1 7 . 54.272 -20.668 9.854 1 45.1 ? HD11 LEU A-3 7 1 
ATOM 2367 H HD12 . LEU A-3 1 7 . 52.728 -20.362 10.076 1 45.1 ? HD12 LEU A-3 7 1 
ATOM 2368 H HD13 . LEU A-3 1 7 . 53.274 -20.676 8.618 1 45.1 ? HD13 LEU A-3 7 1 
ATOM 2369 H HD21 . LEU A-3 1 7 . 51.776 -18.197 9.441 1 42.25 ? HD21 LEU A-3 7 1 
ATOM 2370 H HD22 . LEU A-3 1 7 . 52.68 -17.092 8.744 1 42.25 ? HD22 LEU A-3 7 1 
ATOM 2371 H HD23 . LEU A-3 1 7 . 52.219 -18.372 7.925 1 42.25 ? HD23 LEU A-3 7 1 
ATOM 2372 N N . GLN A-3 1 8 . 57.094 -17.457 10.413 1 14.65 ? N GLN A-3 8 1 
ATOM 2373 C CA . GLN A-3 1 8 . 58.263 -17.296 9.586 1 13.73 ? CA GLN A-3 8 1 
ATOM 2374 C C . GLN A-3 1 8 . 59.422 -18.194 10.077 1 13.27 ? C GLN A-3 8 1 
ATOM 2375 O O . GLN A-3 1 8 . 60.066 -18.858 9.3 1 13.98 ? O GLN A-3 8 1 
ATOM 2376 C CB . GLN A-3 1 8 . 58.695 -15.829 9.619 1 13.51 ? CB GLN A-3 8 1 
ATOM 2377 C CG . GLN A-3 1 8 . 59.914 -15.597 8.747 1 13.39 ? CG GLN A-3 8 1 
ATOM 2378 C CD . GLN A-3 1 8 . 60.519 -14.207 8.828 1 13.61 ? CD GLN A-3 8 1 
ATOM 2379 O OE1 . GLN A-3 1 8 . 61.549 -13.969 8.181 1 13.58 ? OE1 GLN A-3 8 1 
ATOM 2380 N NE2 . GLN A-3 1 8 . 59.914 -13.299 9.561 1 14.77 ? NE2 GLN A-3 8 1 
ATOM 2381 H H . GLN A-3 1 8 . 56.837 -16.732 10.796 1 17.59 ? H GLN A-3 8 1 
ATOM 2382 H HA . GLN A-3 1 8 . 58.05 -17.535 8.67 1 16.47 ? HA GLN A-3 8 1 
ATOM 2383 H HB2 . GLN A-3 1 8 . 57.973 -15.274 9.287 1 16.22 ? HB2 GLN A-3 8 1 
ATOM 2384 H HB3 . GLN A-3 1 8 . 58.919 -15.582 10.53 1 16.22 ? HB3 GLN A-3 8 1 
ATOM 2385 H HG2 . GLN A-3 1 8 . 60.603 -16.229 9.008 1 16.06 ? HG2 GLN A-3 8 1 
ATOM 2386 H HG3 . GLN A-3 1 8 . 59.665 -15.753 7.823 1 16.06 ? HG3 GLN A-3 8 1 
ATOM 2387 H HE21 . GLN A-3 1 8 . 60.242 -12.505 9.619 1 17.72 ? HE21 GLN A-3 8 1 
ATOM 2388 H HE22 . GLN A-3 1 8 . 59.192 -13.498 9.982 1 17.72 ? HE22 GLN A-3 8 1 
ATOM 2389 N N . ASP A-3 1 9 . 59.721 -18.118 11.364 1 14.81 ? N ASP A-3 9 1 
ATOM 2390 C CA . ASP A-3 1 9 . 60.849 -18.87 11.898 1 16.02 ? CA ASP A-3 9 1 
ATOM 2391 C C . ASP A-3 1 9 . 60.651 -20.393 11.74 1 15.74 ? C ASP A-3 9 1 
ATOM 2392 O O . ASP A-3 1 9 . 61.549 -21.038 11.214 1 16.58 ? O ASP A-3 9 1 
ATOM 2393 C CB . ASP A-3 1 9 . 61.081 -18.449 13.348 1 19.19 ? CB ASP A-3 9 1 
ATOM 2394 C CG . ASP A-3 1 9 . 62.068 -19.278 14.057 1 22.22 ? CG ASP A-3 9 1 
ATOM 2395 O OD1 . ASP A-3 1 9 . 63.267 -19.045 13.917 0.44 22.76 ? OD1 ASP A-3 9 1 
ATOM 2396 O OD2 . ASP A-3 1 9 . 61.661 -20.17 14.802 0.37 21.47 ? OD2 ASP A-3 9 1 
ATOM 2397 H H . ASP A-3 1 9 . 59.295 -17.646 11.944 1 17.78 ? H ASP A-3 9 1 
ATOM 2398 H HA . ASP A-3 1 9 . 61.643 -18.628 11.395 1 19.23 ? HA ASP A-3 9 1 
ATOM 2399 H HB2 . ASP A-3 1 9 . 61.4 -17.533 13.36 1 23.02 ? HB2 ASP A-3 9 1 
ATOM 2400 H HB3 . ASP A-3 1 9 . 60.241 -18.511 13.829 1 23.02 ? HB3 ASP A-3 9 1 
ATOM 2401 N N . PRO A-3 1 10 . 59.496 -20.969 12.119 1 16.43 ? N PRO A-3 10 1 
ATOM 2402 C CA A PRO A-3 1 10 . 59.42 -22.422 11.885 0.94 18.58 ? CA PRO A-3 10 1 
ATOM 2403 C CA B PRO A-3 1 10 . 59.39 -22.416 11.887 0.06 16.46 ? CA PRO A-3 10 1 
ATOM 2404 C C . PRO A-3 1 10 . 59.437 -22.806 10.401 1 16.76 ? C PRO A-3 10 1 
ATOM 2405 O O . PRO A-3 1 10 . 59.942 -23.871 10.077 1 16.14 ? O PRO A-3 10 1 
ATOM 2406 C CB A PRO A-3 1 10 . 58.121 -22.845 12.604 0.94 22.9 ? CB PRO A-3 10 1 
ATOM 2407 C CB B PRO A-3 1 10 . 58.042 -22.784 12.525 0.06 16.72 ? CB PRO A-3 10 1 
ATOM 2408 C CG A PRO A-3 1 10 . 57.463 -21.595 12.938 0.94 22.9 ? CG PRO A-3 10 1 
ATOM 2409 C CG B PRO A-3 1 10 . 57.346 -21.49 12.768 0.06 16.67 ? CG PRO A-3 10 1 
ATOM 2410 C CD A PRO A-3 1 10 . 58.425 -20.483 12.988 0.94 18.61 ? CD PRO A-3 10 1 
ATOM 2411 C CD B PRO A-3 1 10 . 58.391 -20.448 12.934 0.06 15.79 ? CD PRO A-3 10 1 
ATOM 2412 H HA A PRO A-3 1 10 . 60.168 -22.858 12.322 0.94 22.3 ? HA PRO A-3 10 1 
ATOM 2413 H HA B PRO A-3 1 10 . 60.1 -22.88 12.357 0.06 19.75 ? HA PRO A-3 10 1 
ATOM 2414 H HB2 A PRO A-3 1 10 . 57.57 -23.375 12.005 0.94 27.48 ? HB2 PRO A-3 10 1 
ATOM 2415 H HB2 B PRO A-3 1 10 . 57.531 -23.336 11.912 0.06 20.07 ? HB2 PRO A-3 10 1 
ATOM 2416 H HB3 A PRO A-3 1 10 . 58.338 -23.346 13.407 0.94 27.48 ? HB3 PRO A-3 10 1 
ATOM 2417 H HB3 B PRO A-3 1 10 . 58.195 -23.251 13.36 0.06 20.07 ? HB3 PRO A-3 10 1 
ATOM 2418 H HG2 A PRO A-3 1 10 . 56.79 -21.41 12.264 0.94 27.48 ? HG2 PRO A-3 10 1 
ATOM 2419 H HG2 B PRO A-3 1 10 . 56.781 -21.282 12.008 0.06 20 ? HG2 PRO A-3 10 1 
ATOM 2420 H HG3 A PRO A-3 1 10 . 57.036 -21.693 13.804 0.94 27.48 ? HG3 PRO A-3 10 1 
ATOM 2421 H HG3 B PRO A-3 1 10 . 56.811 -21.561 13.575 0.06 20 ? HG3 PRO A-3 10 1 
ATOM 2422 H HD2 A PRO A-3 1 10 . 58.032 -19.673 12.626 0.94 22.33 ? HD2 PRO A-3 10 1 
ATOM 2423 H HD2 B PRO A-3 1 10 . 58.081 -19.598 12.584 0.06 18.94 ? HD2 PRO A-3 10 1 
ATOM 2424 H HD3 A PRO A-3 1 10 . 58.751 -20.352 13.893 0.94 22.33 ? HD3 PRO A-3 10 1 
ATOM 2425 H HD3 B PRO A-3 1 10 . 58.657 -20.377 13.864 0.06 18.94 ? HD3 PRO A-3 10 1 
ATOM 2426 N N . PHE A-3 1 11 . 58.92 -21.96 9.51 1 15.25 ? N PHE A-3 11 1 
ATOM 2427 C CA . PHE A-3 1 11 . 58.943 -22.268 8.09 1 14.68 ? CA PHE A-3 11 1 
ATOM 2428 C C . PHE A-3 1 11 . 60.373 -22.277 7.59 1 13.41 ? C PHE A-3 11 1 
ATOM 2429 O O . PHE A-3 1 11 . 60.815 -23.201 6.932 1 14.32 ? O PHE A-3 11 1 
ATOM 2430 C CB . PHE A-3 1 11 . 58.076 -21.25 7.33 1 14.91 ? CB PHE A-3 11 1 
ATOM 2431 C CG . PHE A-3 1 11 . 57.835 -21.637 5.919 1 15.72 ? CG PHE A-3 11 1 
ATOM 2432 C CD1 . PHE A-3 1 11 . 56.915 -22.663 5.61 1 20.17 ? CD1 PHE A-3 11 1 
ATOM 2433 C CD2 . PHE A-3 1 11 . 58.459 -20.976 4.88 1 16.55 ? CD2 PHE A-3 11 1 
ATOM 2434 C CE1 . PHE A-3 1 11 . 56.644 -22.993 4.29 1 21.93 ? CE1 PHE A-3 11 1 
ATOM 2435 C CE2 . PHE A-3 1 11 . 58.179 -21.316 3.501 1 18.03 ? CE2 PHE A-3 11 1 
ATOM 2436 C CZ . PHE A-3 1 11 . 57.267 -22.315 3.265 1 19.5 ? CZ PHE A-3 11 1 
ATOM 2437 H H . PHE A-3 1 11 . 58.555 -21.208 9.705 1 18.3 ? H PHE A-3 11 1 
ATOM 2438 H HA . PHE A-3 1 11 . 58.567 -23.15 7.949 1 17.62 ? HA PHE A-3 11 1 
ATOM 2439 H HB2 . PHE A-3 1 11 . 57.217 -21.175 7.772 1 17.89 ? HB2 PHE A-3 11 1 
ATOM 2440 H HB3 . PHE A-3 1 11 . 58.526 -20.39 7.332 1 17.89 ? HB3 PHE A-3 11 1 
ATOM 2441 H HD1 . PHE A-3 1 11 . 56.474 -23.109 6.297 1 24.2 ? HD1 PHE A-3 11 1 
ATOM 2442 H HD2 . PHE A-3 1 11 . 59.055 -20.287 5.069 1 19.85 ? HD2 PHE A-3 11 1 
ATOM 2443 H HE1 . PHE A-3 1 11 . 56.04 -23.671 4.097 1 26.31 ? HE1 PHE A-3 11 1 
ATOM 2444 H HE2 . PHE A-3 1 11 . 58.601 -20.873 2.8 1 21.64 ? HE2 PHE A-3 11 1 
ATOM 2445 H HZ . PHE A-3 1 11 . 57.091 -22.566 2.387 1 23.41 ? HZ PHE A-3 11 1 
ATOM 2446 N N . LEU A-3 1 12 . 61.098 -21.192 7.851 1 13.43 ? N LEU A-3 12 1 
ATOM 2447 C CA . LEU A-3 1 12 . 62.506 -21.142 7.436 1 13.5 ? CA LEU A-3 12 1 
ATOM 2448 C C . LEU A-3 1 12 . 63.322 -22.233 8.093 1 13.15 ? C LEU A-3 12 1 
ATOM 2449 O O . LEU A-3 1 12 . 64.211 -22.821 7.429 1 14.08 ? O LEU A-3 12 1 
ATOM 2450 C CB . LEU A-3 1 12 . 63.106 -19.766 7.747 1 14.18 ? CB LEU A-3 12 1 
ATOM 2451 C CG . LEU A-3 1 12 . 62.534 -18.599 6.918 1 13.82 ? CG LEU A-3 12 1 
ATOM 2452 C CD1 . LEU A-3 1 12 . 63.155 -17.328 7.351 1 15.22 ? CD1 LEU A-3 12 1 
ATOM 2453 C CD2 . LEU A-3 1 12 . 62.693 -18.824 5.39 1 16.44 ? CD2 LEU A-3 12 1 
ATOM 2454 H H . LEU A-3 1 12 . 60.812 -20.489 8.255 1 16.12 ? H LEU A-3 12 1 
ATOM 2455 H HA . LEU A-3 1 12 . 62.554 -21.275 6.476 1 16.2 ? HA LEU A-3 12 1 
ATOM 2456 H HB2 . LEU A-3 1 12 . 62.946 -19.565 8.682 1 17.01 ? HB2 LEU A-3 12 1 
ATOM 2457 H HB3 . LEU A-3 1 12 . 64.062 -19.802 7.581 1 17.01 ? HB3 LEU A-3 12 1 
ATOM 2458 H HG . LEU A-3 1 12 . 61.585 -18.532 7.101 1 16.58 ? HG LEU A-3 12 1 
ATOM 2459 H HD11 . LEU A-3 1 12 . 62.96 -17.186 8.29 1 18.26 ? HD11 LEU A-3 12 1 
ATOM 2460 H HD12 . LEU A-3 1 12 . 64.114 -17.384 7.216 1 18.26 ? HD12 LEU A-3 12 1 
ATOM 2461 H HD13 . LEU A-3 1 12 . 62.788 -16.602 6.822 1 18.26 ? HD13 LEU A-3 12 1 
ATOM 2462 H HD21 . LEU A-3 1 12 . 62.222 -19.634 5.139 1 19.72 ? HD21 LEU A-3 12 1 
ATOM 2463 H HD22 . LEU A-3 1 12 . 62.32 -18.063 4.919 1 19.72 ? HD22 LEU A-3 12 1 
ATOM 2464 H HD23 . LEU A-3 1 12 . 63.637 -18.911 5.181 1 19.72 ? HD23 LEU A-3 12 1 
ATOM 2465 N N . ASN A-3 1 13 . 63.06 -22.52 9.35 1 13.9 ? N ASN A-3 13 1 
ATOM 2466 C CA . ASN A-3 1 13 . 63.819 -23.59 9.986 1 14.79 ? CA ASN A-3 13 1 
ATOM 2467 C C . ASN A-3 1 13 . 63.543 -24.944 9.394 1 14.44 ? C ASN A-3 13 1 
ATOM 2468 O O . ASN A-3 1 13 . 64.455 -25.756 9.304 1 14.98 ? O ASN A-3 13 1 
ATOM 2469 C CB . ASN A-3 1 13 . 63.53 -23.582 11.47 1 17.66 ? CB ASN A-3 13 1 
ATOM 2470 C CG . ASN A-3 1 13 . 64.594 -24.253 12.234 1 28.36 ? CG ASN A-3 13 1 
ATOM 2471 O OD1 . ASN A-3 1 13 . 65.756 -23.869 12.128 1 31.7 ? OD1 ASN A-3 13 1 
ATOM 2472 N ND2 . ASN A-3 1 13 . 64.219 -25.276 13.006 1 31.96 ? ND2 ASN A-3 13 1 
ATOM 2473 H H . ASN A-3 1 13 . 62.473 -22.133 9.846 1 16.68 ? H ASN A-3 13 1 
ATOM 2474 H HA . ASN A-3 1 13 . 64.764 -23.408 9.871 1 17.75 ? HA ASN A-3 13 1 
ATOM 2475 H HB2 . ASN A-3 1 13 . 63.467 -22.666 11.779 1 21.19 ? HB2 ASN A-3 13 1 
ATOM 2476 H HB3 . ASN A-3 1 13 . 62.696 -24.05 11.636 1 21.19 ? HB3 ASN A-3 13 1 
ATOM 2477 H HD21 . ASN A-3 1 13 . 64.804 -25.7 13.472 1 38.35 ? HD21 ASN A-3 13 1 
ATOM 2478 H HD22 . ASN A-3 1 13 . 63.391 -25.509 13.038 1 38.35 ? HD22 ASN A-3 13 1 
ATOM 2479 N N . ALA A-3 1 14 . 62.311 -25.195 8.967 1 14.72 ? N ALA A-3 14 1 
ATOM 2480 C CA . ALA A-3 1 14 . 61.995 -26.457 8.339 1 15.49 ? CA ALA A-3 14 1 
ATOM 2481 C C . ALA A-3 1 14 . 62.759 -26.568 7.013 1 14.26 ? C ALA A-3 14 1 
ATOM 2482 O O . ALA A-3 1 14 . 63.317 -27.626 6.706 1 15.89 ? O ALA A-3 14 1 
ATOM 2483 C CB . ALA A-3 1 14 . 60.51 -26.579 8.146 1 16.6 ? CB ALA A-3 14 1 
ATOM 2484 H H . ALA A-3 1 14 . 61.649 -24.651 9.032 1 17.66 ? H ALA A-3 14 1 
ATOM 2485 H HA . ALA A-3 1 14 . 62.285 -27.181 8.916 1 18.59 ? HA ALA A-3 14 1 
ATOM 2486 H HB1 . ALA A-3 1 14 . 60.075 -26.531 9.012 1 19.93 ? HB1 ALA A-3 14 1 
ATOM 2487 H HB2 . ALA A-3 1 14 . 60.205 -25.852 7.581 1 19.93 ? HB2 ALA A-3 14 1 
ATOM 2488 H HB3 . ALA A-3 1 14 . 60.317 -27.43 7.724 1 19.93 ? HB3 ALA A-3 14 1 
ATOM 2489 N N . LEU A-3 1 15 . 62.786 -25.499 6.23 1 14.03 ? N LEU A-3 15 1 
ATOM 2490 C CA . LEU A-3 1 15 . 63.501 -25.524 4.986 1 14.69 ? CA LEU A-3 15 1 
ATOM 2491 C C . LEU A-3 1 15 . 64.961 -25.762 5.212 1 14.5 ? C LEU A-3 15 1 
ATOM 2492 O O . LEU A-3 1 15 . 65.613 -26.514 4.461 1 14.99 ? O LEU A-3 15 1 
ATOM 2493 C CB . LEU A-3 1 15 . 63.281 -24.215 4.23 1 15.47 ? CB LEU A-3 15 1 
ATOM 2494 C CG . LEU A-3 1 15 . 61.853 -24.037 3.744 1 17.7 ? CG LEU A-3 15 1 
ATOM 2495 C CD1 . LEU A-3 1 15 . 61.658 -22.591 3.262 1 19.38 ? CD1 LEU A-3 15 1 
ATOM 2496 C CD2 . LEU A-3 1 15 . 61.45 -25.05 2.657 1 20.36 ? CD2 LEU A-3 15 1 
ATOM 2497 H H . LEU A-3 1 15 . 62.398 -24.752 6.404 1 16.84 ? H LEU A-3 15 1 
ATOM 2498 H HA . LEU A-3 1 15 . 63.16 -26.249 4.438 1 17.63 ? HA LEU A-3 15 1 
ATOM 2499 H HB2 . LEU A-3 1 15 . 63.49 -23.473 4.819 1 18.56 ? HB2 LEU A-3 15 1 
ATOM 2500 H HB3 . LEU A-3 1 15 . 63.865 -24.197 3.456 1 18.56 ? HB3 LEU A-3 15 1 
ATOM 2501 H HG . LEU A-3 1 15 . 61.257 -24.171 4.497 1 21.24 ? HG LEU A-3 15 1 
ATOM 2502 H HD11 . LEU A-3 1 15 . 60.745 -22.484 2.952 1 23.26 ? HD11 LEU A-3 15 1 
ATOM 2503 H HD12 . LEU A-3 1 15 . 61.831 -21.987 4 1 23.26 ? HD12 LEU A-3 15 1 
ATOM 2504 H HD13 . LEU A-3 1 15 . 62.277 -22.415 2.536 1 23.26 ? HD13 LEU A-3 15 1 
ATOM 2505 H HD21 . LEU A-3 1 15 . 60.532 -24.881 2.393 1 24.43 ? HD21 LEU A-3 15 1 
ATOM 2506 H HD22 . LEU A-3 1 15 . 62.039 -24.945 1.894 1 24.43 ? HD22 LEU A-3 15 1 
ATOM 2507 H HD23 . LEU A-3 1 15 . 61.531 -25.948 3.017 1 24.43 ? HD23 LEU A-3 15 1 
ATOM 2508 N N . ARG A-3 1 16 . 65.536 -25.106 6.207 1 13.56 ? N ARG A-3 16 1 
ATOM 2509 C CA . ARG A-3 1 16 . 66.95 -25.269 6.531 1 14 ? CA ARG A-3 16 1 
ATOM 2510 C C . ARG A-3 1 16 . 67.213 -26.683 6.993 1 14.32 ? C ARG A-3 16 1 
ATOM 2511 O O . ARG A-3 1 16 . 68.141 -27.351 6.492 1 16.03 ? O ARG A-3 16 1 
ATOM 2512 C CB . ARG A-3 1 16 . 67.296 -24.282 7.656 1 14.94 ? CB ARG A-3 16 1 
ATOM 2513 C CG . ARG A-3 1 16 . 68.722 -24.371 8.068 1 17.06 ? CG ARG A-3 16 1 
ATOM 2514 C CD . ARG A-3 1 16 . 69.001 -23.585 9.348 1 20.14 ? CD ARG A-3 16 1 
ATOM 2515 N NE . ARG A-3 1 16 . 68.279 -24.191 10.476 1 27.12 ? NE ARG A-3 16 1 
ATOM 2516 C CZ . ARG A-3 1 16 . 68.605 -25.35 11.039 1 37.34 ? CZ ARG A-3 16 1 
ATOM 2517 N NH1 . ARG A-3 1 16 . 69.701 -26.01 10.642 1 39.8 ? NH1 ARG A-3 16 1 
ATOM 2518 N NH2 . ARG A-3 1 16 . 67.871 -25.836 12.033 1 40.18 ? NH2 ARG A-3 16 1 
ATOM 2519 H H . ARG A-3 1 16 . 65.124 -24.551 6.719 1 16.27 ? H ARG A-3 16 1 
ATOM 2520 H HA . ARG A-3 1 16 . 67.498 -25.077 5.755 1 16.8 ? HA ARG A-3 16 1 
ATOM 2521 H HB2 . ARG A-3 1 16 . 67.127 -23.378 7.347 1 17.92 ? HB2 ARG A-3 16 1 
ATOM 2522 H HB3 . ARG A-3 1 16 . 66.745 -24.477 8.43 1 17.92 ? HB3 ARG A-3 16 1 
ATOM 2523 H HG2 . ARG A-3 1 16 . 68.949 -25.3 8.228 1 20.47 ? HG2 ARG A-3 16 1 
ATOM 2524 H HG3 . ARG A-3 1 16 . 69.281 -24.008 7.363 1 20.47 ? HG3 ARG A-3 16 1 
ATOM 2525 H HD2 . ARG A-3 1 16 . 69.951 -23.607 9.542 1 24.17 ? HD2 ARG A-3 16 1 
ATOM 2526 H HD3 . ARG A-3 1 16 . 68.694 -22.672 9.241 1 24.17 ? HD3 ARG A-3 16 1 
ATOM 2527 H HE . ARG A-3 1 16 . 67.6 -23.769 10.792 1 32.55 ? HE ARG A-3 16 1 
ATOM 2528 H HH11 . ARG A-3 1 16 . 70.177 -25.704 9.994 1 47.76 ? HH11 ARG A-3 16 1 
ATOM 2529 H HH12 . ARG A-3 1 16 . 69.915 -26.754 11.018 1 47.76 ? HH12 ARG A-3 16 1 
ATOM 2530 H HH21 . ARG A-3 1 16 . 67.176 -25.408 12.303 1 48.21 ? HH21 ARG A-3 16 1 
ATOM 2531 H HH22 . ARG A-3 1 16 . 68.098 -26.573 12.415 1 48.21 ? HH22 ARG A-3 16 1 
ATOM 2532 N N . ARG A-3 1 17 . 66.457 -27.19 7.965 1 15.46 ? N ARG A-3 17 1 
ATOM 2533 C CA . ARG A-3 1 17 . 66.695 -28.49 8.539 1 18.16 ? CA ARG A-3 17 1 
ATOM 2534 C C . ARG A-3 1 17 . 66.57 -29.594 7.479 1 18.03 ? C ARG A-3 17 1 
ATOM 2535 O O . ARG A-3 1 17 . 67.364 -30.542 7.429 1 19.82 ? O ARG A-3 17 1 
ATOM 2536 C CB . ARG A-3 1 17 . 65.665 -28.719 9.65 1 22.42 ? CB ARG A-3 17 1 
ATOM 2537 C CG . ARG A-3 1 17 . 65.699 -30.094 10.307 1 31.87 ? CG ARG A-3 17 1 
ATOM 2538 C CD . ARG A-3 1 17 . 64.499 -30.276 11.237 1 40.81 ? CD ARG A-3 17 1 
ATOM 2539 N NE . ARG A-3 1 17 . 63.241 -30.406 10.501 1 50.12 ? NE ARG A-3 17 1 
ATOM 2540 C CZ . ARG A-3 1 17 . 62.195 -29.581 10.617 1 55.05 ? CZ ARG A-3 17 1 
ATOM 2541 N NH1 . ARG A-3 1 17 . 62.216 -28.546 11.462 1 53.28 ? NH1 ARG A-3 17 1 
ATOM 2542 N NH2 . ARG A-3 1 17 . 61.104 -29.798 9.883 1 58.26 ? NH2 ARG A-3 17 1 
ATOM 2543 H H . ARG A-3 1 17 . 65.783 -26.782 8.31 1 18.56 ? H ARG A-3 17 1 
ATOM 2544 H HA . ARG A-3 1 17 . 67.586 -28.523 8.923 1 21.79 ? HA ARG A-3 17 1 
ATOM 2545 H HB2 . ARG A-3 1 17 . 65.815 -28.061 10.347 1 26.91 ? HB2 ARG A-3 17 1 
ATOM 2546 H HB3 . ARG A-3 1 17 . 64.779 -28.598 9.275 1 26.91 ? HB3 ARG A-3 17 1 
ATOM 2547 H HG2 . ARG A-3 1 17 . 65.662 -30.78 9.622 1 38.25 ? HG2 ARG A-3 17 1 
ATOM 2548 H HG3 . ARG A-3 1 17 . 66.51 -30.181 10.831 1 38.25 ? HG3 ARG A-3 17 1 
ATOM 2549 H HD2 . ARG A-3 1 17 . 64.625 -31.082 11.763 1 48.97 ? HD2 ARG A-3 17 1 
ATOM 2550 H HD3 . ARG A-3 1 17 . 64.429 -29.505 11.82 1 48.97 ? HD3 ARG A-3 17 1 
ATOM 2551 H HE . ARG A-3 1 17 . 63.168 -31.064 9.951 1 60.14 ? HE ARG A-3 17 1 
ATOM 2552 H HH11 . ARG A-3 1 17 . 62.916 -28.394 11.939 1 63.94 ? HH11 ARG A-3 17 1 
ATOM 2553 H HH12 . ARG A-3 1 17 . 61.533 -28.027 11.524 1 63.94 ? HH12 ARG A-3 17 1 
ATOM 2554 H HH21 . ARG A-3 1 17 . 61.078 -30.464 9.339 1 69.91 ? HH21 ARG A-3 17 1 
ATOM 2555 H HH22 . ARG A-3 1 17 . 60.425 -29.276 9.957 1 69.91 ? HH22 ARG A-3 17 1 
ATOM 2556 N N . GLU A-3 1 18 . 65.565 -29.482 6.633 1 17.94 ? N GLU A-3 18 1 
ATOM 2557 C CA . GLU A-3 1 18 . 65.318 -30.513 5.617 1 21.59 ? CA GLU A-3 18 1 
ATOM 2558 C C . GLU A-3 1 18 . 66.139 -30.364 4.33 1 30.17 ? C GLU A-3 18 1 
ATOM 2559 O O . GLU A-3 1 18 . 66.103 -31.227 3.423 1 21.22 ? O GLU A-3 18 1 
ATOM 2560 C CB . GLU A-3 1 18 . 63.804 -30.609 5.318 1 26.66 ? CB GLU A-3 18 1 
ATOM 2561 C CG . GLU A-3 1 18 . 62.942 -30.859 6.601 1 31.03 ? CG GLU A-3 18 1 
ATOM 2562 C CD . GLU A-3 1 18 . 61.824 -31.867 6.443 1 34.78 ? CD GLU A-3 18 1 
ATOM 2563 O OE1 . GLU A-3 1 18 . 61.211 -32.195 7.475 0.28 34.49 ? OE1 GLU A-3 18 1 
ATOM 2564 O OE2 . GLU A-3 1 18 . 61.548 -32.312 5.313 0.52 37.51 ? OE2 GLU A-3 18 1 
ATOM 2565 H H . GLU A-3 1 18 . 65.008 -28.827 6.617 1 21.53 ? H GLU A-3 18 1 
ATOM 2566 H HA . GLU A-3 1 18 . 65.575 -31.365 6.004 1 25.9 ? HA GLU A-3 18 1 
ATOM 2567 H HB2 . GLU A-3 1 18 . 63.51 -29.777 4.916 1 32 ? HB2 GLU A-3 18 1 
ATOM 2568 H HB3 . GLU A-3 1 18 . 63.65 -31.346 4.706 1 32 ? HB3 GLU A-3 18 1 
ATOM 2569 H HG2 . GLU A-3 1 18 . 63.525 -31.179 7.306 1 37.23 ? HG2 GLU A-3 18 1 
ATOM 2570 H HG3 . GLU A-3 1 18 . 62.54 -30.017 6.869 1 37.23 ? HG3 GLU A-3 18 1 
ATOM 2571 N N . ARG A-3 1 19 . 66.892 -29.261 4.285 1 53.47 ? N ARG A-3 19 1 
ATOM 2572 C CA . ARG A-3 1 19 . 67.803 -28.975 3.183 1 57.88 ? CA ARG A-3 19 1 
ATOM 2573 C C . ARG A-3 1 19 . 67.062 -28.938 1.859 1 20.77 ? C ARG A-3 19 1 
ATOM 2574 O O . ARG A-3 1 19 . 67.589 -29.274 0.805 1 17.23 ? O ARG A-3 19 1 
ATOM 2575 C CB . ARG A-3 1 19 . 68.938 -29.985 3.159 1 42.32 ? CB ARG A-3 19 1 
ATOM 2576 C CG . ARG A-3 1 19 . 69.74 -29.975 4.453 1 28.97 ? CG ARG A-3 19 1 
ATOM 2577 C CD . ARG A-3 1 19 . 70.798 -31.038 4.447 1 28.43 ? CD ARG A-3 19 1 
ATOM 2578 N NE . ARG A-3 1 19 . 71.517 -31.062 5.72 1 31.43 ? NE ARG A-3 19 1 
ATOM 2579 C CZ . ARG A-3 1 19 . 72.833 -30.888 5.839 1 36.91 ? CZ ARG A-3 19 1 
ATOM 2580 N NH1 . ARG A-3 1 19 . 73.578 -30.656 4.766 1 38.29 ? NH1 ARG A-3 19 1 
ATOM 2581 N NH2 . ARG A-3 1 19 . 73.392 -30.946 7.034 1 38.48 ? NH2 ARG A-3 19 1 
ATOM 2582 H H . ARG A-3 1 19 . 66.89 -28.655 4.895 1 64.16 ? H ARG A-3 19 1 
ATOM 2583 H HA . ARG A-3 1 19 . 68.193 -28.099 3.325 1 69.45 ? HA ARG A-3 19 1 
ATOM 2584 H HB2 . ARG A-3 1 19 . 68.571 -30.875 3.038 1 50.78 ? HB2 ARG A-3 19 1 
ATOM 2585 H HB3 . ARG A-3 1 19 . 69.54 -29.771 2.429 1 50.78 ? HB3 ARG A-3 19 1 
ATOM 2586 H HG2 . ARG A-3 1 19 . 70.175 -29.114 4.554 1 34.77 ? HG2 ARG A-3 19 1 
ATOM 2587 H HG3 . ARG A-3 1 19 . 69.145 -30.142 5.2 1 34.77 ? HG3 ARG A-3 19 1 
ATOM 2588 H HD2 . ARG A-3 1 19 . 70.384 -31.905 4.313 1 34.11 ? HD2 ARG A-3 19 1 
ATOM 2589 H HD3 . ARG A-3 1 19 . 71.435 -30.855 3.739 1 34.11 ? HD3 ARG A-3 19 1 
ATOM 2590 H HE . ARG A-3 1 19 . 71.068 -31.237 6.432 1 37.71 ? HE ARG A-3 19 1 
ATOM 2591 H HH11 . ARG A-3 1 19 . 73.214 -30.624 3.988 1 45.94 ? HH11 ARG A-3 19 1 
ATOM 2592 H HH12 . ARG A-3 1 19 . 74.427 -30.542 4.848 1 45.94 ? HH12 ARG A-3 19 1 
ATOM 2593 H HH21 . ARG A-3 1 19 . 72.906 -31.091 7.728 1 46.18 ? HH21 ARG A-3 19 1 
ATOM 2594 H HH22 . ARG A-3 1 19 . 74.239 -30.826 7.119 1 46.18 ? HH22 ARG A-3 19 1 
ATOM 2595 N N . VAL A-3 1 20 . 65.847 -28.367 1.918 1 16.45 ? N VAL A-3 20 1 
ATOM 2596 C CA . VAL A-3 1 20 . 64.995 -28.347 0.757 1 16.99 ? CA VAL A-3 20 1 
ATOM 2597 C C . VAL A-3 1 20 . 65.467 -27.263 -0.224 1 15.76 ? C VAL A-3 20 1 
ATOM 2598 O O . VAL A-3 1 20 . 65.608 -26.11 0.174 1 17.74 ? O VAL A-3 20 1 
ATOM 2599 C CB . VAL A-3 1 20 . 63.538 -28.069 1.196 1 20.14 ? CB VAL A-3 20 1 
ATOM 2600 C CG1 . VAL A-3 1 20 . 62.611 -27.957 0.02 1 20.23 ? CG1 VAL A-3 20 1 
ATOM 2601 C CG2 . VAL A-3 1 20 . 63.103 -29.134 2.151 1 24.49 ? CG2 VAL A-3 20 1 
ATOM 2602 H H . VAL A-3 1 20 . 65.512 -27.993 2.616 1 19.73 ? H VAL A-3 20 1 
ATOM 2603 H HA . VAL A-3 1 20 . 65.028 -29.207 0.31 1 20.39 ? HA VAL A-3 20 1 
ATOM 2604 H HB . VAL A-3 1 20 . 63.513 -27.224 1.67 1 24.16 ? HB VAL A-3 20 1 
ATOM 2605 H HG11 . VAL A-3 1 20 . 61.712 -27.783 0.342 1 24.27 ? HG11 VAL A-3 20 1 
ATOM 2606 H HG12 . VAL A-3 1 20 . 62.907 -27.226 -0.545 1 24.27 ? HG12 VAL A-3 20 1 
ATOM 2607 H HG13 . VAL A-3 1 20 . 62.629 -28.789 -0.477 1 24.27 ? HG13 VAL A-3 20 1 
ATOM 2608 H HG21 . VAL A-3 1 20 . 62.189 -28.958 2.425 1 29.39 ? HG21 VAL A-3 20 1 
ATOM 2609 H HG22 . VAL A-3 1 20 . 63.156 -29.996 1.708 1 29.39 ? HG22 VAL A-3 20 1 
ATOM 2610 H HG23 . VAL A-3 1 20 . 63.689 -29.122 2.924 1 29.39 ? HG23 VAL A-3 20 1 
ATOM 2611 N N . PRO A-3 1 21 . 65.667 -27.576 -1.494 1 15.57 ? N PRO A-3 21 1 
ATOM 2612 C CA . PRO A-3 1 21 . 65.963 -26.504 -2.465 1 15.95 ? CA PRO A-3 21 1 
ATOM 2613 C C . PRO A-3 1 21 . 64.832 -25.499 -2.486 1 14.66 ? C PRO A-3 21 1 
ATOM 2614 O O . PRO A-3 1 21 . 63.647 -25.912 -2.457 1 15.54 ? O PRO A-3 21 1 
ATOM 2615 C CB . PRO A-3 1 21 . 66.115 -27.237 -3.797 1 18.43 ? CB PRO A-3 21 1 
ATOM 2616 C CG . PRO A-3 1 21 . 66.555 -28.636 -3.38 1 20.03 ? CG PRO A-3 21 1 
ATOM 2617 C CD . PRO A-3 1 21 . 65.731 -28.905 -2.109 1 17.26 ? CD PRO A-3 21 1 
ATOM 2618 H HA . PRO A-3 1 21 . 66.794 -26.058 -2.24 1 19.14 ? HA PRO A-3 21 1 
ATOM 2619 H HB2 . PRO A-3 1 21 . 65.264 -27.263 -4.26 1 22.11 ? HB2 PRO A-3 21 1 
ATOM 2620 H HB3 . PRO A-3 1 21 . 66.795 -26.805 -4.337 1 22.11 ? HB3 PRO A-3 21 1 
ATOM 2621 H HG2 . PRO A-3 1 21 . 66.338 -29.274 -4.078 1 24.03 ? HG2 PRO A-3 21 1 
ATOM 2622 H HG3 . PRO A-3 1 21 . 67.505 -28.641 -3.186 1 24.03 ? HG3 PRO A-3 21 1 
ATOM 2623 H HD2 . PRO A-3 1 21 . 64.842 -29.218 -2.338 1 20.71 ? HD2 PRO A-3 21 1 
ATOM 2624 H HD3 . PRO A-3 1 21 . 66.193 -29.528 -1.527 1 20.71 ? HD3 PRO A-3 21 1 
ATOM 2625 N N . VAL A-3 1 22 . 65.15 -24.216 -2.504 1 13.99 ? N VAL A-3 22 1 
ATOM 2626 C CA . VAL A-3 1 22 . 64.146 -23.183 -2.537 1 13.76 ? CA VAL A-3 22 1 
ATOM 2627 C C . VAL A-3 1 22 . 64.471 -22.199 -3.624 1 13.13 ? C VAL A-3 22 1 
ATOM 2628 O O . VAL A-3 1 22 . 65.617 -22.072 -4.088 1 14.6 ? O VAL A-3 22 1 
ATOM 2629 C CB . VAL A-3 1 22 . 64.067 -22.378 -1.209 1 15.29 ? CB VAL A-3 22 1 
ATOM 2630 C CG1 . VAL A-3 1 22 . 63.708 -23.266 -0.034 1 17.78 ? CG1 VAL A-3 22 1 
ATOM 2631 C CG2 . VAL A-3 1 22 . 65.361 -21.606 -0.899 1 17.03 ? CG2 VAL A-3 22 1 
ATOM 2632 H H . VAL A-3 1 22 . 65.956 -23.918 -2.497 1 16.79 ? H VAL A-3 22 1 
ATOM 2633 H HA . VAL A-3 1 22 . 63.277 -23.574 -2.718 1 16.51 ? HA VAL A-3 22 1 
ATOM 2634 H HB . VAL A-3 1 22 . 63.359 -21.721 -1.297 1 18.35 ? HB VAL A-3 22 1 
ATOM 2635 H HG11 . VAL A-3 1 22 . 63.596 -24.177 -0.35 1 21.33 ? HG11 VAL A-3 22 1 
ATOM 2636 H HG12 . VAL A-3 1 22 . 64.423 -23.228 0.62 1 21.33 ? HG12 VAL A-3 22 1 
ATOM 2637 H HG13 . VAL A-3 1 22 . 62.881 -22.949 0.36 1 21.33 ? HG13 VAL A-3 22 1 
ATOM 2638 H HG21 . VAL A-3 1 22 . 66.004 -21.768 -1.607 1 20.44 ? HG21 VAL A-3 22 1 
ATOM 2639 H HG22 . VAL A-3 1 22 . 65.159 -20.659 -0.846 1 20.44 ? HG22 VAL A-3 22 1 
ATOM 2640 H HG23 . VAL A-3 1 22 . 65.717 -21.916 -0.051 1 20.44 ? HG23 VAL A-3 22 1 
ATOM 2641 N N . SER A-3 1 23 . 63.423 -21.479 -4.005 1 13.27 ? N SER A-3 23 1 
ATOM 2642 C CA . SER A-3 1 23 . 63.547 -20.295 -4.839 1 13.78 ? CA SER A-3 23 1 
ATOM 2643 C C . SER A-3 1 23 . 63.22 -19.091 -3.956 1 12.9 ? C SER A-3 23 1 
ATOM 2644 O O . SER A-3 1 23 . 62.206 -19.08 -3.271 1 14.64 ? O SER A-3 23 1 
ATOM 2645 C CB . SER A-3 1 23 . 62.604 -20.364 -6.025 1 15.99 ? CB SER A-3 23 1 
ATOM 2646 O OG . SER A-3 1 23 . 62.939 -21.46 -6.852 1 18.21 ? OG SER A-3 23 1 
ATOM 2647 H H . SER A-3 1 23 . 62.612 -21.663 -3.788 1 15.93 ? H SER A-3 23 1 
ATOM 2648 H HA . SER A-3 1 23 . 64.457 -20.211 -5.164 1 16.53 ? HA SER A-3 23 1 
ATOM 2649 H HB2 . SER A-3 1 23 . 61.696 -20.475 -5.702 1 19.18 ? HB2 SER A-3 23 1 
ATOM 2650 H HB3 . SER A-3 1 23 . 62.678 -19.544 -6.538 1 19.18 ? HB3 SER A-3 23 1 
ATOM 2651 H HG . SER A-3 1 23 . 62.415 -21.495 -7.507 1 21.85 ? HG SER A-3 23 1 
ATOM 2652 N N . ILE A-3 1 24 . 64.082 -18.099 -3.989 1 12.81 ? N ILE A-3 24 1 
ATOM 2653 C CA . ILE A-3 1 24 . 63.863 -16.826 -3.286 1 12.89 ? CA ILE A-3 24 1 
ATOM 2654 C C . ILE A-3 1 24 . 63.693 -15.775 -4.359 1 12.51 ? C ILE A-3 24 1 
ATOM 2655 O O . ILE A-3 1 24 . 64.621 -15.479 -5.111 1 14.21 ? O ILE A-3 24 1 
ATOM 2656 C CB . ILE A-3 1 24 . 65.005 -16.513 -2.335 1 12.76 ? CB ILE A-3 24 1 
ATOM 2657 C CG1 . ILE A-3 1 24 . 65.133 -17.589 -1.261 1 15.24 ? CG1 ILE A-3 24 1 
ATOM 2658 C CG2 . ILE A-3 1 24 . 64.793 -15.137 -1.71 1 14.36 ? CG2 ILE A-3 24 1 
ATOM 2659 C CD1 . ILE A-3 1 24 . 66.124 -17.299 -0.159 1 16.6 ? CD1 ILE A-3 24 1 
ATOM 2660 H H . ILE A-3 1 24 . 64.825 -18.127 -4.421 1 15.37 ? H ILE A-3 24 1 
ATOM 2661 H HA . ILE A-3 1 24 . 63.042 -16.877 -2.772 1 15.47 ? HA ILE A-3 24 1 
ATOM 2662 H HB . ILE A-3 1 24 . 65.83 -16.493 -2.846 1 15.31 ? HB ILE A-3 24 1 
ATOM 2663 H HG12 . ILE A-3 1 24 . 64.265 -17.712 -0.846 1 18.28 ? HG12 ILE A-3 24 1 
ATOM 2664 H HG13 . ILE A-3 1 24 . 65.407 -18.417 -1.687 1 18.28 ? HG13 ILE A-3 24 1 
ATOM 2665 H HG21 . ILE A-3 1 24 . 63.954 -15.139 -1.221 1 17.23 ? HG21 ILE A-3 24 1 
ATOM 2666 H HG22 . ILE A-3 1 24 . 65.528 -14.95 -1.105 1 17.23 ? HG22 ILE A-3 24 1 
ATOM 2667 H HG23 . ILE A-3 1 24 . 64.765 -14.471 -2.414 1 17.23 ? HG23 ILE A-3 24 1 
ATOM 2668 H HD11 . ILE A-3 1 24 . 65.86 -16.483 0.295 1 19.92 ? HD11 ILE A-3 24 1 
ATOM 2669 H HD12 . ILE A-3 1 24 . 66.127 -18.04 0.466 1 19.92 ? HD12 ILE A-3 24 1 
ATOM 2670 H HD13 . ILE A-3 1 24 . 67.006 -17.19 -0.549 1 19.92 ? HD13 ILE A-3 24 1 
ATOM 2671 N N . TYR A-3 1 25 . 62.492 -15.213 -4.432 1 12.6 ? N TYR A-3 25 1 
ATOM 2672 C CA . TYR A-3 1 25 . 62.189 -14.172 -5.394 1 12.9 ? CA TYR A-3 25 1 
ATOM 2673 C C . TYR A-3 1 25 . 62.386 -12.832 -4.744 1 12.27 ? C TYR A-3 25 1 
ATOM 2674 O O . TYR A-3 1 25 . 61.868 -12.593 -3.661 1 16.16 ? O TYR A-3 25 1 
ATOM 2675 C CB . TYR A-3 1 25 . 60.759 -14.318 -5.881 1 14.57 ? CB TYR A-3 25 1 
ATOM 2676 C CG . TYR A-3 1 25 . 60.551 -15.597 -6.644 1 16.38 ? CG TYR A-3 25 1 
ATOM 2677 C CD1 . TYR A-3 1 25 . 60.523 -15.571 -8.029 1 22.07 ? CD1 TYR A-3 25 1 
ATOM 2678 C CD2 . TYR A-3 1 25 . 60.243 -16.783 -6.026 1 15.8 ? CD2 TYR A-3 25 1 
ATOM 2679 C CE1 . TYR A-3 1 25 . 60.313 -16.73 -8.772 1 22.61 ? CE1 TYR A-3 25 1 
ATOM 2680 C CE2 . TYR A-3 1 25 . 60.07 -17.982 -6.759 1 18.33 ? CE2 TYR A-3 25 1 
ATOM 2681 C CZ . TYR A-3 1 25 . 60.129 -17.937 -8.112 1 20.73 ? CZ TYR A-3 25 1 
ATOM 2682 O OH . TYR A-3 1 25 . 59.94 -19.08 -8.869 1 24.78 ? OH TYR A-3 25 1 
ATOM 2683 H H . TYR A-3 1 25 . 61.829 -15.423 -3.926 1 15.12 ? H TYR A-3 25 1 
ATOM 2684 H HA . TYR A-3 1 25 . 62.786 -14.242 -6.154 1 15.49 ? HA TYR A-3 25 1 
ATOM 2685 H HB2 . TYR A-3 1 25 . 60.161 -14.32 -5.118 1 17.49 ? HB2 TYR A-3 25 1 
ATOM 2686 H HB3 . TYR A-3 1 25 . 60.547 -13.577 -6.47 1 17.49 ? HB3 TYR A-3 25 1 
ATOM 2687 H HD1 . TYR A-3 1 25 . 60.701 -14.774 -8.472 1 26.48 ? HD1 TYR A-3 25 1 
ATOM 2688 H HD2 . TYR A-3 1 25 . 60.261 -16.823 -5.097 1 18.97 ? HD2 TYR A-3 25 1 
ATOM 2689 H HE1 . TYR A-3 1 25 . 60.36 -16.705 -9.701 1 27.13 ? HE1 TYR A-3 25 1 
ATOM 2690 H HE2 . TYR A-3 1 25 . 59.916 -18.787 -6.319 1 21.99 ? HE2 TYR A-3 25 1 
ATOM 2691 H HH . TYR A-3 1 25 . 59.961 -18.889 -9.687 1 29.74 ? HH TYR A-3 25 1 
ATOM 2692 N N . LEU A-3 1 26 . 63.15 -11.971 -5.357 1 12.73 ? N LEU A-3 26 1 
ATOM 2693 C CA . LEU A-3 1 26 . 63.423 -10.641 -4.852 1 12.91 ? CA LEU A-3 26 1 
ATOM 2694 C C . LEU A-3 1 26 . 62.435 -9.646 -5.375 1 12.93 ? C LEU A-3 26 1 
ATOM 2695 O O . LEU A-3 1 26 . 61.803 -9.819 -6.435 1 14.71 ? O LEU A-3 26 1 
ATOM 2696 C CB . LEU A-3 1 26 . 64.84 -10.222 -5.205 1 13.45 ? CB LEU A-3 26 1 
ATOM 2697 C CG . LEU A-3 1 26 . 65.948 -11.16 -4.815 1 14.26 ? CG LEU A-3 26 1 
ATOM 2698 C CD1 . LEU A-3 1 26 . 67.3 -10.568 -5.122 1 17.71 ? CD1 LEU A-3 26 1 
ATOM 2699 C CD2 . LEU A-3 1 26 . 65.828 -11.533 -3.286 1 16.44 ? CD2 LEU A-3 26 1 
ATOM 2700 H H . LEU A-3 1 26 . 63.542 -12.135 -6.104 1 15.27 ? H LEU A-3 26 1 
ATOM 2701 H HA . LEU A-3 1 26 . 63.35 -10.652 -3.885 1 15.49 ? HA LEU A-3 26 1 
ATOM 2702 H HB2 . LEU A-3 1 26 . 64.889 -10.107 -6.167 1 16.13 ? HB2 LEU A-3 26 1 
ATOM 2703 H HB3 . LEU A-3 1 26 . 65.019 -9.373 -4.773 1 16.13 ? HB3 LEU A-3 26 1 
ATOM 2704 H HG . LEU A-3 1 26 . 65.86 -11.979 -5.328 1 17.11 ? HG LEU A-3 26 1 
ATOM 2705 H HD11 . LEU A-3 1 26 . 67.402 -9.741 -4.627 1 21.26 ? HD11 LEU A-3 26 1 
ATOM 2706 H HD12 . LEU A-3 1 26 . 67.988 -11.198 -4.858 1 21.26 ? HD12 LEU A-3 26 1 
ATOM 2707 H HD13 . LEU A-3 1 26 . 67.359 -10.393 -6.075 1 21.26 ? HD13 LEU A-3 26 1 
ATOM 2708 H HD21 . LEU A-3 1 26 . 65.891 -10.723 -2.758 1 19.73 ? HD21 LEU A-3 26 1 
ATOM 2709 H HD22 . LEU A-3 1 26 . 64.972 -11.964 -3.132 1 19.73 ? HD22 LEU A-3 26 1 
ATOM 2710 H HD23 . LEU A-3 1 26 . 66.55 -12.138 -3.052 1 19.73 ? HD23 LEU A-3 26 1 
ATOM 2711 N N . VAL A-3 1 27 . 62.282 -8.563 -4.645 1 13.67 ? N VAL A-3 27 1 
ATOM 2712 C CA . VAL A-3 1 27 . 61.332 -7.521 -5.023 1 14.61 ? CA VAL A-3 27 1 
ATOM 2713 C C . VAL A-3 1 27 . 61.679 -6.93 -6.412 1 15.34 ? C VAL A-3 27 1 
ATOM 2714 O O . VAL A-3 1 27 . 60.826 -6.552 -7.16 1 20.22 ? O VAL A-3 27 1 
ATOM 2715 C CB . VAL A-3 1 27 . 61.23 -6.443 -3.943 1 15.92 ? CB VAL A-3 27 1 
ATOM 2716 C CG1 . VAL A-3 1 27 . 60.635 -7.028 -2.67 1 17.55 ? CG1 VAL A-3 27 1 
ATOM 2717 C CG2 . VAL A-3 1 27 . 62.564 -5.749 -3.654 1 20.58 ? CG2 VAL A-3 27 1 
ATOM 2718 H H . VAL A-3 1 27 . 62.715 -8.4 -3.92 1 16.41 ? H VAL A-3 27 1 
ATOM 2719 H HA . VAL A-3 1 27 . 60.455 -7.928 -5.1 1 17.53 ? HA VAL A-3 27 1 
ATOM 2720 H HB . VAL A-3 1 27 . 60.618 -5.761 -4.257 1 19.11 ? HB VAL A-3 27 1 
ATOM 2721 H HG11 . VAL A-3 1 27 . 60.579 -6.331 -1.998 1 21.06 ? HG11 VAL A-3 27 1 
ATOM 2722 H HG12 . VAL A-3 1 27 . 59.75 -7.372 -2.865 1 21.06 ? HG12 VAL A-3 27 1 
ATOM 2723 H HG13 . VAL A-3 1 27 . 61.207 -7.746 -2.355 1 21.06 ? HG13 VAL A-3 27 1 
ATOM 2724 H HG21 . VAL A-3 1 27 . 62.429 -5.083 -2.963 1 24.7 ? HG21 VAL A-3 27 1 
ATOM 2725 H HG22 . VAL A-3 1 27 . 63.205 -6.413 -3.353 1 24.7 ? HG22 VAL A-3 27 1 
ATOM 2726 H HG23 . VAL A-3 1 27 . 62.882 -5.327 -4.467 1 24.7 ? HG23 VAL A-3 27 1 
ATOM 2727 N N . ASN A-3 1 28 . 62.915 -6.963 -6.799 1 14.21 ? N ASN A-3 28 1 
ATOM 2728 C CA . ASN A-3 1 28 . 63.328 -6.427 -8.115 1 15.41 ? CA ASN A-3 28 1 
ATOM 2729 C C . ASN A-3 1 28 . 63.21 -7.425 -9.263 1 16.03 ? C ASN A-3 28 1 
ATOM 2730 O O . ASN A-3 1 28 . 63.583 -7.075 -10.38 1 17.78 ? O ASN A-3 28 1 
ATOM 2731 C CB . ASN A-3 1 28 . 64.714 -5.898 -8.047 1 16.33 ? CB ASN A-3 28 1 
ATOM 2732 C CG . ASN A-3 1 28 . 65.763 -6.979 -7.78 1 16.79 ? CG ASN A-3 28 1 
ATOM 2733 O OD1 . ASN A-3 1 28 . 65.496 -8.186 -7.871 1 16.82 ? OD1 ASN A-3 28 1 
ATOM 2734 N ND2 . ASN A-3 1 28 . 66.991 -6.542 -7.442 1 18.73 ? ND2 ASN A-3 28 1 
ATOM 2735 H H . ASN A-3 1 28 . 63.561 -7.288 -6.334 1 17.05 ? H ASN A-3 28 1 
ATOM 2736 H HA . ASN A-3 1 28 . 62.748 -5.68 -8.328 1 18.49 ? HA ASN A-3 28 1 
ATOM 2737 H HB2 . ASN A-3 1 28 . 64.93 -5.475 -8.892 1 19.6 ? HB2 ASN A-3 28 1 
ATOM 2738 H HB3 . ASN A-3 1 28 . 64.766 -5.247 -7.329 1 19.6 ? HB3 ASN A-3 28 1 
ATOM 2739 H HD21 . ASN A-3 1 28 . 67.62 -7.107 -7.281 1 22.47 ? HD21 ASN A-3 28 1 
ATOM 2740 H HD22 . ASN A-3 1 28 . 67.148 -5.698 -7.387 1 22.47 ? HD22 ASN A-3 28 1 
ATOM 2741 N N . GLY A-3 1 29 . 62.636 -8.584 -8.993 1 16.16 ? N GLY A-3 29 1 
ATOM 2742 C CA . GLY A-3 1 29 . 62.319 -9.536 -10.019 1 18.2 ? CA GLY A-3 29 1 
ATOM 2743 C C . GLY A-3 1 29 . 63.324 -10.627 -10.205 1 18.41 ? C GLY A-3 29 1 
ATOM 2744 O O . GLY A-3 1 29 . 63.043 -11.546 -10.933 1 22.58 ? O GLY A-3 29 1 
ATOM 2745 H H . GLY A-3 1 29 . 62.42 -8.841 -8.202 1 19.39 ? H GLY A-3 29 1 
ATOM 2746 H HA2 . GLY A-3 1 29 . 61.467 -9.95 -9.81 1 21.84 ? HA2 GLY A-3 29 1 
ATOM 2747 H HA3 . GLY A-3 1 29 . 62.226 -9.069 -10.863 1 21.84 ? HA3 GLY A-3 29 1 
ATOM 2748 N N . ILE A-3 1 30 . 64.472 -10.551 -9.545 1 16.66 ? N ILE A-3 30 1 
ATOM 2749 C CA . ILE A-3 1 30 . 65.447 -11.614 -9.634 1 16.63 ? CA ILE A-3 30 1 
ATOM 2750 C C . ILE A-3 1 30 . 65.003 -12.806 -8.863 1 15.78 ? C ILE A-3 30 1 
ATOM 2751 O O . ILE A-3 1 30 . 64.464 -12.694 -7.776 1 17.66 ? O ILE A-3 30 1 
ATOM 2752 C CB . ILE A-3 1 30 . 66.766 -11.107 -9.125 1 17.79 ? CB ILE A-3 30 1 
ATOM 2753 C CG1 . ILE A-3 1 30 . 67.285 -9.999 -10.066 1 21.3 ? CG1 ILE A-3 30 1 
ATOM 2754 C CG2 . ILE A-3 1 30 . 67.778 -12.22 -8.916 1 21.12 ? CG2 ILE A-3 30 1 
ATOM 2755 C CD1 . ILE A-3 1 30 . 68.57 -9.329 -9.633 1 24.57 ? CD1 ILE A-3 30 1 
ATOM 2756 H H . ILE A-3 1 30 . 64.706 -9.894 -9.041 1 19.99 ? H ILE A-3 30 1 
ATOM 2757 H HA . ILE A-3 1 30 . 65.556 -11.875 -10.562 1 19.96 ? HA ILE A-3 30 1 
ATOM 2758 H HB . ILE A-3 1 30 . 66.604 -10.7 -8.26 1 21.34 ? HB ILE A-3 30 1 
ATOM 2759 H HG12 . ILE A-3 1 30 . 67.438 -10.387 -10.942 1 25.56 ? HG12 ILE A-3 30 1 
ATOM 2760 H HG13 . ILE A-3 1 30 . 66.605 -9.31 -10.132 1 25.56 ? HG13 ILE A-3 30 1 
ATOM 2761 H HG21 . ILE A-3 1 30 . 67.933 -12.669 -9.762 1 25.34 ? HG21 ILE A-3 30 1 
ATOM 2762 H HG22 . ILE A-3 1 30 . 68.606 -11.836 -8.588 1 25.34 ? HG22 ILE A-3 30 1 
ATOM 2763 H HG23 . ILE A-3 1 30 . 67.426 -12.849 -8.267 1 25.34 ? HG23 ILE A-3 30 1 
ATOM 2764 H HD11 . ILE A-3 1 30 . 68.434 -8.918 -8.765 1 29.49 ? HD11 ILE A-3 30 1 
ATOM 2765 H HD12 . ILE A-3 1 30 . 69.27 -9.998 -9.577 1 29.49 ? HD12 ILE A-3 30 1 
ATOM 2766 H HD13 . ILE A-3 1 30 . 68.809 -8.653 -10.286 1 29.49 ? HD13 ILE A-3 30 1 
ATOM 2767 N N . LYS A-3 1 31 . 65.309 -13.97 -9.384 1 16.58 ? N LYS A-3 31 1 
ATOM 2768 C CA . LYS A-3 1 31 . 65.109 -15.253 -8.751 1 16.83 ? CA LYS A-3 31 1 
ATOM 2769 C C . LYS A-3 1 31 . 66.413 -15.857 -8.307 1 15.34 ? C LYS A-3 31 1 
ATOM 2770 O O . LYS A-3 1 31 . 67.262 -16.101 -9.165 1 19.53 ? O LYS A-3 31 1 
ATOM 2771 C CB . LYS A-3 1 31 . 64.207 -16.212 -9.59 1 21.62 ? CB LYS A-3 31 1 
ATOM 2772 C CG . LYS A-3 1 31 . 64.127 -17.615 -9.027 1 26.44 ? CG LYS A-3 31 1 
ATOM 2773 C CD . LYS A-3 1 31 . 63.381 -18.536 -9.988 1 31.53 ? CD LYS A-3 31 1 
ATOM 2774 C CE . LYS A-3 1 31 . 63.985 -19.895 -9.981 1 35.78 ? CE LYS A-3 31 1 
ATOM 2775 N NZ . LYS A-3 1 31 . 63.294 -20.813 -10.904 1 37.39 ? NZ LYS A-3 31 1 
ATOM 2776 H H . LYS A-3 1 31 . 65.66 -14.046 -10.165 1 19.89 ? H LYS A-3 31 1 
ATOM 2777 H HA . LYS A-3 1 31 . 65.599 -15.462 -9.562 1 20.2 ? HA LYS A-3 31 1 
ATOM 2778 H HB2 . LYS A-3 1 31 . 63.307 -15.851 -9.617 1 25.95 ? HB2 LYS A-3 31 1 
ATOM 2779 H HB3 . LYS A-3 1 31 . 64.565 -16.272 -10.489 1 25.95 ? HB3 LYS A-3 31 1 
ATOM 2780 H HG2 . LYS A-3 1 31 . 65.023 -17.965 -8.9 1 31.73 ? HG2 LYS A-3 31 1 
ATOM 2781 H HG3 . LYS A-3 1 31 . 63.646 -17.599 -8.184 1 31.73 ? HG3 LYS A-3 31 1 
ATOM 2782 H HD2 . LYS A-3 1 31 . 62.454 -18.609 -9.712 1 37.84 ? HD2 LYS A-3 31 1 
ATOM 2783 H HD3 . LYS A-3 1 31 . 63.439 -18.179 -10.888 1 37.84 ? HD3 LYS A-3 31 1 
ATOM 2784 H HE2 . LYS A-3 1 31 . 64.913 -19.833 -10.256 1 42.93 ? HE2 LYS A-3 31 1 
ATOM 2785 H HE3 . LYS A-3 1 31 . 63.925 -20.266 -9.086 1 42.93 ? HE3 LYS A-3 31 1 
ATOM 2786 H HZ1 . LYS A-3 1 31 . 63.677 -21.616 -10.878 1 44.87 ? HZ1 LYS A-3 31 1 
ATOM 2787 H HZ2 . LYS A-3 1 31 . 62.439 -20.892 -10.671 1 44.87 ? HZ2 LYS A-3 31 1 
ATOM 2788 H HZ3 . LYS A-3 1 31 . 63.338 -20.498 -11.736 1 44.87 ? HZ3 LYS A-3 31 1 
ATOM 2789 N N . LEU A-3 1 32 . 66.577 -16.119 -7.022 1 13.93 ? N LEU A-3 32 1 
ATOM 2790 C CA . LEU A-3 1 32 . 67.707 -16.848 -6.475 1 14.17 ? CA LEU A-3 32 1 
ATOM 2791 C C . LEU A-3 1 32 . 67.283 -18.294 -6.202 1 14.52 ? C LEU A-3 32 1 
ATOM 2792 O O . LEU A-3 1 32 . 66.119 -18.539 -5.896 1 16.03 ? O LEU A-3 32 1 
ATOM 2793 C CB . LEU A-3 1 32 . 68.195 -16.214 -5.174 1 14.68 ? CB LEU A-3 32 1 
ATOM 2794 C CG . LEU A-3 1 32 . 68.46 -14.719 -5.178 1 15.54 ? CG LEU A-3 32 1 
ATOM 2795 C CD1 . LEU A-3 1 32 . 68.835 -14.234 -3.801 1 16.74 ? CD1 LEU A-3 32 1 
ATOM 2796 C CD2 . LEU A-3 1 32 . 69.543 -14.385 -6.162 1 18.43 ? CD2 LEU A-3 32 1 
ATOM 2797 H H . LEU A-3 1 32 . 66.016 -15.873 -6.418 1 16.72 ? H LEU A-3 32 1 
ATOM 2798 H HA . LEU A-3 1 32 . 68.436 -16.851 -7.114 1 17 ? HA LEU A-3 32 1 
ATOM 2799 H HB2 . LEU A-3 1 32 . 67.528 -16.382 -4.49 1 17.62 ? HB2 LEU A-3 32 1 
ATOM 2800 H HB3 . LEU A-3 1 32 . 69.025 -16.649 -4.922 1 17.62 ? HB3 LEU A-3 32 1 
ATOM 2801 H HG . LEU A-3 1 32 . 67.653 -14.255 -5.451 1 18.65 ? HG LEU A-3 32 1 
ATOM 2802 H HD11 . LEU A-3 1 32 . 68.998 -13.278 -3.838 1 20.09 ? HD11 LEU A-3 32 1 
ATOM 2803 H HD12 . LEU A-3 1 32 . 68.105 -14.422 -3.191 1 20.09 ? HD12 LEU A-3 32 1 
ATOM 2804 H HD13 . LEU A-3 1 32 . 69.637 -14.694 -3.512 1 20.09 ? HD13 LEU A-3 32 1 
ATOM 2805 H HD21 . LEU A-3 1 32 . 69.697 -13.427 -6.149 1 22.11 ? HD21 LEU A-3 32 1 
ATOM 2806 H HD22 . LEU A-3 1 32 . 70.354 -14.853 -5.91 1 22.11 ? HD22 LEU A-3 32 1 
ATOM 2807 H HD23 . LEU A-3 1 32 . 69.261 -14.663 -7.048 1 22.11 ? HD23 LEU A-3 32 1 
ATOM 2808 N N . GLN A-3 1 33 . 68.199 -19.246 -6.294 1 15.66 ? N GLN A-3 33 1 
ATOM 2809 C CA . GLN A-3 1 33 . 67.893 -20.637 -5.963 1 16.64 ? CA GLN A-3 33 1 
ATOM 2810 C C . GLN A-3 1 33 . 69.031 -21.248 -5.188 1 16.08 ? C GLN A-3 33 1 
ATOM 2811 O O . GLN A-3 1 33 . 70.206 -20.95 -5.449 1 19.17 ? O GLN A-3 33 1 
ATOM 2812 C CB . GLN A-3 1 33 . 67.679 -21.434 -7.241 1 20.75 ? CB GLN A-3 33 1 
ATOM 2813 C CG . GLN A-3 1 33 . 66.441 -21.066 -7.932 1 25.88 ? CG GLN A-3 33 1 
ATOM 2814 C CD . GLN A-3 1 33 . 66.227 -21.932 -9.133 1 33.78 ? CD GLN A-3 33 1 
ATOM 2815 O OE1 . GLN A-3 1 33 . 66.929 -21.795 -10.127 0.5 33.88 ? OE1 GLN A-3 33 1 
ATOM 2816 N NE2 . GLN A-3 1 33 . 65.271 -22.858 -9.045 1 38.98 ? NE2 GLN A-3 33 1 
ATOM 2817 H H . GLN A-3 1 33 . 69.01 -19.116 -6.548 1 18.79 ? H GLN A-3 33 1 
ATOM 2818 H HA . GLN A-3 1 33 . 67.087 -20.68 -5.426 1 19.96 ? HA GLN A-3 33 1 
ATOM 2819 H HB2 . GLN A-3 1 33 . 68.42 -21.27 -7.844 1 24.9 ? HB2 GLN A-3 33 1 
ATOM 2820 H HB3 . GLN A-3 1 33 . 67.632 -22.378 -7.021 1 24.9 ? HB3 GLN A-3 33 1 
ATOM 2821 H HG2 . GLN A-3 1 33 . 65.689 -21.185 -7.33 1 31.06 ? HG2 GLN A-3 33 1 
ATOM 2822 H HG3 . GLN A-3 1 33 . 66.497 -20.143 -8.225 1 31.06 ? HG3 GLN A-3 33 1 
ATOM 2823 H HE21 . GLN A-3 1 33 . 64.813 -22.936 -8.322 1 46.78 ? HE21 GLN A-3 33 1 
ATOM 2824 H HE22 . GLN A-3 1 33 . 65.114 -23.378 -9.712 1 46.78 ? HE22 GLN A-3 33 1 
ATOM 2825 N N . GLY A-3 1 34 . 68.674 -22.062 -4.221 1 14.64 ? N GLY A-3 34 1 
ATOM 2826 C CA . GLY A-3 1 34 . 69.674 -22.757 -3.45 1 16.49 ? CA GLY A-3 34 1 
ATOM 2827 C C . GLY A-3 1 34 . 69.066 -23.369 -2.207 1 14.51 ? C GLY A-3 34 1 
ATOM 2828 O O . GLY A-3 1 34 . 67.873 -23.59 -2.134 1 17.5 ? O GLY A-3 34 1 
ATOM 2829 H H . GLY A-3 1 34 . 67.863 -22.23 -3.991 1 17.57 ? H GLY A-3 34 1 
ATOM 2830 H HA2 . GLY A-3 1 34 . 70.069 -23.463 -3.985 1 19.78 ? HA2 GLY A-3 34 1 
ATOM 2831 H HA3 . GLY A-3 1 34 . 70.373 -22.138 -3.184 1 19.78 ? HA3 GLY A-3 34 1 
ATOM 2832 N N . GLN A-3 1 35 . 69.88 -23.667 -1.236 1 14.44 ? N GLN A-3 35 1 
ATOM 2833 C CA . GLN A-3 1 35 . 69.43 -24.211 0.042 1 14.41 ? CA GLN A-3 35 1 
ATOM 2834 C C . GLN A-3 1 35 . 69.708 -23.189 1.108 1 13.95 ? C GLN A-3 35 1 
ATOM 2835 O O . GLN A-3 1 35 . 70.731 -22.496 1.062 1 15.12 ? O GLN A-3 35 1 
ATOM 2836 C CB . GLN A-3 1 35 . 70.098 -25.527 0.362 1 15.96 ? CB GLN A-3 35 1 
ATOM 2837 C CG . GLN A-3 1 35 . 69.625 -26.643 -0.57 1 16.96 ? CG GLN A-3 35 1 
ATOM 2838 C CD . GLN A-3 1 35 . 70.642 -27.776 -0.595 1 19.36 ? CD GLN A-3 35 1 
ATOM 2839 O OE1 . GLN A-3 1 35 . 71.833 -27.574 -0.967 0.58 17.85 ? OE1 GLN A-3 35 1 
ATOM 2840 N NE2 . GLN A-3 1 35 . 70.246 -28.959 -0.178 1 21.28 ? NE2 GLN A-3 35 1 
ATOM 2841 H H . GLN A-3 1 35 . 70.732 -23.563 -1.281 1 17.32 ? H GLN A-3 35 1 
ATOM 2842 H HA . GLN A-3 1 35 . 68.473 -24.359 0.007 1 17.3 ? HA GLN A-3 35 1 
ATOM 2843 H HB2 . GLN A-3 1 35 . 71.058 -25.431 0.258 1 19.15 ? HB2 GLN A-3 35 1 
ATOM 2844 H HB3 . GLN A-3 1 35 . 69.883 -25.781 1.273 1 19.15 ? HB3 GLN A-3 35 1 
ATOM 2845 H HG2 . GLN A-3 1 35 . 68.78 -26.996 -0.251 1 20.35 ? HG2 GLN A-3 35 1 
ATOM 2846 H HG3 . GLN A-3 1 35 . 69.531 -26.295 -1.471 1 20.35 ? HG3 GLN A-3 35 1 
ATOM 2847 H HE21 . GLN A-3 1 35 . 70.795 -29.621 -0.179 1 25.53 ? HE21 GLN A-3 35 1 
ATOM 2848 H HE22 . GLN A-3 1 35 . 69.438 -29.07 0.095 1 25.53 ? HE22 GLN A-3 35 1 
ATOM 2849 N N . ILE A-3 1 36 . 68.818 -23.073 2.07 1 13.51 ? N ILE A-3 36 1 
ATOM 2850 C CA . ILE A-3 1 36 . 69.007 -22.166 3.191 1 13.64 ? CA ILE A-3 36 1 
ATOM 2851 C C . ILE A-3 1 36 . 69.995 -22.767 4.138 1 13.68 ? C ILE A-3 36 1 
ATOM 2852 O O . ILE A-3 1 36 . 69.7 -23.804 4.74 1 17 ? O ILE A-3 36 1 
ATOM 2853 C CB . ILE A-3 1 36 . 67.709 -21.807 3.855 1 14.86 ? CB ILE A-3 36 1 
ATOM 2854 C CG1 . ILE A-3 1 36 . 66.831 -21.033 2.841 1 16.12 ? CG1 ILE A-3 36 1 
ATOM 2855 C CG2 . ILE A-3 1 36 . 67.936 -21.028 5.107 1 15.07 ? CG2 ILE A-3 36 1 
ATOM 2856 C CD1 . ILE A-3 1 36 . 65.456 -20.685 3.327 1 19.44 ? CD1 ILE A-3 36 1 
ATOM 2857 H H . ILE A-3 1 36 . 68.081 -23.516 2.101 1 16.21 ? H ILE A-3 36 1 
ATOM 2858 H HA . ILE A-3 1 36 . 69.395 -21.343 2.855 1 16.37 ? HA ILE A-3 36 1 
ATOM 2859 H HB . ILE A-3 1 36 . 67.25 -22.629 4.089 1 17.83 ? HB ILE A-3 36 1 
ATOM 2860 H HG12 . ILE A-3 1 36 . 67.28 -20.204 2.615 1 19.34 ? HG12 ILE A-3 36 1 
ATOM 2861 H HG13 . ILE A-3 1 36 . 66.73 -21.576 2.043 1 19.34 ? HG13 ILE A-3 36 1 
ATOM 2862 H HG21 . ILE A-3 1 36 . 68.463 -21.564 5.721 1 18.08 ? HG21 ILE A-3 36 1 
ATOM 2863 H HG22 . ILE A-3 1 36 . 68.411 -20.212 4.889 1 18.08 ? HG22 ILE A-3 36 1 
ATOM 2864 H HG23 . ILE A-3 1 36 . 67.079 -20.816 5.507 1 18.08 ? HG23 ILE A-3 36 1 
ATOM 2865 H HD11 . ILE A-3 1 36 . 64.986 -20.205 2.627 1 23.33 ? HD11 ILE A-3 36 1 
ATOM 2866 H HD12 . ILE A-3 1 36 . 64.981 -21.502 3.544 1 23.33 ? HD12 ILE A-3 36 1 
ATOM 2867 H HD13 . ILE A-3 1 36 . 65.532 -20.127 4.117 1 23.33 ? HD13 ILE A-3 36 1 
ATOM 2868 N N . GLU A-3 1 37 . 71.131 -22.123 4.317 1 14 ? N GLU A-3 37 1 
ATOM 2869 C CA . GLU A-3 1 37 . 72.134 -22.588 5.242 1 16.02 ? CA GLU A-3 37 1 
ATOM 2870 C C . GLU A-3 1 37 . 71.808 -22.14 6.661 1 14.83 ? C GLU A-3 37 1 
ATOM 2871 O O . GLU A-3 1 37 . 72.018 -22.884 7.623 1 16.69 ? O GLU A-3 37 1 
ATOM 2872 C CB . GLU A-3 1 37 . 73.516 -22.02 4.864 1 22.02 ? CB GLU A-3 37 1 
ATOM 2873 C CG . GLU A-3 1 37 . 74.603 -22.376 5.879 1 33.9 ? CG GLU A-3 37 1 
ATOM 2874 C CD . GLU A-3 1 37 . 75.975 -21.805 5.558 1 50.18 ? CD GLU A-3 37 1 
ATOM 2875 O OE1 . GLU A-3 1 37 . 76.883 -21.962 6.397 1 62.78 ? OE1 GLU A-3 37 1 
ATOM 2876 O OE2 . GLU A-3 1 37 . 76.15 -21.194 4.488 0.61 48.69 ? OE2 GLU A-3 37 1 
ATOM 2877 H H . GLU A-3 1 37 . 71.345 -21.4 3.904 1 16.8 ? H GLU A-3 37 1 
ATOM 2878 H HA . GLU A-3 1 37 . 72.177 -23.557 5.222 1 19.23 ? HA GLU A-3 37 1 
ATOM 2879 H HB2 . GLU A-3 1 37 . 73.78 -22.381 4.003 1 26.43 ? HB2 GLU A-3 37 1 
ATOM 2880 H HB3 . GLU A-3 1 37 . 73.457 -21.053 4.814 1 26.43 ? HB3 GLU A-3 37 1 
ATOM 2881 H HG2 . GLU A-3 1 37 . 74.339 -22.035 6.748 1 40.68 ? HG2 GLU A-3 37 1 
ATOM 2882 H HG3 . GLU A-3 1 37 . 74.687 -23.342 5.918 1 40.68 ? HG3 GLU A-3 37 1 
ATOM 2883 N N . SER A-3 1 38 . 71.339 -20.904 6.803 1 14.39 ? N SER A-3 38 1 
ATOM 2884 C CA . SER A-3 1 38 . 71.093 -20.3 8.075 1 14.93 ? CA SER A-3 38 1 
ATOM 2885 C C . SER A-3 1 38 . 70.277 -19.022 7.831 1 13.7 ? C SER A-3 38 1 
ATOM 2886 O O . SER A-3 1 38 . 70.162 -18.556 6.695 1 13.45 ? O SER A-3 38 1 
ATOM 2887 C CB . SER A-3 1 38 . 72.363 -19.956 8.835 1 18.64 ? CB SER A-3 38 1 
ATOM 2888 O OG . SER A-3 1 38 . 73.179 -19.208 8.033 1 24.13 ? OG SER A-3 38 1 
ATOM 2889 H H . SER A-3 1 38 . 71.153 -20.388 6.141 1 17.27 ? H SER A-3 38 1 
ATOM 2890 H HA . SER A-3 1 38 . 70.564 -20.903 8.621 1 17.91 ? HA SER A-3 38 1 
ATOM 2891 H HB2 . SER A-3 1 38 . 72.134 -19.444 9.626 1 22.37 ? HB2 SER A-3 38 1 
ATOM 2892 H HB3 . SER A-3 1 38 . 72.819 -20.775 9.083 1 22.37 ? HB3 SER A-3 38 1 
ATOM 2893 H HG . SER A-3 1 38 . 73.884 -19.012 8.445 1 28.96 ? HG SER A-3 38 1 
ATOM 2894 N N . PHE A-3 1 39 . 69.745 -18.47 8.916 1 13.66 ? N PHE A-3 39 1 
ATOM 2895 C CA . PHE A-3 1 39 . 69.007 -17.215 8.81 1 12.9 ? CA PHE A-3 39 1 
ATOM 2896 C C . PHE A-3 1 39 . 68.999 -16.59 10.192 1 13.34 ? C PHE A-3 39 1 
ATOM 2897 O O . PHE A-3 1 39 . 69.203 -17.254 11.194 1 15.13 ? O PHE A-3 39 1 
ATOM 2898 C CB . PHE A-3 1 39 . 67.585 -17.432 8.257 1 13.35 ? CB PHE A-3 39 1 
ATOM 2899 C CG . PHE A-3 1 39 . 66.727 -18.265 9.142 1 13.99 ? CG PHE A-3 39 1 
ATOM 2900 C CD1 . PHE A-3 1 39 . 66.786 -19.663 9.04 1 15.87 ? CD1 PHE A-3 39 1 
ATOM 2901 C CD2 . PHE A-3 1 39 . 65.896 -17.668 10.112 1 15.48 ? CD2 PHE A-3 39 1 
ATOM 2902 C CE1 . PHE A-3 1 39 . 66.009 -20.437 9.901 1 17.63 ? CE1 PHE A-3 39 1 
ATOM 2903 C CE2 . PHE A-3 1 39 . 65.1 -18.441 10.916 1 19.03 ? CE2 PHE A-3 39 1 
ATOM 2904 C CZ . PHE A-3 1 39 . 65.162 -19.823 10.82 1 19.28 ? CZ PHE A-3 39 1 
ATOM 2905 H H . PHE A-3 1 39 . 69.794 -18.793 9.711 1 16.39 ? H PHE A-3 39 1 
ATOM 2906 H HA . PHE A-3 1 39 . 69.478 -16.617 8.208 1 15.48 ? HA PHE A-3 39 1 
ATOM 2907 H HB2 . PHE A-3 1 39 . 67.155 -16.57 8.151 1 16.02 ? HB2 PHE A-3 39 1 
ATOM 2908 H HB3 . PHE A-3 1 39 . 67.648 -17.878 7.398 1 16.02 ? HB3 PHE A-3 39 1 
ATOM 2909 H HD1 . PHE A-3 1 39 . 67.349 -20.067 8.42 1 19.05 ? HD1 PHE A-3 39 1 
ATOM 2910 H HD2 . PHE A-3 1 39 . 65.85 -16.741 10.171 1 18.58 ? HD2 PHE A-3 39 1 
ATOM 2911 H HE1 . PHE A-3 1 39 . 66.026 -21.364 9.833 1 21.16 ? HE1 PHE A-3 39 1 
ATOM 2912 H HE2 . PHE A-3 1 39 . 64.55 -18.041 11.551 1 22.84 ? HE2 PHE A-3 39 1 
ATOM 2913 H HZ . PHE A-3 1 39 . 64.639 -20.346 11.382 1 23.14 ? HZ PHE A-3 39 1 
ATOM 2914 N N . ASP A-3 1 40 . 68.707 -15.289 10.23 1 12.6 ? N ASP A-3 40 1 
ATOM 2915 C CA . ASP A-3 1 40 . 68.529 -14.59 11.466 1 13.4 ? CA ASP A-3 40 1 
ATOM 2916 C C . ASP A-3 1 40 . 67.401 -13.58 11.294 1 12.51 ? C ASP A-3 40 1 
ATOM 2917 O O . ASP A-3 1 40 . 66.583 -13.694 10.395 1 13.17 ? O ASP A-3 40 1 
ATOM 2918 C CB . ASP A-3 1 40 . 69.84 -13.988 11.988 1 13.97 ? CB ASP A-3 40 1 
ATOM 2919 C CG . ASP A-3 1 40 . 70.367 -12.8 11.2 1 13.85 ? CG ASP A-3 40 1 
ATOM 2920 O OD1 . ASP A-3 1 40 . 69.656 -12.3 10.323 1 14.8 ? OD1 ASP A-3 40 1 
ATOM 2921 O OD2 . ASP A-3 1 40 . 71.499 -12.348 11.516 1 15.52 ? OD2 ASP A-3 40 1 
ATOM 2922 H H . ASP A-3 1 40 . 68.608 -14.795 9.533 1 15.12 ? H ASP A-3 40 1 
ATOM 2923 H HA . ASP A-3 1 40 . 68.232 -15.232 12.13 1 16.08 ? HA ASP A-3 40 1 
ATOM 2924 H HB2 . ASP A-3 1 40 . 69.701 -13.694 12.902 1 16.77 ? HB2 ASP A-3 40 1 
ATOM 2925 H HB3 . ASP A-3 1 40 . 70.524 -14.677 11.97 1 16.77 ? HB3 ASP A-3 40 1 
ATOM 2926 N N . GLN A-3 1 41 . 67.334 -12.624 12.209 1 13.44 ? N GLN A-3 41 1 
ATOM 2927 C CA . GLN A-3 1 41 . 66.301 -11.645 12.155 1 13.9 ? CA GLN A-3 41 1 
ATOM 2928 C C . GLN A-3 1 41 . 66.153 -10.935 10.786 1 12.56 ? C GLN A-3 41 1 
ATOM 2929 O O . GLN A-3 1 41 . 65.031 -10.687 10.328 1 13.49 ? O GLN A-3 41 1 
ATOM 2930 C CB . GLN A-3 1 41 . 66.607 -10.605 13.239 1 16.07 ? CB GLN A-3 41 1 
ATOM 2931 C CG . GLN A-3 1 41 . 65.588 -9.545 13.316 1 17.95 ? CG GLN A-3 41 1 
ATOM 2932 C CD . GLN A-3 1 41 . 65.793 -8.714 14.518 1 19.09 ? CD GLN A-3 41 1 
ATOM 2933 O OE1 . GLN A-3 1 41 . 66.938 -8.381 14.916 1 20.15 ? OE1 GLN A-3 41 1 
ATOM 2934 N NE2 . GLN A-3 1 41 . 64.692 -8.323 15.119 1 20.8 ? NE2 GLN A-3 41 1 
ATOM 2935 H H . GLN A-3 1 41 . 67.88 -12.533 12.866 1 16.13 ? H GLN A-3 41 1 
ATOM 2936 H HA . GLN A-3 1 41 . 65.453 -12.065 12.37 1 16.68 ? HA GLN A-3 41 1 
ATOM 2937 H HB2 . GLN A-3 1 41 . 66.644 -11.048 14.101 1 19.28 ? HB2 GLN A-3 41 1 
ATOM 2938 H HB3 . GLN A-3 1 41 . 67.46 -10.187 13.043 1 19.28 ? HB3 GLN A-3 41 1 
ATOM 2939 H HG2 . GLN A-3 1 41 . 65.656 -8.974 12.534 1 21.54 ? HG2 GLN A-3 41 1 
ATOM 2940 H HG3 . GLN A-3 1 41 . 64.708 -9.946 13.368 1 21.54 ? HG3 GLN A-3 41 1 
ATOM 2941 H HE21 . GLN A-3 1 41 . 64.738 -7.836 15.826 1 24.96 ? HE21 GLN A-3 41 1 
ATOM 2942 H HE22 . GLN A-3 1 41 . 63.926 -8.554 14.805 1 24.96 ? HE22 GLN A-3 41 1 
ATOM 2943 N N . PHE A-3 1 42 . 67.281 -10.579 10.191 1 11.98 ? N PHE A-3 42 1 
ATOM 2944 C CA . PHE A-3 1 42 . 67.288 -9.728 9.014 1 11.84 ? CA PHE A-3 42 1 
ATOM 2945 C C . PHE A-3 1 42 . 67.764 -10.371 7.709 1 11.18 ? C PHE A-3 42 1 
ATOM 2946 O O . PHE A-3 1 42 . 67.545 -9.778 6.661 1 11.21 ? O PHE A-3 42 1 
ATOM 2947 C CB . PHE A-3 1 42 . 68.087 -8.473 9.276 1 12.28 ? CB PHE A-3 42 1 
ATOM 2948 C CG . PHE A-3 1 42 . 67.464 -7.575 10.315 1 12.96 ? CG PHE A-3 42 1 
ATOM 2949 C CD1 . PHE A-3 1 42 . 66.192 -7.041 10.128 1 15.43 ? CD1 PHE A-3 42 1 
ATOM 2950 C CD2 . PHE A-3 1 42 . 68.161 -7.222 11.443 1 14.45 ? CD2 PHE A-3 42 1 
ATOM 2951 C CE1 . PHE A-3 1 42 . 65.646 -6.185 11.067 1 16.69 ? CE1 PHE A-3 42 1 
ATOM 2952 C CE2 . PHE A-3 1 42 . 67.588 -6.365 12.378 1 17.13 ? CE2 PHE A-3 42 1 
ATOM 2953 C CZ . PHE A-3 1 42 . 66.321 -5.866 12.181 1 17.55 ? CZ PHE A-3 42 1 
ATOM 2954 H H . PHE A-3 1 42 . 68.065 -10.819 10.453 1 14.38 ? H PHE A-3 42 1 
ATOM 2955 H HA . PHE A-3 1 42 . 66.373 -9.445 8.86 1 14.21 ? HA PHE A-3 42 1 
ATOM 2956 H HB2 . PHE A-3 1 42 . 68.971 -8.723 9.589 1 14.74 ? HB2 PHE A-3 42 1 
ATOM 2957 H HB3 . PHE A-3 1 42 . 68.16 -7.969 8.451 1 14.74 ? HB3 PHE A-3 42 1 
ATOM 2958 H HD1 . PHE A-3 1 42 . 65.709 -7.257 9.363 1 18.52 ? HD1 PHE A-3 42 1 
ATOM 2959 H HD2 . PHE A-3 1 42 . 69.015 -7.559 11.585 1 17.34 ? HD2 PHE A-3 42 1 
ATOM 2960 H HE1 . PHE A-3 1 42 . 64.789 -5.848 10.938 1 20.03 ? HE1 PHE A-3 42 1 
ATOM 2961 H HE2 . PHE A-3 1 42 . 68.06 -6.14 13.148 1 20.56 ? HE2 PHE A-3 42 1 
ATOM 2962 H HZ . PHE A-3 1 42 . 65.943 -5.294 12.808 1 21.06 ? HZ PHE A-3 42 1 
ATOM 2963 N N . VAL A-3 1 43 . 68.457 -11.505 7.759 1 11.02 ? N VAL A-3 43 1 
ATOM 2964 C CA . VAL A-3 1 43 . 69.072 -12.061 6.571 1 11.27 ? CA VAL A-3 43 1 
ATOM 2965 C C . VAL A-3 1 43 . 68.828 -13.56 6.489 1 11.18 ? C VAL A-3 43 1 
ATOM 2966 O O . VAL A-3 1 43 . 68.546 -14.247 7.479 1 12.18 ? O VAL A-3 43 1 
ATOM 2967 C CB . VAL A-3 1 43 . 70.603 -11.772 6.479 1 11.68 ? CB VAL A-3 43 1 
ATOM 2968 C CG1 . VAL A-3 1 43 . 70.885 -10.283 6.579 1 12.51 ? CG1 VAL A-3 43 1 
ATOM 2969 C CG2 . VAL A-3 1 43 . 71.403 -12.56 7.512 1 13.82 ? CG2 VAL A-3 43 1 
ATOM 2970 H H . VAL A-3 1 43 . 68.583 -11.968 8.473 1 13.22 ? H VAL A-3 43 1 
ATOM 2971 H HA . VAL A-3 1 43 . 68.655 -11.656 5.794 1 13.53 ? HA VAL A-3 43 1 
ATOM 2972 H HB . VAL A-3 1 43 . 70.909 -12.06 5.605 1 14.02 ? HB VAL A-3 43 1 
ATOM 2973 H HG11 . VAL A-3 1 43 . 71.842 -10.139 6.519 1 15.01 ? HG11 VAL A-3 43 1 
ATOM 2974 H HG12 . VAL A-3 1 43 . 70.435 -9.827 5.851 1 15.01 ? HG12 VAL A-3 43 1 
ATOM 2975 H HG13 . VAL A-3 1 43 . 70.553 -9.956 7.43 1 15.01 ? HG13 VAL A-3 43 1 
ATOM 2976 H HG21 . VAL A-3 1 43 . 70.793 -13.101 8.038 1 16.59 ? HG21 VAL A-3 43 1 
ATOM 2977 H HG22 . VAL A-3 1 43 . 72.037 -13.13 7.051 1 16.59 ? HG22 VAL A-3 43 1 
ATOM 2978 H HG23 . VAL A-3 1 43 . 71.874 -11.938 8.088 1 16.59 ? HG23 VAL A-3 43 1 
ATOM 2979 N N . ILE A-3 1 44 . 68.98 -14.054 5.27 1 11.46 ? N ILE A-3 44 1 
ATOM 2980 C CA . ILE A-3 1 44 . 68.975 -15.49 4.962 1 11.67 ? CA ILE A-3 44 1 
ATOM 2981 C C . ILE A-3 1 44 . 70.299 -15.738 4.223 1 12 ? C ILE A-3 44 1 
ATOM 2982 O O . ILE A-3 1 44 . 70.617 -15.039 3.271 1 13.21 ? O ILE A-3 44 1 
ATOM 2983 C CB . ILE A-3 1 44 . 67.769 -15.881 4.095 1 12.35 ? CB ILE A-3 44 1 
ATOM 2984 C CG1 . ILE A-3 1 44 . 66.453 -15.6 4.877 1 13.04 ? CG1 ILE A-3 44 1 
ATOM 2985 C CG2 . ILE A-3 1 44 . 67.872 -17.315 3.664 1 14.26 ? CG2 ILE A-3 44 1 
ATOM 2986 C CD1 . ILE A-3 1 44 . 65.203 -15.831 4.065 1 13.83 ? CD1 ILE A-3 44 1 
ATOM 2987 H H . ILE A-3 1 44 . 69.091 -13.562 4.573 1 13.75 ? H ILE A-3 44 1 
ATOM 2988 H HA . ILE A-3 1 44 . 68.963 -16.008 5.781 1 14.01 ? HA ILE A-3 44 1 
ATOM 2989 H HB . ILE A-3 1 44 . 67.772 -15.324 3.301 1 14.83 ? HB ILE A-3 44 1 
ATOM 2990 H HG12 . ILE A-3 1 44 . 66.417 -16.186 5.649 1 15.65 ? HG12 ILE A-3 44 1 
ATOM 2991 H HG13 . ILE A-3 1 44 . 66.453 -14.674 5.166 1 15.65 ? HG13 ILE A-3 44 1 
ATOM 2992 H HG21 . ILE A-3 1 44 . 68.687 -17.431 3.149 1 17.12 ? HG21 ILE A-3 44 1 
ATOM 2993 H HG22 . ILE A-3 1 44 . 67.896 -17.88 4.452 1 17.12 ? HG22 ILE A-3 44 1 
ATOM 2994 H HG23 . ILE A-3 1 44 . 67.101 -17.537 3.119 1 17.12 ? HG23 ILE A-3 44 1 
ATOM 2995 H HD11 . ILE A-3 1 44 . 65.215 -15.245 3.292 1 16.6 ? HD11 ILE A-3 44 1 
ATOM 2996 H HD12 . ILE A-3 1 44 . 65.18 -16.758 3.777 1 16.6 ? HD12 ILE A-3 44 1 
ATOM 2997 H HD13 . ILE A-3 1 44 . 64.428 -15.637 4.616 1 16.6 ? HD13 ILE A-3 44 1 
ATOM 2998 N N . LEU A-3 1 45 . 71.019 -16.779 4.639 1 12.01 ? N LEU A-3 45 1 
ATOM 2999 C CA A LEU A-3 1 45 . 72.185 -17.248 3.943 0.36 15.21 ? CA LEU A-3 45 1 
ATOM 3000 C CA B LEU A-3 1 45 . 72.208 -17.224 3.972 0.64 12.39 ? CA LEU A-3 45 1 
ATOM 3001 C C . LEU A-3 1 45 . 71.828 -18.35 3.003 1 12.4 ? C LEU A-3 45 1 
ATOM 3002 O O . LEU A-3 1 45 . 71.367 -19.417 3.467 1 13.99 ? O LEU A-3 45 1 
ATOM 3003 C CB A LEU A-3 1 45 . 73.41 -17.536 4.793 0.36 18.76 ? CB LEU A-3 45 1 
ATOM 3004 C CB B LEU A-3 1 45 . 73.329 -17.641 4.938 0.64 13.42 ? CB LEU A-3 45 1 
ATOM 3005 C CG A LEU A-3 1 45 . 74.384 -16.408 5.105 0.36 22.53 ? CG LEU A-3 45 1 
ATOM 3006 C CG B LEU A-3 1 45 . 74.683 -17.889 4.257 0.64 20.63 ? CG LEU A-3 45 1 
ATOM 3007 C CD1 A LEU A-3 1 45 . 73.698 -15.283 5.791 0.36 23.31 ? CD1 LEU A-3 45 1 
ATOM 3008 C CD1 B LEU A-3 1 45 . 75.21 -16.596 3.608 0.64 22.98 ? CD1 LEU A-3 45 1 
ATOM 3009 C CD2 A LEU A-3 1 45 . 75.536 -16.976 5.92 0.36 24.44 ? CD2 LEU A-3 45 1 
ATOM 3010 C CD2 B LEU A-3 1 45 . 75.69 -18.392 5.223 0.64 22.95 ? CD2 LEU A-3 45 1 
ATOM 3011 H H . LEU A-3 1 45 . 70.825 -17.24 5.338 1 14.41 ? H LEU A-3 45 1 
ATOM 3012 H HA . LEU A-3 1 45 . 71.927 -17.978 4.521 0.36 14.86 ? HA LEU A-3 45 1 
ATOM 3013 H HB2 A LEU A-3 1 45 . 73.1 -17.878 5.647 0.36 22.52 ? HB2 LEU A-3 45 1 
ATOM 3014 H HB2 B LEU A-3 1 45 . 73.452 -16.936 5.594 0.64 16.11 ? HB2 LEU A-3 45 1 
ATOM 3015 H HB3 A LEU A-3 1 45 . 73.921 -18.229 4.346 0.36 22.52 ? HB3 LEU A-3 45 1 
ATOM 3016 H HB3 B LEU A-3 1 45 . 73.067 -18.461 5.384 0.64 16.11 ? HB3 LEU A-3 45 1 
ATOM 3017 H HG A LEU A-3 1 45 . 74.748 -16.07 4.272 0.36 27.04 ? HG LEU A-3 45 1 
ATOM 3018 H HG B LEU A-3 1 45 . 74.572 -18.555 3.561 0.64 24.76 ? HG LEU A-3 45 1 
ATOM 3019 H HD11 A LEU A-3 1 45 . 74.345 -14.584 5.974 0.36 27.97 ? HD11 LEU A-3 45 1 
ATOM 3020 H HD11 B LEU A-3 1 45 . 74.57 -16.294 2.944 0.64 27.58 ? HD11 LEU A-3 45 1 
ATOM 3021 H HD12 A LEU A-3 1 45 . 72.997 -14.943 5.214 0.36 27.97 ? HD12 LEU A-3 45 1 
ATOM 3022 H HD12 B LEU A-3 1 45 . 75.319 -15.92 4.295 0.64 27.58 ? HD12 LEU A-3 45 1 
ATOM 3023 H HD13 A LEU A-3 1 45 . 73.316 -15.607 6.621 0.36 27.97 ? HD13 LEU A-3 45 1 
ATOM 3024 H HD13 B LEU A-3 1 45 . 76.063 -16.781 3.186 0.64 27.58 ? HD13 LEU A-3 45 1 
ATOM 3025 H HD21 A LEU A-3 1 45 . 76.16 -16.263 6.123 0.36 29.33 ? HD21 LEU A-3 45 1 
ATOM 3026 H HD21 B LEU A-3 1 45 . 75.81 -17.733 5.925 0.64 27.54 ? HD21 LEU A-3 45 1 
ATOM 3027 H HD22 A LEU A-3 1 45 . 75.184 -17.352 6.743 0.36 29.33 ? HD22 LEU A-3 45 1 
ATOM 3028 H HD22 B LEU A-3 1 45 . 75.374 -19.227 5.603 0.64 27.54 ? HD22 LEU A-3 45 1 
ATOM 3029 H HD23 A LEU A-3 1 45 . 75.977 -17.668 5.403 0.36 29.33 ? HD23 LEU A-3 45 1 
ATOM 3030 H HD23 B LEU A-3 1 45 . 76.528 -18.537 4.758 0.64 27.54 ? HD23 LEU A-3 45 1 
ATOM 3031 N N . LEU A-3 1 46 . 72.001 -18.157 1.717 1 12.8 ? N LEU A-3 46 1 
ATOM 3032 C CA . LEU A-3 1 46 . 71.567 -19.068 0.661 1 12.37 ? CA LEU A-3 46 1 
ATOM 3033 C C . LEU A-3 1 46 . 72.788 -19.683 0.002 1 12.95 ? C LEU A-3 46 1 
ATOM 3034 O O . LEU A-3 1 46 . 73.624 -18.981 -0.56 1 13.89 ? O LEU A-3 46 1 
ATOM 3035 C CB . LEU A-3 1 46 . 70.756 -18.329 -0.372 1 13.24 ? CB LEU A-3 46 1 
ATOM 3036 C CG . LEU A-3 1 46 . 70.051 -19.193 -1.412 1 14.45 ? CG LEU A-3 46 1 
ATOM 3037 C CD1 . LEU A-3 1 46 . 68.937 -20.028 -0.848 1 15.35 ? CD1 LEU A-3 46 1 
ATOM 3038 C CD2 . LEU A-3 1 46 . 69.6 -18.332 -2.557 1 16.85 ? CD2 LEU A-3 46 1 
ATOM 3039 H H . LEU A-3 1 46 . 72.392 -17.459 1.403 1 15.36 ? H LEU A-3 46 1 
ATOM 3040 H HA . LEU A-3 1 46 . 71.023 -19.777 1.04 1 14.85 ? HA LEU A-3 46 1 
ATOM 3041 H HB2 . LEU A-3 1 46 . 70.074 -17.815 0.087 1 15.88 ? HB2 LEU A-3 46 1 
ATOM 3042 H HB3 . LEU A-3 1 46 . 71.346 -17.726 -0.85 1 15.88 ? HB3 LEU A-3 46 1 
ATOM 3043 H HG . LEU A-3 1 46 . 70.706 -19.812 -1.771 1 17.34 ? HG LEU A-3 46 1 
ATOM 3044 H HD11 . LEU A-3 1 46 . 68.272 -19.442 -0.454 1 18.42 ? HD11 LEU A-3 46 1 
ATOM 3045 H HD12 . LEU A-3 1 46 . 68.538 -20.547 -1.564 1 18.42 ? HD12 LEU A-3 46 1 
ATOM 3046 H HD13 . LEU A-3 1 46 . 69.299 -20.621 -0.171 1 18.42 ? HD13 LEU A-3 46 1 
ATOM 3047 H HD21 . LEU A-3 1 46 . 69.153 -18.889 -3.213 1 20.22 ? HD21 LEU A-3 46 1 
ATOM 3048 H HD22 . LEU A-3 1 46 . 68.988 -17.657 -2.223 1 20.22 ? HD22 LEU A-3 46 1 
ATOM 3049 H HD23 . LEU A-3 1 46 . 70.375 -17.908 -2.956 1 20.22 ? HD23 LEU A-3 46 1 
ATOM 3050 N N . LYS A-3 1 47 . 72.907 -21.007 0.098 1 14.92 ? N LYS A-3 47 1 
ATOM 3051 C CA A LYS A-3 1 47 . 74 -21.757 -0.519 0.55 17.41 ? CA LYS A-3 47 1 
ATOM 3052 C CA B LYS A-3 1 47 . 74.012 -21.735 -0.506 0.45 16.29 ? CA LYS A-3 47 1 
ATOM 3053 C CA C LYS A-3 1 47 . 74.006 -21.76 -0.515 0 19.61 ? CA LYS A-3 47 1 
ATOM 3054 C C . LYS A-3 1 47 . 73.678 -22.027 -1.94 1 19.58 ? C LYS A-3 47 1 
ATOM 3055 O O . LYS A-3 1 47 . 72.635 -22.608 -2.167 1 25.43 ? O LYS A-3 47 1 
ATOM 3056 C CB A LYS A-3 1 47 . 74.088 -23.169 0.052 0.55 22.32 ? CB LYS A-3 47 1 
ATOM 3057 C CB B LYS A-3 1 47 . 74.268 -23.033 0.237 0.45 20.36 ? CB LYS A-3 47 1 
ATOM 3058 C CB C LYS A-3 1 47 . 74.121 -23.151 0.104 0 25.98 ? CB LYS A-3 47 1 
ATOM 3059 C CG A LYS A-3 1 47 . 74.235 -23.297 1.509 0.55 24.44 ? CG LYS A-3 47 1 
ATOM 3060 C CG B LYS A-3 1 47 . 75.491 -23.777 -0.261 0.45 22.72 ? CG LYS A-3 47 1 
ATOM 3061 C CG C LYS A-3 1 47 . 74.262 -23.182 1.587 0 32.88 ? CG LYS A-3 47 1 
ATOM 3062 C CD A LYS A-3 1 47 . 74.193 -24.811 1.881 0.55 27.38 ? CD LYS A-3 47 1 
ATOM 3063 C CD B LYS A-3 1 47 . 76.828 -22.96 -0.332 0.45 25.17 ? CD LYS A-3 47 1 
ATOM 3064 C CD C LYS A-3 1 47 . 75.72 -23.166 1.983 0 39.64 ? CD LYS A-3 47 1 
ATOM 3065 C CE A LYS A-3 1 47 . 74.576 -25.096 3.319 0.55 29.86 ? CE LYS A-3 47 1 
ATOM 3066 C CE B LYS A-3 1 47 . 78.049 -23.912 -0.486 0.45 27.19 ? CE LYS A-3 47 1 
ATOM 3067 C CE C LYS A-3 1 47 . 76.188 -24.516 2.497 0 44.1 ? CE LYS A-3 47 1 
ATOM 3068 N NZ A LYS A-3 1 47 . 76.036 -24.851 3.552 0.55 32.96 ? NZ LYS A-3 47 1 
ATOM 3069 N NZ B LYS A-3 1 47 . 78.953 -23.732 -1.727 0.45 23.93 ? NZ LYS A-3 47 1 
ATOM 3070 N NZ C LYS A-3 1 47 . 77.237 -25.103 1.621 0 45.99 ? NZ LYS A-3 47 1 
ATOM 3071 H H . LYS A-3 1 47 . 72.348 -21.503 0.524 1 17.91 ? H LYS A-3 47 1 
ATOM 3072 H HA . LYS A-3 1 47 . 74.839 -21.259 -0.454 0.55 23.54 ? HA LYS A-3 47 1 
ATOM 3073 H HB2 A LYS A-3 1 47 . 73.28 -23.645 -0.195 0.55 26.78 ? HB2 LYS A-3 47 1 
ATOM 3074 H HB2 B LYS A-3 1 47 . 74.4 -22.835 1.177 0.45 24.44 ? HB2 LYS A-3 47 1 
ATOM 3075 H HB2 C LYS A-3 1 47 . 73.325 -23.656 -0.123 0 31.18 ? HB2 LYS A-3 47 1 
ATOM 3076 H HB3 A LYS A-3 1 47 . 74.854 -23.609 -0.351 0.55 26.78 ? HB3 LYS A-3 47 1 
ATOM 3077 H HB3 B LYS A-3 1 47 . 73.499 -23.614 0.126 0.45 24.44 ? HB3 LYS A-3 47 1 
ATOM 3078 H HB3 C LYS A-3 1 47 . 74.901 -23.59 -0.271 0 31.18 ? HB3 LYS A-3 47 1 
ATOM 3079 H HG2 A LYS A-3 1 47 . 75.088 -22.929 1.787 0.55 29.32 ? HG2 LYS A-3 47 1 
ATOM 3080 H HG2 B LYS A-3 1 47 . 75.647 -24.532 0.328 0.45 27.26 ? HG2 LYS A-3 47 1 
ATOM 3081 H HG2 C LYS A-3 1 47 . 73.832 -22.401 1.969 0 39.45 ? HG2 LYS A-3 47 1 
ATOM 3082 H HG3 A LYS A-3 1 47 . 73.502 -22.844 1.954 0.55 29.32 ? HG3 LYS A-3 47 1 
ATOM 3083 H HG3 B LYS A-3 1 47 . 75.305 -24.102 -1.156 0.45 27.26 ? HG3 LYS A-3 47 1 
ATOM 3084 H HG3 C LYS A-3 1 47 . 73.86 -23.994 1.933 0 39.45 ? HG3 LYS A-3 47 1 
ATOM 3085 H HD2 A LYS A-3 1 47 . 73.292 -25.142 1.742 0.55 32.85 ? HD2 LYS A-3 47 1 
ATOM 3086 H HD2 B LYS A-3 1 47 . 76.803 -22.367 -1.1 0.45 30.2 ? HD2 LYS A-3 47 1 
ATOM 3087 H HD2 C LYS A-3 1 47 . 76.258 -22.935 1.209 0 47.56 ? HD2 LYS A-3 47 1 
ATOM 3088 H HD3 A LYS A-3 1 47 . 74.813 -25.291 1.309 0.55 32.85 ? HD3 LYS A-3 47 1 
ATOM 3089 H HD3 B LYS A-3 1 47 . 76.938 -22.45 0.485 0.45 30.2 ? HD3 LYS A-3 47 1 
ATOM 3090 H HD3 C LYS A-3 1 47 . 75.852 -22.512 2.688 0 47.56 ? HD3 LYS A-3 47 1 
ATOM 3091 H HE2 A LYS A-3 1 47 . 74.071 -24.514 3.908 0.55 35.84 ? HE2 LYS A-3 47 1 
ATOM 3092 H HE2 B LYS A-3 1 47 . 78.616 -23.799 0.294 0.45 32.62 ? HE2 LYS A-3 47 1 
ATOM 3093 H HE2 C LYS A-3 1 47 . 76.56 -24.409 3.386 0 52.92 ? HE2 LYS A-3 47 1 
ATOM 3094 H HE3 A LYS A-3 1 47 . 74.387 -26.026 3.523 0.55 35.84 ? HE3 LYS A-3 47 1 
ATOM 3095 H HE3 B LYS A-3 1 47 . 77.717 -24.823 -0.508 0.45 32.62 ? HE3 LYS A-3 47 1 
ATOM 3096 H HE3 C LYS A-3 1 47 . 75.435 -25.128 2.519 0 52.92 ? HE3 LYS A-3 47 1 
ATOM 3097 H HZ1 A LYS A-3 1 47 . 76.521 -25.377 3.024 0.55 39.56 ? HZ1 LYS A-3 47 1 
ATOM 3098 H HZ1 B LYS A-3 1 47 . 78.476 -23.851 -2.469 0.45 28.72 ? HZ1 LYS A-3 47 1 
ATOM 3099 H HZ1 C LYS A-3 1 47 . 76.919 -25.214 0.798 0 55.19 ? HZ1 LYS A-3 47 1 
ATOM 3100 H HZ2 A LYS A-3 1 47 . 76.234 -24 3.374 0.55 39.56 ? HZ2 LYS A-3 47 1 
ATOM 3101 H HZ2 B LYS A-3 1 47 . 79.3 -22.913 -1.734 0.45 28.72 ? HZ2 LYS A-3 47 1 
ATOM 3102 H HZ2 C LYS A-3 1 47 . 77.942 -24.56 1.588 0 55.19 ? HZ2 LYS A-3 47 1 
ATOM 3103 H HZ3 A LYS A-3 1 47 . 76.242 -25.022 4.401 0.55 39.56 ? HZ3 LYS A-3 47 1 
ATOM 3104 H HZ3 B LYS A-3 1 47 . 79.615 -24.327 -1.71 0.45 28.72 ? HZ3 LYS A-3 47 1 
ATOM 3105 H HZ3 C LYS A-3 1 47 . 77.495 -25.892 1.942 0 55.19 ? HZ3 LYS A-3 47 1 
ATOM 3106 N N . THR A-3 1 49 . 77.898 -21.572 -5.684 0.76 23.97 ? N THR A-3 49 1 
ATOM 3107 C CA . THR A-3 1 49 . 79.334 -21.731 -5.447 1 25.06 ? CA THR A-3 49 1 
ATOM 3108 C C . THR A-3 1 49 . 79.778 -21.212 -4.042 0.87 22.97 ? C THR A-3 49 1 
ATOM 3109 O O . THR A-3 1 49 . 80.578 -21.824 -3.374 1 25.23 ? O THR A-3 49 1 
ATOM 3110 C CB . THR A-3 1 49 . 80.14 -21.049 -6.527 0.71 27.57 ? CB THR A-3 49 1 
ATOM 3111 O OG1 . THR A-3 1 49 . 79.833 -21.655 -7.788 0.53 29.04 ? OG1 THR A-3 49 1 
ATOM 3112 C CG2 . THR A-3 1 49 . 81.639 -21.194 -6.255 0.42 28.25 ? CG2 THR A-3 49 1 
ATOM 3113 H H . THR A-3 1 49 . 77.691 -21.448 -6.51 0.76 28.76 ? H THR A-3 49 1 
ATOM 3114 H HA . THR A-3 1 49 . 79.545 -22.676 -5.484 1 30.07 ? HA THR A-3 49 1 
ATOM 3115 H HB . THR A-3 1 49 . 79.918 -20.105 -6.555 0.71 33.08 ? HB THR A-3 49 1 
ATOM 3116 H HG1 . THR A-3 1 49 . 79.014 -21.571 -7.955 0.53 34.84 ? HG1 THR A-3 49 1 
ATOM 3117 H HG21 . THR A-3 1 49 . 81.883 -22.133 -6.233 0.42 33.9 ? HG21 THR A-3 49 1 
ATOM 3118 H HG22 . THR A-3 1 49 . 81.861 -20.79 -5.402 0.42 33.9 ? HG22 THR A-3 49 1 
ATOM 3119 H HG23 . THR A-3 1 49 . 82.147 -20.753 -6.954 0.42 33.9 ? HG23 THR A-3 49 1 
ATOM 3120 N N . VAL A-3 1 50 . 79.228 -20.125 -3.59 1 23.46 ? N VAL A-3 50 1 
ATOM 3121 C CA . VAL A-3 1 50 . 79.447 -19.527 -2.25 1 20.02 ? CA VAL A-3 50 1 
ATOM 3122 C C . VAL A-3 1 50 . 78.056 -19.375 -1.587 1 18.68 ? C VAL A-3 50 1 
ATOM 3123 O O . VAL A-3 1 50 . 77.021 -19.605 -2.186 1 24.31 ? O VAL A-3 50 1 
ATOM 3124 C CB . VAL A-3 1 50 . 80.117 -18.159 -2.346 1 20.17 ? CB VAL A-3 50 1 
ATOM 3125 C CG1 . VAL A-3 1 50 . 81.525 -18.308 -2.905 1 20.75 ? CG1 VAL A-3 50 1 
ATOM 3126 C CG2 . VAL A-3 1 50 . 79.238 -17.212 -3.149 1 20.98 ? CG2 VAL A-3 50 1 
ATOM 3127 H H . VAL A-3 1 50 . 78.676 -19.662 -4.06 1 28.15 ? H VAL A-3 50 1 
ATOM 3128 H HA . VAL A-3 1 50 . 79.997 -20.113 -1.708 1 24.03 ? HA VAL A-3 50 1 
ATOM 3129 H HB . VAL A-3 1 50 . 80.196 -17.794 -1.451 1 24.2 ? HB VAL A-3 50 1 
ATOM 3130 H HG11 . VAL A-3 1 50 . 81.936 -17.432 -2.959 1 24.91 ? HG11 VAL A-3 50 1 
ATOM 3131 H HG12 . VAL A-3 1 50 . 82.04 -18.88 -2.314 1 24.91 ? HG12 VAL A-3 50 1 
ATOM 3132 H HG13 . VAL A-3 1 50 . 81.473 -18.706 -3.788 1 24.91 ? HG13 VAL A-3 50 1 
ATOM 3133 H HG21 . VAL A-3 1 50 . 78.437 -17.684 -3.428 1 25.18 ? HG21 VAL A-3 50 1 
ATOM 3134 H HG22 . VAL A-3 1 50 . 78.998 -16.455 -2.591 1 25.18 ? HG22 VAL A-3 50 1 
ATOM 3135 H HG23 . VAL A-3 1 50 . 79.731 -16.906 -3.926 1 25.18 ? HG23 VAL A-3 50 1 
ATOM 3136 N N . SER A-3 1 51 . 78.051 -19.091 -0.339 1 19.83 ? N SER A-3 51 1 
ATOM 3137 C CA A SER A-3 1 51 . 76.824 -18.649 0.255 0.77 19.22 ? CA SER A-3 51 1 
ATOM 3138 C CA B SER A-3 1 51 . 76.835 -18.661 0.313 0.23 20.41 ? CA SER A-3 51 1 
ATOM 3139 C C . SER A-3 1 51 . 76.677 -17.162 0.068 1 19.05 ? C SER A-3 51 1 
ATOM 3140 O O . SER A-3 1 51 . 77.66 -16.407 0.211 1 23.01 ? O SER A-3 51 1 
ATOM 3141 C CB A SER A-3 1 51 . 76.837 -19.038 1.723 0.77 22.66 ? CB SER A-3 51 1 
ATOM 3142 C CB B SER A-3 1 51 . 76.919 -18.976 1.809 0.23 23.29 ? CB SER A-3 51 1 
ATOM 3143 O OG A SER A-3 1 51 . 76.844 -20.431 1.779 0.77 26.4 ? OG SER A-3 51 1 
ATOM 3144 O OG B SER A-3 1 51 . 77.888 -18.163 2.448 0.23 25.69 ? OG SER A-3 51 1 
ATOM 3145 H H A SER A-3 1 51 . 78.725 -19.141 0.193 0.77 23.8 ? H SER A-3 51 1 
ATOM 3146 H H B SER A-3 1 51 . 78.736 -19.135 0.178 0.23 23.8 ? H SER A-3 51 1 
ATOM 3147 H HA A SER A-3 1 51 . 76.076 -19.091 -0.176 0.77 23.06 ? HA SER A-3 51 1 
ATOM 3148 H HA B SER A-3 1 51 . 76.073 -19.126 -0.066 0.23 24.5 ? HA SER A-3 51 1 
ATOM 3149 H HB2 A SER A-3 1 51 . 77.636 -18.689 2.147 0.77 27.19 ? HB2 SER A-3 51 1 
ATOM 3150 H HB2 B SER A-3 1 51 . 76.053 -18.81 2.214 0.23 27.95 ? HB2 SER A-3 51 1 
ATOM 3151 H HB3 A SER A-3 1 51 . 76.039 -18.698 2.159 0.77 27.19 ? HB3 SER A-3 51 1 
ATOM 3152 H HB3 B SER A-3 1 51 . 77.165 -19.906 1.922 0.23 27.95 ? HB3 SER A-3 51 1 
ATOM 3153 H HG A SER A-3 1 51 . 76.159 -20.738 1.402 0.77 31.68 ? HG SER A-3 51 1 
ATOM 3154 H HG B SER A-3 1 51 . 78.644 -18.296 2.107 0.23 30.83 ? HG SER A-3 51 1 
ATOM 3155 N N . GLN A-3 1 52 . 75.465 -16.752 -0.29 1 14.8 ? N GLN A-3 52 1 
ATOM 3156 C CA . GLN A-3 1 52 . 75.209 -15.338 -0.378 1 15.85 ? CA GLN A-3 52 1 
ATOM 3157 C C . GLN A-3 1 52 . 74.251 -14.913 0.687 1 13.15 ? C GLN A-3 52 1 
ATOM 3158 O O . GLN A-3 1 52 . 73.327 -15.644 1.084 1 14.99 ? O GLN A-3 52 1 
ATOM 3159 C CB . GLN A-3 1 52 . 74.776 -14.981 -1.726 1 17.84 ? CB GLN A-3 52 1 
ATOM 3160 C CG . GLN A-3 1 52 . 73.482 -15.483 -2.006 1 16.84 ? CG GLN A-3 52 1 
ATOM 3161 C CD . GLN A-3 1 52 . 73.071 -15.171 -3.45 1 19.29 ? CD GLN A-3 52 1 
ATOM 3162 O OE1 . GLN A-3 1 52 . 72.842 -14.016 -3.813 1 20.61 ? OE1 GLN A-3 52 1 
ATOM 3163 N NE2 . GLN A-3 1 52 . 73.024 -16.192 -4.288 1 22.31 ? NE2 GLN A-3 52 1 
ATOM 3164 H H . GLN A-3 1 52 . 74.799 -17.261 -0.481 1 17.76 ? H GLN A-3 52 1 
ATOM 3165 H HA . GLN A-3 1 52 . 76.043 -14.87 -0.214 1 19.02 ? HA GLN A-3 52 1 
ATOM 3166 H HB2 . GLN A-3 1 52 . 74.752 -14.015 -1.809 1 21.4 ? HB2 GLN A-3 52 1 
ATOM 3167 H HB3 . GLN A-3 1 52 . 75.394 -15.359 -2.371 1 21.4 ? HB3 GLN A-3 52 1 
ATOM 3168 H HG2 . GLN A-3 1 52 . 73.478 -16.445 -1.888 1 20.21 ? HG2 GLN A-3 52 1 
ATOM 3169 H HG3 . GLN A-3 1 52 . 72.84 -15.068 -1.409 1 20.21 ? HG3 GLN A-3 52 1 
ATOM 3170 H HE21 . GLN A-3 1 52 . 72.799 -16.066 -5.109 1 26.77 ? HE21 GLN A-3 52 1 
ATOM 3171 H HE22 . GLN A-3 1 52 . 73.22 -16.983 -4.014 1 26.77 ? HE22 GLN A-3 52 1 
ATOM 3172 N N . MET A-3 1 53 . 74.487 -13.726 1.195 1 11.91 ? N MET A-3 53 1 
ATOM 3173 C CA . MET A-3 1 53 . 73.672 -13.175 2.252 1 11.19 ? CA MET A-3 53 1 
ATOM 3174 C C . MET A-3 1 53 . 72.585 -12.327 1.66 1 11.15 ? C MET A-3 53 1 
ATOM 3175 O O . MET A-3 1 53 . 72.895 -11.289 1.063 1 13.98 ? O MET A-3 53 1 
ATOM 3176 C CB . MET A-3 1 53 . 74.523 -12.365 3.244 1 12.67 ? CB MET A-3 53 1 
ATOM 3177 C CG . MET A-3 1 53 . 73.779 -11.937 4.472 1 14.19 ? CG MET A-3 53 1 
ATOM 3178 S SD . MET A-3 1 53 . 74.683 -10.909 5.582 1 14.63 ? SD MET A-3 53 1 
ATOM 3179 C CE . MET A-3 1 53 . 74.557 -9.375 4.67 1 18.18 ? CE MET A-3 53 1 
ATOM 3180 H H . MET A-3 1 53 . 75.126 -13.21 0.941 1 14.29 ? H MET A-3 53 1 
ATOM 3181 H HA . MET A-3 1 53 . 73.264 -13.905 2.743 1 13.43 ? HA MET A-3 53 1 
ATOM 3182 H HB2 . MET A-3 1 53 . 75.275 -12.908 3.527 1 15.2 ? HB2 MET A-3 53 1 
ATOM 3183 H HB3 . MET A-3 1 53 . 74.843 -11.565 2.798 1 15.2 ? HB3 MET A-3 53 1 
ATOM 3184 H HG2 . MET A-3 1 53 . 72.989 -11.445 4.198 1 17.02 ? HG2 MET A-3 53 1 
ATOM 3185 H HG3 . MET A-3 1 53 . 73.513 -12.73 4.962 1 17.02 ? HG3 MET A-3 53 1 
ATOM 3186 H HE1 . MET A-3 1 53 . 74.964 -9.492 3.797 1 21.81 ? HE1 MET A-3 53 1 
ATOM 3187 H HE2 . MET A-3 1 53 . 73.62 -9.143 4.57 1 21.81 ? HE2 MET A-3 53 1 
ATOM 3188 H HE3 . MET A-3 1 53 . 75.019 -8.677 5.161 1 21.81 ? HE3 MET A-3 53 1 
ATOM 3189 N N . VAL A-3 1 54 . 71.345 -12.725 1.827 1 10.52 ? N VAL A-3 54 1 
ATOM 3190 C CA . VAL A-3 1 54 . 70.191 -12.068 1.242 1 10.41 ? CA VAL A-3 54 1 
ATOM 3191 C C . VAL A-3 1 54 . 69.478 -11.282 2.349 1 9.87 ? C VAL A-3 54 1 
ATOM 3192 O O . VAL A-3 1 54 . 69.065 -11.874 3.357 1 10.81 ? O VAL A-3 54 1 
ATOM 3193 C CB . VAL A-3 1 54 . 69.229 -13.072 0.615 1 11.32 ? CB VAL A-3 54 1 
ATOM 3194 C CG1 . VAL A-3 1 54 . 68.141 -12.338 -0.154 1 11.79 ? CG1 VAL A-3 54 1 
ATOM 3195 C CG2 . VAL A-3 1 54 . 69.965 -14.08 -0.282 1 12.8 ? CG2 VAL A-3 54 1 
ATOM 3196 H H . VAL A-3 1 54 . 71.132 -13.411 2.3 1 12.63 ? H VAL A-3 54 1 
ATOM 3197 H HA . VAL A-3 1 54 . 70.481 -11.446 0.557 1 12.49 ? HA VAL A-3 54 1 
ATOM 3198 H HB . VAL A-3 1 54 . 68.798 -13.572 1.326 1 13.59 ? HB VAL A-3 54 1 
ATOM 3199 H HG11 . VAL A-3 1 54 . 67.538 -12.989 -0.546 1 14.15 ? HG11 VAL A-3 54 1 
ATOM 3200 H HG12 . VAL A-3 1 54 . 67.656 -11.763 0.458 1 14.15 ? HG12 VAL A-3 54 1 
ATOM 3201 H HG13 . VAL A-3 1 54 . 68.554 -11.805 -0.852 1 14.15 ? HG13 VAL A-3 54 1 
ATOM 3202 H HG21 . VAL A-3 1 54 . 70.912 -13.876 -0.274 1 15.36 ? HG21 VAL A-3 54 1 
ATOM 3203 H HG22 . VAL A-3 1 54 . 69.815 -14.975 0.06 1 15.36 ? HG22 VAL A-3 54 1 
ATOM 3204 H HG23 . VAL A-3 1 54 . 69.618 -14.009 -1.186 1 15.36 ? HG23 VAL A-3 54 1 
ATOM 3205 N N . TYR A-3 1 55 . 69.294 -9.991 2.168 1 9.77 ? N TYR A-3 55 1 
ATOM 3206 C CA . TYR A-3 1 55 . 68.511 -9.23 3.12 1 9.91 ? CA TYR A-3 55 1 
ATOM 3207 C C . TYR A-3 1 55 . 67.03 -9.523 2.94 1 9.35 ? C TYR A-3 55 1 
ATOM 3208 O O . TYR A-3 1 55 . 66.49 -9.422 1.839 1 10.14 ? O TYR A-3 55 1 
ATOM 3209 C CB . TYR A-3 1 55 . 68.763 -7.714 2.988 1 10.52 ? CB TYR A-3 55 1 
ATOM 3210 C CG . TYR A-3 1 55 . 70.055 -7.291 3.63 1 10.51 ? CG TYR A-3 55 1 
ATOM 3211 C CD1 . TYR A-3 1 55 . 70.088 -7.063 4.997 1 11.17 ? CD1 TYR A-3 55 1 
ATOM 3212 C CD2 . TYR A-3 1 55 . 71.203 -7.125 2.932 1 11.78 ? CD2 TYR A-3 55 1 
ATOM 3213 C CE1 . TYR A-3 1 55 . 71.272 -6.716 5.642 1 11.38 ? CE1 TYR A-3 55 1 
ATOM 3214 C CE2 . TYR A-3 1 55 . 72.388 -6.755 3.55 1 13.21 ? CE2 TYR A-3 55 1 
ATOM 3215 C CZ . TYR A-3 1 55 . 72.424 -6.567 4.921 1 11.74 ? CZ TYR A-3 55 1 
ATOM 3216 O OH . TYR A-3 1 55 . 73.629 -6.259 5.496 1 12.99 ? OH TYR A-3 55 1 
ATOM 3217 H H . TYR A-3 1 55 . 69.607 -9.534 1.511 1 11.72 ? H TYR A-3 55 1 
ATOM 3218 H HA . TYR A-3 1 55 . 68.761 -9.497 4.018 1 11.89 ? HA TYR A-3 55 1 
ATOM 3219 H HB2 . TYR A-3 1 55 . 68.804 -7.48 2.047 1 12.62 ? HB2 TYR A-3 55 1 
ATOM 3220 H HB3 . TYR A-3 1 55 . 68.04 -7.233 3.42 1 12.62 ? HB3 TYR A-3 55 1 
ATOM 3221 H HD1 . TYR A-3 1 55 . 69.314 -7.186 5.499 1 13.41 ? HD1 TYR A-3 55 1 
ATOM 3222 H HD2 . TYR A-3 1 55 . 71.199 -7.271 2.013 1 14.14 ? HD2 TYR A-3 55 1 
ATOM 3223 H HE1 . TYR A-3 1 55 . 71.281 -6.588 6.564 1 13.66 ? HE1 TYR A-3 55 1 
ATOM 3224 H HE2 . TYR A-3 1 55 . 73.167 -6.675 3.049 1 15.85 ? HE2 TYR A-3 55 1 
ATOM 3225 H HH . TYR A-3 1 55 . 74.224 -6.208 4.905 1 15.59 ? HH TYR A-3 55 1 
ATOM 3226 N N . LYS A-3 1 56 . 66.348 -9.835 4.034 1 9.85 ? N LYS A-3 56 1 
ATOM 3227 C CA . LYS A-3 1 56 . 64.902 -10.09 3.951 1 10.21 ? CA LYS A-3 56 1 
ATOM 3228 C C . LYS A-3 1 56 . 64.141 -8.945 3.355 1 10.14 ? C LYS A-3 56 1 
ATOM 3229 O O . LYS A-3 1 56 . 63.171 -9.168 2.648 1 10.4 ? O LYS A-3 56 1 
ATOM 3230 C CB . LYS A-3 1 56 . 64.354 -10.425 5.323 1 10.61 ? CB LYS A-3 56 1 
ATOM 3231 C CG . LYS A-3 1 56 . 64.796 -11.746 5.892 1 10.86 ? CG LYS A-3 56 1 
ATOM 3232 C CD . LYS A-3 1 56 . 64.195 -11.922 7.287 1 12.11 ? CD LYS A-3 56 1 
ATOM 3233 C CE . LYS A-3 1 56 . 64.629 -13.159 7.969 1 12.75 ? CE LYS A-3 56 1 
ATOM 3234 N NZ . LYS A-3 1 56 . 63.979 -13.232 9.306 1 13.6 ? NZ LYS A-3 56 1 
ATOM 3235 H H . LYS A-3 1 56 . 66.684 -9.907 4.823 1 11.83 ? H LYS A-3 56 1 
ATOM 3236 H HA . LYS A-3 1 56 . 64.759 -10.863 3.382 1 12.26 ? HA LYS A-3 56 1 
ATOM 3237 H HB2 . LYS A-3 1 56 . 64.635 -9.734 5.943 1 12.73 ? HB2 LYS A-3 56 1 
ATOM 3238 H HB3 . LYS A-3 1 56 . 63.385 -10.439 5.272 1 12.73 ? HB3 LYS A-3 56 1 
ATOM 3239 H HG2 . LYS A-3 1 56 . 64.479 -12.468 5.325 1 13.03 ? HG2 LYS A-3 56 1 
ATOM 3240 H HG3 . LYS A-3 1 56 . 65.762 -11.765 5.965 1 13.03 ? HG3 LYS A-3 56 1 
ATOM 3241 H HD2 . LYS A-3 1 56 . 64.461 -11.17 7.839 1 14.53 ? HD2 LYS A-3 56 1 
ATOM 3242 H HD3 . LYS A-3 1 56 . 63.229 -11.948 7.211 1 14.53 ? HD3 LYS A-3 56 1 
ATOM 3243 H HE2 . LYS A-3 1 56 . 64.359 -13.932 7.449 1 15.3 ? HE2 LYS A-3 56 1 
ATOM 3244 H HE3 . LYS A-3 1 56 . 65.591 -13.145 8.091 1 15.3 ? HE3 LYS A-3 56 1 
ATOM 3245 H HZ1 . LYS A-3 1 56 . 64.232 -13.974 9.727 1 16.32 ? HZ1 LYS A-3 56 1 
ATOM 3246 H HZ2 . LYS A-3 1 56 . 64.212 -12.527 9.796 1 16.32 ? HZ2 LYS A-3 56 1 
ATOM 3247 H HZ3 . LYS A-3 1 56 . 63.093 -13.241 9.213 1 16.32 ? HZ3 LYS A-3 56 1 
ATOM 3248 N N . HIS A-3 1 57 . 64.553 -7.692 3.62 1 10.56 ? N HIS A-3 57 1 
ATOM 3249 C CA . HIS A-3 1 57 . 63.838 -6.552 3.082 1 10.98 ? CA HIS A-3 57 1 
ATOM 3250 C C . HIS A-3 1 57 . 63.791 -6.58 1.543 1 11.29 ? C HIS A-3 57 1 
ATOM 3251 O O . HIS A-3 1 57 . 62.939 -5.89 0.953 1 12.96 ? O HIS A-3 57 1 
ATOM 3252 C CB . HIS A-3 1 57 . 64.403 -5.208 3.588 1 11.81 ? CB HIS A-3 57 1 
ATOM 3253 C CG . HIS A-3 1 57 . 65.846 -4.965 3.264 1 11.05 ? CG HIS A-3 57 1 
ATOM 3254 N ND1 . HIS A-3 1 57 . 66.777 -4.783 4.266 1 11.67 ? ND1 HIS A-3 57 1 
ATOM 3255 C CD2 . HIS A-3 1 57 . 66.49 -4.861 2.083 1 11.25 ? CD2 HIS A-3 57 1 
ATOM 3256 C CE1 . HIS A-3 1 57 . 67.929 -4.57 3.675 1 11.27 ? CE1 HIS A-3 57 1 
ATOM 3257 N NE2 . HIS A-3 1 57 . 67.783 -4.588 2.368 1 10.91 ? NE2 HIS A-3 57 1 
ATOM 3258 H H . HIS A-3 1 57 . 65.236 -7.492 4.103 1 12.67 ? H HIS A-3 57 1 
ATOM 3259 H HA . HIS A-3 1 57 . 62.92 -6.604 3.392 1 13.18 ? HA HIS A-3 57 1 
ATOM 3260 H HB2 . HIS A-3 1 57 . 63.889 -4.488 3.191 1 14.17 ? HB2 HIS A-3 57 1 
ATOM 3261 H HB3 . HIS A-3 1 57 . 64.312 -5.179 4.553 1 14.17 ? HB3 HIS A-3 57 1 
ATOM 3262 H HD2 . HIS A-3 1 57 . 66.11 -4.925 1.237 1 13.5 ? HD2 HIS A-3 57 1 
ATOM 3263 H HE1 . HIS A-3 1 57 . 68.732 -4.416 4.118 1 13.52 ? HE1 HIS A-3 57 1 
ATOM 3264 H HE2 . HIS A-3 1 57 . 68.413 -4.49 1.792 1 13.1 ? HE2 HIS A-3 57 1 
ATOM 3265 N N . ALA A-3 1 58 . 64.702 -7.299 0.905 1 10.26 ? N ALA A-3 58 1 
ATOM 3266 C CA . ALA A-3 1 58 . 64.767 -7.407 -0.543 1 11.36 ? CA ALA A-3 58 1 
ATOM 3267 C C . ALA A-3 1 58 . 63.963 -8.598 -1.09 1 10.37 ? C ALA A-3 58 1 
ATOM 3268 O O . ALA A-3 1 58 . 63.897 -8.751 -2.287 1 12.76 ? O ALA A-3 58 1 
ATOM 3269 C CB . ALA A-3 1 58 . 66.19 -7.51 -1.013 1 12.21 ? CB ALA A-3 58 1 
ATOM 3270 H H . ALA A-3 1 58 . 65.314 -7.75 1.305 1 12.31 ? H ALA A-3 58 1 
ATOM 3271 H HA . ALA A-3 1 58 . 64.392 -6.6 -0.929 1 13.63 ? HA ALA A-3 58 1 
ATOM 3272 H HB1 . ALA A-3 1 58 . 66.595 -8.299 -0.619 1 14.65 ? HB1 ALA A-3 58 1 
ATOM 3273 H HB2 . ALA A-3 1 58 . 66.199 -7.581 -1.98 1 14.65 ? HB2 ALA A-3 58 1 
ATOM 3274 H HB3 . ALA A-3 1 58 . 66.673 -6.717 -0.734 1 14.65 ? HB3 ALA A-3 58 1 
ATOM 3275 N N . ILE A-3 1 59 . 63.442 -9.447 -0.209 1 10.15 ? N ILE A-3 59 1 
ATOM 3276 C CA . ILE A-3 1 59 . 62.758 -10.663 -0.608 1 10.05 ? CA ILE A-3 59 1 
ATOM 3277 C C . ILE A-3 1 59 . 61.255 -10.388 -0.736 1 9.78 ? C ILE A-3 59 1 
ATOM 3278 O O . ILE A-3 1 59 . 60.651 -9.789 0.139 1 10.92 ? O ILE A-3 59 1 
ATOM 3279 C CB . ILE A-3 1 59 . 62.996 -11.799 0.394 1 10.43 ? CB ILE A-3 59 1 
ATOM 3280 C CG1 . ILE A-3 1 59 . 64.475 -12.109 0.505 1 10.78 ? CG1 ILE A-3 59 1 
ATOM 3281 C CG2 . ILE A-3 1 59 . 62.184 -13.022 0.019 1 11.19 ? CG2 ILE A-3 59 1 
ATOM 3282 C CD1 . ILE A-3 1 59 . 64.836 -13.148 1.544 1 11.69 ? CD1 ILE A-3 59 1 
ATOM 3283 H H . ILE A-3 1 59 . 63.474 -9.335 0.643 1 12.18 ? H ILE A-3 59 1 
ATOM 3284 H HA . ILE A-3 1 59 . 63.091 -10.946 -1.474 1 12.06 ? HA ILE A-3 59 1 
ATOM 3285 H HB . ILE A-3 1 59 . 62.691 -11.496 1.263 1 12.52 ? HB ILE A-3 59 1 
ATOM 3286 H HG12 . ILE A-3 1 59 . 64.788 -12.434 -0.354 1 12.93 ? HG12 ILE A-3 59 1 
ATOM 3287 H HG13 . ILE A-3 1 59 . 64.945 -11.291 0.734 1 12.93 ? HG13 ILE A-3 59 1 
ATOM 3288 H HG21 . ILE A-3 1 59 . 61.242 -12.789 0.021 1 13.43 ? HG21 ILE A-3 59 1 
ATOM 3289 H HG22 . ILE A-3 1 59 . 62.449 -13.319 -0.866 1 13.43 ? HG22 ILE A-3 59 1 
ATOM 3290 H HG23 . ILE A-3 1 59 . 62.353 -13.724 0.668 1 13.43 ? HG23 ILE A-3 59 1 
ATOM 3291 H HD11 . ILE A-3 1 59 . 64.39 -13.98 1.325 1 14.03 ? HD11 ILE A-3 59 1 
ATOM 3292 H HD12 . ILE A-3 1 59 . 65.798 -13.276 1.539 1 14.03 ? HD12 ILE A-3 59 1 
ATOM 3293 H HD13 . ILE A-3 1 59 . 64.548 -12.836 2.415 1 14.03 ? HD13 ILE A-3 59 1 
ATOM 3294 N N . SER A-3 1 60 . 60.657 -10.894 -1.818 1 10.41 ? N SER A-3 60 1 
ATOM 3295 C CA A SER A-3 1 60 . 59.21 -10.914 -1.902 0.61 10.91 ? CA SER A-3 60 1 
ATOM 3296 C CA B SER A-3 1 60 . 59.209 -10.973 -1.993 0.39 11.11 ? CA SER A-3 60 1 
ATOM 3297 C C . SER A-3 1 60 . 58.639 -12.256 -1.406 1 10.65 ? C SER A-3 60 1 
ATOM 3298 O O . SER A-3 1 60 . 57.758 -12.222 -0.557 1 11.63 ? O SER A-3 60 1 
ATOM 3299 C CB A SER A-3 1 60 . 58.747 -10.607 -3.322 0.61 11.58 ? CB SER A-3 60 1 
ATOM 3300 C CB B SER A-3 1 60 . 58.839 -10.948 -3.469 0.39 15.38 ? CB SER A-3 60 1 
ATOM 3301 O OG A SER A-3 1 60 . 59.163 -11.641 -4.17 0.61 13.75 ? OG SER A-3 60 1 
ATOM 3302 O OG B SER A-3 1 60 . 59.043 -9.688 -4.028 0.39 19.4 ? OG SER A-3 60 1 
ATOM 3303 H H A SER A-3 1 60 . 61.064 -11.223 -2.501 0.61 12.49 ? H SER A-3 60 1 
ATOM 3304 H H B SER A-3 1 60 . 61.092 -11.21 -2.49 0.39 12.49 ? H SER A-3 60 1 
ATOM 3305 H HA A SER A-3 1 60 . 58.86 -10.218 -1.324 0.61 13.09 ? HA SER A-3 60 1 
ATOM 3306 H HA B SER A-3 1 60 . 58.787 -10.217 -1.555 0.39 13.33 ? HA SER A-3 60 1 
ATOM 3307 H HB2 A SER A-3 1 60 . 57.78 -10.544 -3.34 0.61 13.9 ? HB2 SER A-3 60 1 
ATOM 3308 H HB2 B SER A-3 1 60 . 59.389 -11.593 -3.941 0.39 18.46 ? HB2 SER A-3 60 1 
ATOM 3309 H HB3 A SER A-3 1 60 . 59.144 -9.771 -3.616 0.61 13.9 ? HB3 SER A-3 60 1 
ATOM 3310 H HB3 B SER A-3 1 60 . 57.902 -11.184 -3.561 0.39 18.46 ? HB3 SER A-3 60 1 
ATOM 3311 H HG A SER A-3 1 60 . 58.829 -12.369 -3.919 0.61 16.5 ? HG SER A-3 60 1 
ATOM 3312 H HG B SER A-3 1 60 . 58.571 -9.118 -3.63 0.39 23.28 ? HG SER A-3 60 1 
ATOM 3313 N N . THR A-3 1 61 . 59.117 -13.379 -1.934 1 11.45 ? N THR A-3 61 1 
ATOM 3314 C CA A THR A-3 1 61 . 58.569 -14.677 -1.596 0.57 11.52 ? CA THR A-3 61 1 
ATOM 3315 C CA B THR A-3 1 61 . 58.565 -14.642 -1.534 0.43 12.95 ? CA THR A-3 61 1 
ATOM 3316 C C . THR A-3 1 61 . 59.66 -15.708 -1.526 1 11.9 ? C THR A-3 61 1 
ATOM 3317 O O . THR A-3 1 61 . 60.685 -15.65 -2.209 1 13.99 ? O THR A-3 61 1 
ATOM 3318 C CB A THR A-3 1 61 . 57.572 -15.205 -2.637 0.57 13.95 ? CB THR A-3 61 1 
ATOM 3319 C CB B THR A-3 1 61 . 57.359 -14.957 -2.454 0.43 14.74 ? CB THR A-3 61 1 
ATOM 3320 O OG1 A THR A-3 1 61 . 58.276 -15.445 -3.852 0.57 19.51 ? OG1 THR A-3 61 1 
ATOM 3321 O OG1 B THR A-3 1 61 . 56.643 -16.118 -2.027 0.43 14.55 ? OG1 THR A-3 61 1 
ATOM 3322 C CG2 A THR A-3 1 61 . 56.443 -14.244 -2.868 0.57 13.93 ? CG2 THR A-3 61 1 
ATOM 3323 C CG2 B THR A-3 1 61 . 57.85 -15.112 -3.812 0.43 19.74 ? CG2 THR A-3 61 1 
ATOM 3324 H H A THR A-3 1 61 . 59.766 -13.41 -2.497 0.57 13.73 ? H THR A-3 61 1 
ATOM 3325 H H B THR A-3 1 61 . 59.749 -13.425 -2.515 0.43 13.73 ? H THR A-3 61 1 
ATOM 3326 H HA A THR A-3 1 61 . 58.127 -14.632 -0.734 0.57 13.82 ? HA THR A-3 61 1 
ATOM 3327 H HA B THR A-3 1 61 . 58.229 -14.562 -0.627 0.43 15.54 ? HA THR A-3 61 1 
ATOM 3328 H HB A THR A-3 1 61 . 57.195 -16.041 -2.318 0.57 16.74 ? HB THR A-3 61 1 
ATOM 3329 H HB B THR A-3 1 61 . 56.754 -14.198 -2.444 0.43 17.69 ? HB THR A-3 61 1 
ATOM 3330 H HG1 A THR A-3 1 61 . 58.624 -14.733 -4.128 0.57 23.41 ? HG1 THR A-3 61 1 
ATOM 3331 H HG1 B THR A-3 1 61 . 56.349 -16.004 -1.248 0.43 17.46 ? HG1 THR A-3 61 1 
ATOM 3332 H HG21 A THR A-3 1 61 . 55.96 -14.093 -2.04 0.57 16.72 ? HG21 THR A-3 61 1 
ATOM 3333 H HG21 B THR A-3 1 61 . 58.492 -15.838 -3.851 0.43 23.69 ? HG21 THR A-3 61 1 
ATOM 3334 H HG22 A THR A-3 1 61 . 56.79 -13.397 -3.189 0.57 16.72 ? HG22 THR A-3 61 1 
ATOM 3335 H HG22 B THR A-3 1 61 . 57.114 -15.31 -4.411 0.43 23.69 ? HG22 THR A-3 61 1 
ATOM 3336 H HG23 A THR A-3 1 61 . 55.831 -14.604 -3.529 0.57 16.72 ? HG23 THR A-3 61 1 
ATOM 3337 H HG23 B THR A-3 1 61 . 58.282 -14.294 -4.104 0.43 23.69 ? HG23 THR A-3 61 1 
ATOM 3338 N N . VAL A-3 1 62 . 59.438 -16.69 -0.652 1 12.18 ? N VAL A-3 62 1 
ATOM 3339 C CA . VAL A-3 1 62 . 60.256 -17.882 -0.517 1 12.02 ? CA VAL A-3 62 1 
ATOM 3340 C C . VAL A-3 1 62 . 59.385 -19.075 -0.902 1 12.58 ? C VAL A-3 62 1 
ATOM 3341 O O . VAL A-3 1 62 . 58.34 -19.301 -0.271 1 13.71 ? O VAL A-3 62 1 
ATOM 3342 C CB . VAL A-3 1 62 . 60.843 -18.02 0.891 1 13.06 ? CB VAL A-3 62 1 
ATOM 3343 C CG1 . VAL A-3 1 62 . 61.696 -19.321 1.019 1 15.06 ? CG1 VAL A-3 62 1 
ATOM 3344 C CG2 . VAL A-3 1 62 . 61.657 -16.799 1.294 1 14.86 ? CG2 VAL A-3 62 1 
ATOM 3345 H H . VAL A-3 1 62 . 58.78 -16.68 -0.099 1 14.62 ? H VAL A-3 62 1 
ATOM 3346 H HA . VAL A-3 1 62 . 60.993 -17.833 -1.145 1 14.42 ? HA VAL A-3 62 1 
ATOM 3347 H HB . VAL A-3 1 62 . 60.109 -18.094 1.519 1 15.67 ? HB VAL A-3 62 1 
ATOM 3348 H HG11 . VAL A-3 1 62 . 61.684 -19.792 0.171 1 18.08 ? HG11 VAL A-3 62 1 
ATOM 3349 H HG12 . VAL A-3 1 62 . 62.606 -19.08 1.252 1 18.08 ? HG12 VAL A-3 62 1 
ATOM 3350 H HG13 . VAL A-3 1 62 . 61.314 -19.881 1.713 1 18.08 ? HG13 VAL A-3 62 1 
ATOM 3351 H HG21 . VAL A-3 1 62 . 61.645 -16.158 0.567 1 17.83 ? HG21 VAL A-3 62 1 
ATOM 3352 H HG22 . VAL A-3 1 62 . 61.262 -16.406 2.089 1 17.83 ? HG22 VAL A-3 62 1 
ATOM 3353 H HG23 . VAL A-3 1 62 . 62.568 -17.075 1.478 1 17.83 ? HG23 VAL A-3 62 1 
ATOM 3354 N N . VAL A-3 1 63 . 59.784 -19.829 -1.925 1 13.42 ? N VAL A-3 63 1 
ATOM 3355 C CA . VAL A-3 1 63 . 58.993 -20.875 -2.515 1 14.03 ? CA VAL A-3 63 1 
ATOM 3356 C C . VAL A-3 1 63 . 59.762 -22.198 -2.423 1 13.78 ? C VAL A-3 63 1 
ATOM 3357 O O . VAL A-3 1 63 . 60.78 -22.358 -3.093 1 14.74 ? O VAL A-3 63 1 
ATOM 3358 C CB . VAL A-3 1 63 . 58.607 -20.577 -3.962 1 15.65 ? CB VAL A-3 63 1 
ATOM 3359 C CG1 . VAL A-3 1 63 . 57.676 -21.678 -4.498 1 18.46 ? CG1 VAL A-3 63 1 
ATOM 3360 C CG2 . VAL A-3 1 63 . 57.955 -19.218 -4.105 1 17.75 ? CG2 VAL A-3 63 1 
ATOM 3361 H H . VAL A-3 1 63 . 60.55 -19.738 -2.304 1 16.1 ? H VAL A-3 63 1 
ATOM 3362 H HA . VAL A-3 1 63 . 58.174 -20.973 -2.004 1 16.84 ? HA VAL A-3 63 1 
ATOM 3363 H HB . VAL A-3 1 63 . 59.41 -20.579 -4.505 1 18.78 ? HB VAL A-3 63 1 
ATOM 3364 H HG11 . VAL A-3 1 63 . 57.529 -22.335 -3.799 1 22.16 ? HG11 VAL A-3 63 1 
ATOM 3365 H HG12 . VAL A-3 1 63 . 56.832 -21.278 -4.759 1 22.16 ? HG12 VAL A-3 63 1 
ATOM 3366 H HG13 . VAL A-3 1 63 . 58.095 -22.099 -5.265 1 22.16 ? HG13 VAL A-3 63 1 
ATOM 3367 H HG21 . VAL A-3 1 63 . 57.91 -18.796 -3.233 1 21.3 ? HG21 VAL A-3 63 1 
ATOM 3368 H HG22 . VAL A-3 1 63 . 58.485 -18.676 -4.709 1 21.3 ? HG22 VAL A-3 63 1 
ATOM 3369 H HG23 . VAL A-3 1 63 . 57.061 -19.334 -4.463 1 21.3 ? HG23 VAL A-3 63 1 
ATOM 3370 N N A PRO A-3 1 64 . 59.323 -23.15 -1.593 0.4 14.41 ? N PRO A-3 64 1 
ATOM 3371 N N B PRO A-3 1 64 . 59.32 -23.142 -1.597 0.6 14.29 ? N PRO A-3 64 1 
ATOM 3372 C CA A PRO A-3 1 64 . 60.064 -24.408 -1.595 0.4 16.01 ? CA PRO A-3 64 1 
ATOM 3373 C CA B PRO A-3 1 64 . 59.953 -24.447 -1.505 0.6 13.64 ? CA PRO A-3 64 1 
ATOM 3374 C C A PRO A-3 1 64 . 59.838 -25.177 -2.872 0.4 17.1 ? C PRO A-3 64 1 
ATOM 3375 C C B PRO A-3 1 64 . 59.786 -25.217 -2.813 0.6 12.57 ? C PRO A-3 64 1 
ATOM 3376 O O A PRO A-3 1 64 . 58.846 -25.021 -3.554 0.4 20.68 ? O PRO A-3 64 1 
ATOM 3377 O O B PRO A-3 1 64 . 58.726 -25.125 -3.444 0.6 13.17 ? O PRO A-3 64 1 
ATOM 3378 C CB A PRO A-3 1 64 . 59.475 -25.171 -0.417 0.4 18.1 ? CB PRO A-3 64 1 
ATOM 3379 C CB B PRO A-3 1 64 . 59.134 -25.107 -0.377 0.6 15.69 ? CB PRO A-3 64 1 
ATOM 3380 C CG A PRO A-3 1 64 . 58.078 -24.637 -0.298 0.4 17.92 ? CG PRO A-3 64 1 
ATOM 3381 C CG B PRO A-3 1 64 . 58.498 -23.97 0.385 0.6 15.77 ? CG PRO A-3 64 1 
ATOM 3382 C CD A PRO A-3 1 64 . 58.162 -23.185 -0.685 0.4 15.84 ? CD PRO A-3 64 1 
ATOM 3383 C CD B PRO A-3 1 64 . 58.184 -23.005 -0.662 0.6 15.97 ? CD PRO A-3 64 1 
ATOM 3384 H HA A PRO A-3 1 64 . 61.012 -24.258 -1.456 0.4 19.21 ? HA PRO A-3 64 1 
ATOM 3385 H HA B PRO A-3 1 64 . 60.887 -24.378 -1.258 0.6 16.37 ? HA PRO A-3 64 1 
ATOM 3386 H HB2 A PRO A-3 1 64 . 59.466 -26.121 -0.61 0.4 21.72 ? HB2 PRO A-3 64 1 
ATOM 3387 H HB2 B PRO A-3 1 64 . 58.454 -25.682 -0.762 0.6 18.82 ? HB2 PRO A-3 64 1 
ATOM 3388 H HB3 A PRO A-3 1 64 . 59.986 -24.984 0.385 0.4 21.72 ? HB3 PRO A-3 64 1 
ATOM 3389 H HB3 B PRO A-3 1 64 . 59.725 -25.614 0.199 0.6 18.82 ? HB3 PRO A-3 64 1 
ATOM 3390 H HG2 A PRO A-3 1 64 . 57.494 -25.118 -0.904 0.4 21.51 ? HG2 PRO A-3 64 1 
ATOM 3391 H HG2 B PRO A-3 1 64 . 57.691 -24.278 0.828 0.6 18.93 ? HG2 PRO A-3 64 1 
ATOM 3392 H HG3 A PRO A-3 1 64 . 57.771 -24.729 0.618 0.4 21.51 ? HG3 PRO A-3 64 1 
ATOM 3393 H HG3 B PRO A-3 1 64 . 59.129 -23.601 1.022 0.6 18.93 ? HG3 PRO A-3 64 1 
ATOM 3394 H HD2 A PRO A-3 1 64 . 57.358 -22.911 -1.152 0.4 19.01 ? HD2 PRO A-3 64 1 
ATOM 3395 H HD2 B PRO A-3 1 64 . 57.353 -23.241 -1.103 0.6 19.17 ? HD2 PRO A-3 64 1 
ATOM 3396 H HD3 A PRO A-3 1 64 . 58.326 -22.634 0.097 0.4 19.01 ? HD3 PRO A-3 64 1 
ATOM 3397 H HD3 B PRO A-3 1 64 . 58.153 -22.107 -0.297 0.6 19.17 ? HD3 PRO A-3 64 1 
ATOM 3398 N N . SER A-3 1 65 . 60.796 -26.024 -3.178 1 14.69 ? N SER A-3 65 1 
ATOM 3399 C CA . SER A-3 1 65 . 60.68 -26.865 -4.357 1 15.84 ? CA SER A-3 65 1 
ATOM 3400 C C . SER A-3 1 65 . 59.727 -28.041 -4.155 1 16.17 ? C SER A-3 65 1 
ATOM 3401 O O . SER A-3 1 65 . 59.324 -28.643 -5.161 1 18.72 ? O SER A-3 65 1 
ATOM 3402 C CB . SER A-3 1 65 . 62.057 -27.338 -4.805 1 17.43 ? CB SER A-3 65 1 
ATOM 3403 O OG . SER A-3 1 65 . 62.616 -28.123 -3.779 1 18.35 ? OG SER A-3 65 1 
ATOM 3404 H H A SER A-3 1 65 . 61.519 -26.135 -2.726 0.4 17.63 ? H SER A-3 65 1 
ATOM 3405 H H B SER A-3 1 65 . 61.544 -26.096 -2.759 0.6 17.63 ? H SER A-3 65 1 
ATOM 3406 H HA . SER A-3 1 65 . 60.316 -26.325 -5.076 1 19.01 ? HA SER A-3 65 1 
ATOM 3407 H HB2 . SER A-3 1 65 . 61.968 -27.873 -5.61 1 20.92 ? HB2 SER A-3 65 1 
ATOM 3408 H HB3 . SER A-3 1 65 . 62.625 -26.569 -4.97 1 20.92 ? HB3 SER A-3 65 1 
ATOM 3409 H HG . SER A-3 1 65 . 63.377 -28.395 -4.007 1 22.02 ? HG SER A-3 65 1 
ATOM 3410 N N . ARG A-3 1 66 . 59.424 -28.376 -2.902 1 16.03 ? N ARG A-3 66 1 
ATOM 3411 C CA . ARG A-3 1 66 . 58.464 -29.439 -2.615 1 17.06 ? CA ARG A-3 66 1 
ATOM 3412 C C . ARG A-3 1 66 . 57.862 -29.1 -1.278 1 16.58 ? C ARG A-3 66 1 
ATOM 3413 O O . ARG A-3 1 66 . 58.44 -28.289 -0.522 1 16.99 ? O ARG A-3 66 1 
ATOM 3414 C CB . ARG A-3 1 66 . 59.114 -30.82 -2.616 1 18.77 ? CB ARG A-3 66 1 
ATOM 3415 C CG . ARG A-3 1 66 . 60.333 -30.964 -1.775 1 21 ? CG ARG A-3 66 1 
ATOM 3416 C CD . ARG A-3 1 66 . 60.115 -31.302 -0.354 1 24.98 ? CD ARG A-3 66 1 
ATOM 3417 N NE . ARG A-3 1 66 . 61.279 -31.883 0.346 1 25.02 ? NE ARG A-3 66 1 
ATOM 3418 C CZ . ARG A-3 1 66 . 61.222 -32.246 1.622 1 23.19 ? CZ ARG A-3 66 1 
ATOM 3419 N NH1 . ARG A-3 1 66 . 60.045 -32.158 2.29 1 23.76 ? NH1 ARG A-3 66 1 
ATOM 3420 N NH2 . ARG A-3 1 66 . 62.3 -32.713 2.214 1 26.1 ? NH2 ARG A-3 66 1 
ATOM 3421 H H . ARG A-3 1 66 . 59.759 -28.003 -2.203 1 19.23 ? H ARG A-3 66 1 
ATOM 3422 H HA . ARG A-3 1 66 . 57.759 -29.429 -3.281 1 20.47 ? HA ARG A-3 66 1 
ATOM 3423 H HB2 . ARG A-3 1 66 . 58.463 -31.464 -2.296 1 22.53 ? HB2 ARG A-3 66 1 
ATOM 3424 H HB3 . ARG A-3 1 66 . 59.363 -31.039 -3.528 1 22.53 ? HB3 ARG A-3 66 1 
ATOM 3425 H HG2 . ARG A-3 1 66 . 60.884 -31.666 -2.157 1 25.2 ? HG2 ARG A-3 66 1 
ATOM 3426 H HG3 . ARG A-3 1 66 . 60.819 -30.126 -1.8 1 25.2 ? HG3 ARG A-3 66 1 
ATOM 3427 H HD2 . ARG A-3 1 66 . 59.864 -30.494 0.119 1 29.97 ? HD2 ARG A-3 66 1 
ATOM 3428 H HD3 . ARG A-3 1 66 . 59.391 -31.946 -0.3 1 29.97 ? HD3 ARG A-3 66 1 
ATOM 3429 H HE . ARG A-3 1 66 . 61.922 -32.196 -0.133 1 30.03 ? HE ARG A-3 66 1 
ATOM 3430 H HH11 . ARG A-3 1 66 . 59.35 -31.84 1.897 1 28.51 ? HH11 ARG A-3 66 1 
ATOM 3431 H HH12 . ARG A-3 1 66 . 59.999 -32.402 3.114 1 28.51 ? HH12 ARG A-3 66 1 
ATOM 3432 H HH21 . ARG A-3 1 66 . 63.037 -32.781 1.775 1 31.32 ? HH21 ARG A-3 66 1 
ATOM 3433 H HH22 . ARG A-3 1 66 . 62.262 -32.977 3.032 1 31.32 ? HH22 ARG A-3 66 1 
ATOM 3434 N N . PRO A-3 1 67 . 56.716 -29.684 -0.928 1 18.26 ? N PRO A-3 67 1 
ATOM 3435 C CA . PRO A-3 1 67 . 56.087 -29.352 0.351 1 18.44 ? CA PRO A-3 67 1 
ATOM 3436 C C . PRO A-3 1 67 . 56.959 -29.77 1.519 1 18.03 ? C PRO A-3 67 1 
ATOM 3437 O O . PRO A-3 1 67 . 57.665 -30.762 1.441 1 18.98 ? O PRO A-3 67 1 
ATOM 3438 C CB . PRO A-3 1 67 . 54.776 -30.177 0.313 1 20.51 ? CB PRO A-3 67 1 
ATOM 3439 C CG . PRO A-3 1 67 . 54.488 -30.365 -1.134 1 20.52 ? CG PRO A-3 67 1 
ATOM 3440 C CD . PRO A-3 1 67 . 55.867 -30.547 -1.76 1 19.37 ? CD PRO A-3 67 1 
ATOM 3441 H HA . PRO A-3 1 67 . 55.885 -28.405 0.406 1 22.12 ? HA PRO A-3 67 1 
ATOM 3442 H HB2 . PRO A-3 1 67 . 54.913 -31.031 0.751 1 24.62 ? HB2 PRO A-3 67 1 
ATOM 3443 H HB3 . PRO A-3 1 67 . 54.063 -29.679 0.744 1 24.62 ? HB3 PRO A-3 67 1 
ATOM 3444 H HG2 . PRO A-3 1 67 . 53.942 -31.156 -1.262 1 24.62 ? HG2 PRO A-3 67 1 
ATOM 3445 H HG3 . PRO A-3 1 67 . 54.047 -29.577 -1.489 1 24.62 ? HG3 PRO A-3 67 1 
ATOM 3446 H HD2 . PRO A-3 1 67 . 56.152 -31.471 -1.691 1 23.24 ? HD2 PRO A-3 67 1 
ATOM 3447 H HD3 . PRO A-3 1 67 . 55.867 -30.24 -2.68 1 23.24 ? HD3 PRO A-3 67 1 
ATOM 3448 N N . VAL A-3 1 68 . 56.857 -29.032 2.616 1 19.92 ? N VAL A-3 68 1 
ATOM 3449 C CA A VAL A-3 1 68 . 57.653 -29.278 3.81 0.69 20.3 ? CA VAL A-3 68 1 
ATOM 3450 C CA B VAL A-3 1 68 . 57.649 -29.317 3.8 0.31 22.7 ? CA VAL A-3 68 1 
ATOM 3451 C C . VAL A-3 1 68 . 56.784 -29.225 5.04 1 20.4 ? C VAL A-3 68 1 
ATOM 3452 O O . VAL A-3 1 68 . 55.888 -28.386 5.129 1 22.58 ? O VAL A-3 68 1 
ATOM 3453 C CB A VAL A-3 1 68 . 58.848 -28.273 3.911 0.69 22.01 ? CB VAL A-3 68 1 
ATOM 3454 C CB B VAL A-3 1 68 . 58.839 -28.341 3.921 0.31 27.12 ? CB VAL A-3 68 1 
ATOM 3455 C CG1 A VAL A-3 1 68 . 58.373 -26.879 4.307 0.69 23.66 ? CG1 VAL A-3 68 1 
ATOM 3456 C CG1 B VAL A-3 1 68 . 59.822 -28.831 4.972 0.31 30.01 ? CG1 VAL A-3 68 1 
ATOM 3457 C CG2 A VAL A-3 1 68 . 59.926 -28.796 4.868 0.69 26.25 ? CG2 VAL A-3 68 1 
ATOM 3458 C CG2 B VAL A-3 1 68 . 59.535 -28.192 2.572 0.31 27.34 ? CG2 VAL A-3 68 1 
ATOM 3459 H H A VAL A-3 1 68 . 56.318 -28.366 2.695 0.69 23.9 ? H VAL A-3 68 1 
ATOM 3460 H H B VAL A-3 1 68 . 56.332 -28.356 2.699 0.31 23.9 ? H VAL A-3 68 1 
ATOM 3461 H HA A VAL A-3 1 68 . 58.026 -30.171 3.753 0.69 24.36 ? HA VAL A-3 68 1 
ATOM 3462 H HA B VAL A-3 1 68 . 58 -30.219 3.74 0.31 27.24 ? HA VAL A-3 68 1 
ATOM 3463 H HB A VAL A-3 1 68 . 59.256 -28.199 3.034 0.69 26.41 ? HB VAL A-3 68 1 
ATOM 3464 H HB B VAL A-3 1 68 . 58.513 -27.468 4.193 0.31 32.55 ? HB VAL A-3 68 1 
ATOM 3465 H HG11 A VAL A-3 1 68 . 57.409 -26.894 4.418 0.69 28.39 ? HG11 VAL A-3 68 1 
ATOM 3466 H HG11 B VAL A-3 1 68 . 60.56 -28.203 5.031 0.31 36.01 ? HG11 VAL A-3 68 1 
ATOM 3467 H HG12 A VAL A-3 1 68 . 58.799 -26.625 5.141 0.69 28.39 ? HG12 VAL A-3 68 1 
ATOM 3468 H HG12 B VAL A-3 1 68 . 59.367 -28.888 5.827 0.31 36.01 ? HG12 VAL A-3 68 1 
ATOM 3469 H HG13 A VAL A-3 1 68 . 58.615 -26.253 3.607 0.69 28.39 ? HG13 VAL A-3 68 1 
ATOM 3470 H HG13 B VAL A-3 1 68 . 60.15 -29.706 4.713 0.31 36.01 ? HG13 VAL A-3 68 1 
ATOM 3471 H HG21 A VAL A-3 1 68 . 59.645 -29.654 5.222 0.69 31.5 ? HG21 VAL A-3 68 1 
ATOM 3472 H HG21 B VAL A-3 1 68 . 60.28 -27.576 2.667 0.31 32.81 ? HG21 VAL A-3 68 1 
ATOM 3473 H HG22 A VAL A-3 1 68 . 60.76 -28.895 4.381 0.69 31.5 ? HG22 VAL A-3 68 1 
ATOM 3474 H HG22 B VAL A-3 1 68 . 59.859 -29.061 2.286 0.31 32.81 ? HG22 VAL A-3 68 1 
ATOM 3475 H HG23 A VAL A-3 1 68 . 60.04 -28.161 5.593 0.69 31.5 ? HG23 VAL A-3 68 1 
ATOM 3476 H HG23 B VAL A-3 1 68 . 58.9 -27.846 1.926 0.31 32.81 ? HG23 VAL A-3 68 1 
ATOM 3477 N N . SER A-3 1 69 . 57.066 -30.098 5.993 1 22.28 ? N SER A-3 69 1 
ATOM 3478 C CA A SER A-3 1 69 . 56.407 -30.083 7.293 0.74 25.23 ? CA SER A-3 69 1 
ATOM 3479 C CA B SER A-3 1 69 . 56.385 -30.078 7.278 0.26 25.57 ? CA SER A-3 69 1 
ATOM 3480 C C . SER A-3 1 69 . 56.69 -28.787 8.009 1 28.28 ? C SER A-3 69 1 
ATOM 3481 O O . SER A-3 1 69 . 57.876 -28.387 8.143 1 29.46 ? O SER A-3 69 1 
ATOM 3482 C CB A SER A-3 1 69 . 56.91 -31.261 8.12 0.74 27.46 ? CB SER A-3 69 1 
ATOM 3483 C CB B SER A-3 1 69 . 56.814 -31.266 8.13 0.26 27.57 ? CB SER A-3 69 1 
ATOM 3484 O OG A SER A-3 1 69 . 56.296 -31.28 9.4 0.74 29.62 ? OG SER A-3 69 1 
ATOM 3485 O OG B SER A-3 1 69 . 58.179 -31.168 8.493 0.26 29.93 ? OG SER A-3 69 1 
ATOM 3486 H H A SER A-3 1 69 . 57.65 -30.724 5.911 0.74 26.74 ? H SER A-3 69 1 
ATOM 3487 H H B SER A-3 1 69 . 57.656 -30.72 5.921 0.26 26.74 ? H SER A-3 69 1 
ATOM 3488 H HA A SER A-3 1 69 . 55.449 -30.172 7.175 0.74 30.27 ? HA SER A-3 69 1 
ATOM 3489 H HA B SER A-3 1 69 . 55.427 -30.131 7.136 0.26 30.69 ? HA SER A-3 69 1 
ATOM 3490 H HB2 A SER A-3 1 69 . 56.698 -32.087 7.656 0.74 32.96 ? HB2 SER A-3 69 1 
ATOM 3491 H HB2 B SER A-3 1 69 . 56.275 -31.287 8.937 0.26 33.09 ? HB2 SER A-3 69 1 
ATOM 3492 H HB3 A SER A-3 1 69 . 57.87 -31.182 8.231 0.74 32.96 ? HB3 SER A-3 69 1 
ATOM 3493 H HB3 B SER A-3 1 69 . 56.682 -32.082 7.623 0.26 33.09 ? HB3 SER A-3 69 1 
ATOM 3494 H HG A SER A-3 1 69 . 55.463 -31.349 9.318 0.74 35.54 ? HG SER A-3 69 1 
ATOM 3495 H HG B SER A-3 1 69 . 58.401 -31.829 8.961 0.26 35.92 ? HG SER A-3 69 1 
ATOM 3496 N N . HIS A-3 1 70 . 55.631 -28.099 8.443 1 40.25 ? N HIS A-3 70 1 
ATOM 3497 C CA . HIS A-3 1 70 . 55.777 -26.857 9.213 1 58.65 ? CA HIS A-3 70 1 
ATOM 3498 C C . HIS A-3 1 70 . 54.507 -26.522 9.983 1 92.95 ? C HIS A-3 70 1 
ATOM 3499 O O . HIS A-3 1 70 . 53.473 -27.161 9.796 1 119.89 ? O HIS A-3 70 1 
ATOM 3500 C CB . HIS A-3 1 70 . 56.145 -25.681 8.303 1 43.68 ? CB HIS A-3 70 1 
ATOM 3501 C CG . HIS A-3 1 70 . 55.084 -25.328 7.308 1 35.21 ? CG HIS A-3 70 1 
ATOM 3502 N ND1 . HIS A-3 1 70 . 54.927 -26.005 6.111 1 34.11 ? ND1 HIS A-3 70 1 
ATOM 3503 C CD2 . HIS A-3 1 70 . 54.157 -24.333 7.313 1 34.6 ? CD2 HIS A-3 70 1 
ATOM 3504 C CE1 . HIS A-3 1 70 . 53.929 -25.454 5.436 1 33.47 ? CE1 HIS A-3 70 1 
ATOM 3505 N NE2 . HIS A-3 1 70 . 53.453 -24.434 6.139 1 35.17 ? NE2 HIS A-3 70 1 
ATOM 3506 H H . HIS A-3 1 70 . 54.814 -28.331 8.305 1 48.3 ? H HIS A-3 70 1 
ATOM 3507 H HA . HIS A-3 1 70 . 56.494 -26.969 9.856 1 70.38 ? HA HIS A-3 70 1 
ATOM 3508 H HB2 . HIS A-3 1 70 . 56.307 -24.898 8.853 1 52.41 ? HB2 HIS A-3 70 1 
ATOM 3509 H HB3 . HIS A-3 1 70 . 56.95 -25.908 7.81 1 52.41 ? HB3 HIS A-3 70 1 
ATOM 3510 H HD1 . HIS A-3 1 70 . 55.392 -26.68 5.854 1 40.93 ? HD1 HIS A-3 70 1 
ATOM 3511 H HD2 . HIS A-3 1 70 . 54.024 -23.705 7.986 1 41.52 ? HD2 HIS A-3 70 1 
ATOM 3512 H HE1 . HIS A-3 1 70 . 53.621 -25.73 4.604 1 40.16 ? HE1 HIS A-3 70 1 
ATOM 3513 H HE2 . HIS A-3 1 70 . 52.799 -23.927 5.903 1 42.21 ? HE2 HIS A-3 70 1 
ATOM 3514 N N . SER A-4 1 6 . 44.832 -3.952 14.384 1 42.4 ? N SER A-4 6 1 
ATOM 3515 C CA . SER A-4 1 6 . 43.458 -3.877 14.868 1 38.11 ? CA SER A-4 6 1 
ATOM 3516 C C . SER A-4 1 6 . 42.462 -4.202 13.75 1 27.53 ? C SER A-4 6 1 
ATOM 3517 O O . SER A-4 1 6 . 41.344 -4.663 14.041 1 30.47 ? O SER A-4 6 1 
ATOM 3518 C CB . SER A-4 1 6 . 43.156 -2.49 15.443 1 44.85 ? CB SER A-4 6 1 
ATOM 3519 O OG . SER A-4 1 6 . 41.768 -2.362 15.701 1 49.08 ? OG SER A-4 6 1 
ATOM 3520 H HA . SER A-4 1 6 . 43.337 -4.529 15.577 1 45.73 ? HA SER A-4 6 1 
ATOM 3521 H HB2 . SER A-4 1 6 . 43.646 -2.376 16.273 1 53.82 ? HB2 SER A-4 6 1 
ATOM 3522 H HB3 . SER A-4 1 6 . 43.424 -1.814 14.801 1 53.82 ? HB3 SER A-4 6 1 
ATOM 3523 H HG . SER A-4 1 6 . 41.524 -2.945 16.254 1 58.9 ? HG SER A-4 6 1 
ATOM 3524 N N . LEU A-4 1 7 . 42.821 -3.868 12.522 1 20.91 ? N LEU A-4 7 1 
ATOM 3525 C CA . LEU A-4 1 7 . 42.013 -4.248 11.376 1 17.82 ? CA LEU A-4 7 1 
ATOM 3526 C C . LEU A-4 1 7 . 42.675 -5.313 10.553 1 15.24 ? C LEU A-4 7 1 
ATOM 3527 O O . LEU A-4 1 7 . 42.023 -6.246 10.059 1 15.55 ? O LEU A-4 7 1 
ATOM 3528 C CB . LEU A-4 1 7 . 41.819 -2.981 10.575 1 21.87 ? CB LEU A-4 7 1 
ATOM 3529 C CG . LEU A-4 1 7 . 41.16 -3.008 9.249 1 32.23 ? CG LEU A-4 7 1 
ATOM 3530 C CD1 . LEU A-4 1 7 . 39.747 -3.522 9.47 1 37.58 ? CD1 LEU A-4 7 1 
ATOM 3531 C CD2 . LEU A-4 1 7 . 41.174 -1.55 8.797 1 35.21 ? CD2 LEU A-4 7 1 
ATOM 3532 H H . LEU A-4 1 7 . 43.529 -3.421 12.324 1 25.1 ? H LEU A-4 7 1 
ATOM 3533 H HA . LEU A-4 1 7 . 41.148 -4.569 11.673 1 21.38 ? HA LEU A-4 7 1 
ATOM 3534 H HB2 . LEU A-4 1 7 . 41.3 -2.372 11.123 1 26.25 ? HB2 LEU A-4 7 1 
ATOM 3535 H HB3 . LEU A-4 1 7 . 42.698 -2.595 10.433 1 26.25 ? HB3 LEU A-4 7 1 
ATOM 3536 H HG . LEU A-4 1 7 . 41.64 -3.57 8.621 1 38.68 ? HG LEU A-4 7 1 
ATOM 3537 H HD11 . LEU A-4 1 7 . 39.792 -4.412 9.854 1 45.1 ? HD11 LEU A-4 7 1 
ATOM 3538 H HD12 . LEU A-4 1 7 . 39.285 -2.922 10.076 1 45.1 ? HD12 LEU A-4 7 1 
ATOM 3539 H HD13 . LEU A-4 1 7 . 39.286 -3.552 8.618 1 45.1 ? HD13 LEU A-4 7 1 
ATOM 3540 H HD21 . LEU A-4 1 7 . 40.684 -1.015 9.441 1 42.25 ? HD21 LEU A-4 7 1 
ATOM 3541 H HD22 . LEU A-4 1 7 . 42.093 -1.245 8.744 1 42.25 ? HD22 LEU A-4 7 1 
ATOM 3542 H HD23 . LEU A-4 1 7 . 40.754 -1.486 7.925 1 42.25 ? HD23 LEU A-4 7 1 
ATOM 3543 N N . GLN A-4 1 8 . 43.984 -5.251 10.413 1 14.65 ? N GLN A-4 8 1 
ATOM 3544 C CA . GLN A-4 1 8 . 44.708 -6.182 9.586 1 13.73 ? CA GLN A-4 8 1 
ATOM 3545 C C . GLN A-4 1 8 . 44.51 -7.635 10.077 1 13.27 ? C GLN A-4 8 1 
ATOM 3546 O O . GLN A-4 1 8 . 44.257 -8.525 9.3 1 13.98 ? O GLN A-4 8 1 
ATOM 3547 C CB . GLN A-4 1 8 . 46.194 -5.823 9.619 1 13.51 ? CB GLN A-4 8 1 
ATOM 3548 C CG . GLN A-4 1 8 . 47.005 -6.763 8.747 1 13.39 ? CG GLN A-4 8 1 
ATOM 3549 C CD . GLN A-4 1 8 . 48.511 -6.592 8.828 1 13.61 ? CD GLN A-4 8 1 
ATOM 3550 O OE1 . GLN A-4 1 8 . 49.232 -7.365 8.181 1 13.58 ? OE1 GLN A-4 8 1 
ATOM 3551 N NE2 . GLN A-4 1 8 . 48.995 -5.614 9.561 1 14.77 ? NE2 GLN A-4 8 1 
ATOM 3552 H H . GLN A-4 1 8 . 44.483 -4.665 10.796 1 17.59 ? H GLN A-4 8 1 
ATOM 3553 H HA . GLN A-4 1 8 . 44.394 -6.118 8.67 1 16.47 ? HA GLN A-4 8 1 
ATOM 3554 H HB2 . GLN A-4 1 8 . 46.314 -4.92 9.287 1 16.22 ? HB2 GLN A-4 8 1 
ATOM 3555 H HB3 . GLN A-4 1 8 . 46.52 -5.894 10.53 1 16.22 ? HB3 GLN A-4 8 1 
ATOM 3556 H HG2 . GLN A-4 1 8 . 46.802 -7.675 9.008 1 16.06 ? HG2 GLN A-4 8 1 
ATOM 3557 H HG3 . GLN A-4 1 8 . 46.745 -6.625 7.823 1 16.06 ? HG3 GLN A-4 8 1 
ATOM 3558 H HE21 . GLN A-4 1 8 . 49.846 -5.501 9.619 1 17.72 ? HE21 GLN A-4 8 1 
ATOM 3559 H HE22 . GLN A-4 1 8 . 48.461 -5.088 9.982 1 17.72 ? HE22 GLN A-4 8 1 
ATOM 3560 N N . ASP A-4 1 9 . 44.725 -7.856 11.364 1 14.81 ? N ASP A-4 9 1 
ATOM 3561 C CA . ASP A-4 1 9 . 44.638 -9.209 11.898 1 16.02 ? CA ASP A-4 9 1 
ATOM 3562 C C . ASP A-4 1 9 . 43.22 -9.799 11.74 1 15.74 ? C ASP A-4 9 1 
ATOM 3563 O O . ASP A-4 1 9 . 43.11 -10.899 11.214 1 16.58 ? O ASP A-4 9 1 
ATOM 3564 C CB . ASP A-4 1 9 . 45.118 -9.2 13.348 1 19.19 ? CB ASP A-4 9 1 
ATOM 3565 C CG . ASP A-4 1 9 . 44.894 -10.469 14.057 1 22.22 ? CG ASP A-4 9 1 
ATOM 3566 O OD1 . ASP A-4 1 9 . 45.695 -11.391 13.917 0.44 22.76 ? OD1 ASP A-4 9 1 
ATOM 3567 O OD2 . ASP A-4 1 9 . 43.918 -10.562 14.802 0.37 21.47 ? OD2 ASP A-4 9 1 
ATOM 3568 H H . ASP A-4 1 9 . 44.92 -7.251 11.944 1 17.78 ? H ASP A-4 9 1 
ATOM 3569 H HA . ASP A-4 1 9 . 45.244 -9.776 11.395 1 19.23 ? HA ASP A-4 9 1 
ATOM 3570 H HB2 . ASP A-4 1 9 . 46.071 -9.018 13.36 1 23.02 ? HB2 ASP A-4 9 1 
ATOM 3571 H HB3 . ASP A-4 1 9 . 44.645 -8.503 13.829 1 23.02 ? HB3 ASP A-4 9 1 
ATOM 3572 N N . PRO A-4 1 10 . 42.143 -9.087 12.119 1 16.43 ? N PRO A-4 10 1 
ATOM 3573 C CA A PRO A-4 1 10 . 40.847 -9.747 11.885 0.94 18.58 ? CA PRO A-4 10 1 
ATOM 3574 C CA B PRO A-4 1 10 . 40.837 -9.718 11.887 0.06 16.46 ? CA PRO A-4 10 1 
ATOM 3575 C C . PRO A-4 1 10 . 40.523 -9.954 10.401 1 16.76 ? C PRO A-4 10 1 
ATOM 3576 O O . PRO A-4 1 10 . 39.853 -10.924 10.077 1 16.14 ? O PRO A-4 10 1 
ATOM 3577 C CB A PRO A-4 1 10 . 39.831 -8.834 12.604 0.94 22.9 ? CB PRO A-4 10 1 
ATOM 3578 C CB B PRO A-4 1 10 . 39.845 -8.735 12.525 0.06 16.72 ? CB PRO A-4 10 1 
ATOM 3579 C CG A PRO A-4 1 10 . 40.585 -7.639 12.938 0.94 22.9 ? CG PRO A-4 10 1 
ATOM 3580 C CG B PRO A-4 1 10 . 40.617 -7.485 12.768 0.06 16.67 ? CG PRO A-4 10 1 
ATOM 3581 C CD A PRO A-4 1 10 . 42.029 -7.916 12.988 0.94 18.61 ? CD PRO A-4 10 1 
ATOM 3582 C CD B PRO A-4 1 10 . 42.042 -7.869 12.934 0.06 15.79 ? CD PRO A-4 10 1 
ATOM 3583 H HA A PRO A-4 1 10 . 40.843 -10.613 12.322 0.94 22.3 ? HA PRO A-4 10 1 
ATOM 3584 H HA B PRO A-4 1 10 . 40.79 -10.565 12.357 0.06 19.75 ? HA PRO A-4 10 1 
ATOM 3585 H HB2 A PRO A-4 1 10 . 39.097 -8.622 12.005 0.94 27.48 ? HB2 PRO A-4 10 1 
ATOM 3586 H HB2 B PRO A-4 1 10 . 39.111 -8.569 11.912 0.06 20.07 ? HB2 PRO A-4 10 1 
ATOM 3587 H HB3 A PRO A-4 1 10 . 39.506 -9.272 13.407 0.94 27.48 ? HB3 PRO A-4 10 1 
ATOM 3588 H HB3 B PRO A-4 1 10 . 39.516 -9.101 13.36 0.06 20.07 ? HB3 PRO A-4 10 1 
ATOM 3589 H HG2 A PRO A-4 1 10 . 40.408 -6.964 12.264 0.94 27.48 ? HG2 PRO A-4 10 1 
ATOM 3590 H HG2 B PRO A-4 1 10 . 40.515 -6.892 12.008 0.06 20 ? HG2 PRO A-4 10 1 
ATOM 3591 H HG3 A PRO A-4 1 10 . 40.286 -7.318 13.804 0.94 27.48 ? HG3 PRO A-4 10 1 
ATOM 3592 H HG3 B PRO A-4 1 10 . 40.288 -7.057 13.575 0.06 20 ? HG3 PRO A-4 10 1 
ATOM 3593 H HD2 A PRO A-4 1 10 . 42.534 -7.171 12.626 0.94 22.33 ? HD2 PRO A-4 10 1 
ATOM 3594 H HD2 B PRO A-4 1 10 . 42.623 -7.176 12.584 0.06 18.94 ? HD2 PRO A-4 10 1 
ATOM 3595 H HD3 A PRO A-4 1 10 . 42.305 -8.133 13.893 0.94 22.33 ? HD3 PRO A-4 10 1 
ATOM 3596 H HD3 B PRO A-4 1 10 . 42.236 -8.064 13.864 0.06 18.94 ? HD3 PRO A-4 10 1 
ATOM 3597 N N . PHE A-4 1 11 . 40.997 -9.084 9.51 1 15.25 ? N PHE A-4 11 1 
ATOM 3598 C CA . PHE A-4 1 11 . 40.742 -9.257 8.09 1 14.68 ? CA PHE A-4 11 1 
ATOM 3599 C C . PHE A-4 1 11 . 41.449 -10.5 7.59 1 13.41 ? C PHE A-4 11 1 
ATOM 3600 O O . PHE A-4 1 11 . 40.87 -11.345 6.932 1 14.32 ? O PHE A-4 11 1 
ATOM 3601 C CB . PHE A-4 1 11 . 41.19 -7.998 7.33 1 14.91 ? CB PHE A-4 11 1 
ATOM 3602 C CG . PHE A-4 1 11 . 40.734 -7.982 5.919 1 15.72 ? CG PHE A-4 11 1 
ATOM 3603 C CD1 . PHE A-4 1 11 . 39.386 -7.698 5.61 1 20.17 ? CD1 PHE A-4 11 1 
ATOM 3604 C CD2 . PHE A-4 1 11 . 41.619 -8.192 4.88 1 16.55 ? CD2 PHE A-4 11 1 
ATOM 3605 C CE1 . PHE A-4 1 11 . 38.965 -7.629 4.29 1 21.93 ? CE1 PHE A-4 11 1 
ATOM 3606 C CE2 . PHE A-4 1 11 . 41.184 -8.12 3.501 1 18.03 ? CE2 PHE A-4 11 1 
ATOM 3607 C CZ . PHE A-4 1 11 . 39.863 -7.83 3.265 1 19.5 ? CZ PHE A-4 11 1 
ATOM 3608 H H . PHE A-4 1 11 . 41.466 -8.391 9.705 1 18.3 ? H PHE A-4 11 1 
ATOM 3609 H HA . PHE A-4 1 11 . 39.79 -9.373 7.949 1 17.62 ? HA PHE A-4 11 1 
ATOM 3610 H HB2 . PHE A-4 1 11 . 40.825 -7.216 7.772 1 17.89 ? HB2 PHE A-4 11 1 
ATOM 3611 H HB3 . PHE A-4 1 11 . 42.16 -7.957 7.332 1 17.89 ? HB3 PHE A-4 11 1 
ATOM 3612 H HD1 . PHE A-4 1 11 . 38.779 -7.54 6.297 1 24.2 ? HD1 PHE A-4 11 1 
ATOM 3613 H HD2 . PHE A-4 1 11 . 42.513 -8.364 5.069 1 19.85 ? HD2 PHE A-4 11 1 
ATOM 3614 H HE1 . PHE A-4 1 11 . 38.075 -7.445 4.097 1 26.31 ? HE1 PHE A-4 11 1 
ATOM 3615 H HE2 . PHE A-4 1 11 . 41.779 -8.264 2.8 1 21.64 ? HE2 PHE A-4 11 1 
ATOM 3616 H HZ . PHE A-4 1 11 . 39.558 -7.802 2.387 1 23.41 ? HZ PHE A-4 11 1 
ATOM 3617 N N . LEU A-4 1 12 . 42.751 -10.586 7.851 1 13.43 ? N LEU A-4 12 1 
ATOM 3618 C CA . LEU A-4 1 12 . 43.499 -11.78 7.436 1 13.5 ? CA LEU A-4 12 1 
ATOM 3619 C C . LEU A-4 1 12 . 42.961 -13.032 8.093 1 13.15 ? C LEU A-4 12 1 
ATOM 3620 O O . LEU A-4 1 12 . 42.897 -14.096 7.429 1 14.08 ? O LEU A-4 12 1 
ATOM 3621 C CB . LEU A-4 1 12 . 44.99 -11.612 7.747 1 14.18 ? CB LEU A-4 12 1 
ATOM 3622 C CG . LEU A-4 1 12 . 45.715 -10.533 6.918 1 13.82 ? CG LEU A-4 12 1 
ATOM 3623 C CD1 . LEU A-4 1 12 . 47.126 -10.435 7.351 1 15.22 ? CD1 LEU A-4 12 1 
ATOM 3624 C CD2 . LEU A-4 1 12 . 45.6 -10.783 5.39 1 16.44 ? CD2 LEU A-4 12 1 
ATOM 3625 H H . LEU A-4 1 12 . 43.217 -9.987 8.255 1 16.12 ? H LEU A-4 12 1 
ATOM 3626 H HA . LEU A-4 1 12 . 43.407 -11.888 6.476 1 16.2 ? HA LEU A-4 12 1 
ATOM 3627 H HB2 . LEU A-4 1 12 . 45.084 -11.373 8.682 1 17.01 ? HB2 LEU A-4 12 1 
ATOM 3628 H HB3 . LEU A-4 1 12 . 45.437 -12.457 7.581 1 17.01 ? HB3 LEU A-4 12 1 
ATOM 3629 H HG . LEU A-4 1 12 . 45.298 -9.677 7.101 1 16.58 ? HG LEU A-4 12 1 
ATOM 3630 H HD11 . LEU A-4 1 12 . 47.151 -10.195 8.29 1 18.26 ? HD11 LEU A-4 12 1 
ATOM 3631 H HD12 . LEU A-4 1 12 . 47.557 -11.293 7.216 1 18.26 ? HD12 LEU A-4 12 1 
ATOM 3632 H HD13 . LEU A-4 1 12 . 47.571 -9.754 6.822 1 18.26 ? HD13 LEU A-4 12 1 
ATOM 3633 H HD21 . LEU A-4 1 12 . 44.663 -10.78 5.139 1 19.72 ? HD21 LEU A-4 12 1 
ATOM 3634 H HD22 . LEU A-4 1 12 . 46.072 -10.079 4.919 1 19.72 ? HD22 LEU A-4 12 1 
ATOM 3635 H HD23 . LEU A-4 1 12 . 45.996 -11.644 5.181 1 19.72 ? HD23 LEU A-4 12 1 
ATOM 3636 N N . ASN A-4 1 13 . 42.582 -12.949 9.35 1 13.9 ? N ASN A-4 13 1 
ATOM 3637 C CA . ASN A-4 1 13 . 42.035 -14.141 9.986 1 14.79 ? CA ASN A-4 13 1 
ATOM 3638 C C . ASN A-4 1 13 . 40.724 -14.579 9.394 1 14.44 ? C ASN A-4 13 1 
ATOM 3639 O O . ASN A-4 1 13 . 40.477 -15.775 9.304 1 14.98 ? O ASN A-4 13 1 
ATOM 3640 C CB . ASN A-4 1 13 . 41.897 -13.887 11.47 1 17.66 ? CB ASN A-4 13 1 
ATOM 3641 C CG . ASN A-4 1 13 . 41.848 -15.144 12.234 1 28.36 ? CG ASN A-4 13 1 
ATOM 3642 O OD1 . ASN A-4 1 13 . 42.762 -15.958 12.128 1 31.7 ? OD1 ASN A-4 13 1 
ATOM 3643 N ND2 . ASN A-4 1 13 . 40.775 -15.33 13.006 1 31.96 ? ND2 ASN A-4 13 1 
ATOM 3644 H H . ASN A-4 1 13 . 42.624 -12.247 9.846 1 16.68 ? H ASN A-4 13 1 
ATOM 3645 H HA . ASN A-4 1 13 . 42.665 -14.869 9.871 1 17.75 ? HA ASN A-4 13 1 
ATOM 3646 H HB2 . ASN A-4 1 13 . 42.659 -13.374 11.779 1 21.19 ? HB2 ASN A-4 13 1 
ATOM 3647 H HB3 . ASN A-4 1 13 . 41.075 -13.399 11.636 1 21.19 ? HB3 ASN A-4 13 1 
ATOM 3648 H HD21 . ASN A-4 1 13 . 40.7 -16.049 13.472 1 38.35 ? HD21 ASN A-4 13 1 
ATOM 3649 H HD22 . ASN A-4 1 13 . 40.159 -14.73 13.038 1 38.35 ? HD22 ASN A-4 13 1 
ATOM 3650 N N . ALA A-4 1 14 . 39.891 -13.638 8.967 1 14.72 ? N ALA A-4 14 1 
ATOM 3651 C CA . ALA A-4 1 14 . 38.64 -13.995 8.339 1 15.49 ? CA ALA A-4 14 1 
ATOM 3652 C C . ALA A-4 1 14 . 38.926 -14.712 7.013 1 14.26 ? C ALA A-4 14 1 
ATOM 3653 O O . ALA A-4 1 14 . 38.289 -15.724 6.706 1 15.89 ? O ALA A-4 14 1 
ATOM 3654 C CB . ALA A-4 1 14 . 37.792 -12.77 8.146 1 16.6 ? CB ALA A-4 14 1 
ATOM 3655 H H . ALA A-4 1 14 . 40.031 -12.792 9.032 1 17.66 ? H ALA A-4 14 1 
ATOM 3656 H HA . ALA A-4 1 14 . 38.158 -14.608 8.916 1 18.59 ? HA ALA A-4 14 1 
ATOM 3657 H HB1 . ALA A-4 1 14 . 37.616 -12.369 9.012 1 19.93 ? HB1 ALA A-4 14 1 
ATOM 3658 H HB2 . ALA A-4 1 14 . 38.269 -12.142 7.581 1 19.93 ? HB2 ALA A-4 14 1 
ATOM 3659 H HB3 . ALA A-4 1 14 . 36.958 -13.028 7.724 1 19.93 ? HB3 ALA A-4 14 1 
ATOM 3660 N N . LEU A-4 1 15 . 39.865 -14.201 6.23 1 14.03 ? N LEU A-4 15 1 
ATOM 3661 C CA . LEU A-4 1 15 . 40.201 -14.833 4.986 1 14.69 ? CA LEU A-4 15 1 
ATOM 3662 C C . LEU A-4 1 15 . 40.725 -16.216 5.212 1 14.5 ? C LEU A-4 15 1 
ATOM 3663 O O . LEU A-4 1 15 . 40.4 -17.157 4.461 1 14.99 ? O LEU A-4 15 1 
ATOM 3664 C CB . LEU A-4 1 15 . 41.225 -13.988 4.23 1 15.47 ? CB LEU A-4 15 1 
ATOM 3665 C CG . LEU A-4 1 15 . 40.665 -12.662 3.744 1 17.7 ? CG LEU A-4 15 1 
ATOM 3666 C CD1 . LEU A-4 1 15 . 41.819 -11.77 3.262 1 19.38 ? CD1 LEU A-4 15 1 
ATOM 3667 C CD2 . LEU A-4 1 15 . 39.586 -12.82 2.657 1 20.36 ? CD2 LEU A-4 15 1 
ATOM 3668 H H . LEU A-4 1 15 . 40.318 -13.491 6.404 1 16.84 ? H LEU A-4 15 1 
ATOM 3669 H HA . LEU A-4 1 15 . 39.403 -14.9 4.438 1 17.63 ? HA LEU A-4 15 1 
ATOM 3670 H HB2 . LEU A-4 1 15 . 41.972 -13.798 4.819 1 18.56 ? HB2 LEU A-4 15 1 
ATOM 3671 H HB3 . LEU A-4 1 15 . 41.532 -14.484 3.456 1 18.56 ? HB3 LEU A-4 15 1 
ATOM 3672 H HG . LEU A-4 1 15 . 40.251 -12.213 4.497 1 21.24 ? HG LEU A-4 15 1 
ATOM 3673 H HD11 . LEU A-4 1 15 . 41.456 -10.926 2.952 1 23.26 ? HD11 LEU A-4 15 1 
ATOM 3674 H HD12 . LEU A-4 1 15 . 42.429 -11.618 4 1 23.26 ? HD12 LEU A-4 15 1 
ATOM 3675 H HD13 . LEU A-4 1 15 . 42.281 -12.218 2.536 1 23.26 ? HD13 LEU A-4 15 1 
ATOM 3676 H HD21 . LEU A-4 1 15 . 39.273 -11.94 2.393 1 24.43 ? HD21 LEU A-4 15 1 
ATOM 3677 H HD22 . LEU A-4 1 15 . 39.971 -13.277 1.894 1 24.43 ? HD22 LEU A-4 15 1 
ATOM 3678 H HD23 . LEU A-4 1 15 . 38.849 -13.338 3.017 1 24.43 ? HD23 LEU A-4 15 1 
ATOM 3679 N N . ARG A-4 1 16 . 41.58 -16.386 6.207 1 13.56 ? N ARG A-4 16 1 
ATOM 3680 C CA . ARG A-4 1 16 . 42.146 -17.692 6.531 1 14 ? CA ARG A-4 16 1 
ATOM 3681 C C . ARG A-4 1 16 . 41.054 -18.627 6.993 1 14.32 ? C ARG A-4 16 1 
ATOM 3682 O O . ARG A-4 1 16 . 40.939 -19.765 6.492 1 16.03 ? O ARG A-4 16 1 
ATOM 3683 C CB . ARG A-4 1 16 . 43.174 -17.498 7.656 1 14.94 ? CB ARG A-4 16 1 
ATOM 3684 C CG . ARG A-4 1 16 . 43.81 -18.778 8.068 1 17.06 ? CG ARG A-4 16 1 
ATOM 3685 C CD . ARG A-4 1 16 . 44.63 -18.626 9.348 1 20.14 ? CD ARG A-4 16 1 
ATOM 3686 N NE . ARG A-4 1 16 . 43.744 -18.304 10.476 1 27.12 ? NE ARG A-4 16 1 
ATOM 3687 C CZ . ARG A-4 1 16 . 42.904 -19.166 11.039 1 37.34 ? CZ ARG A-4 16 1 
ATOM 3688 N NH1 . ARG A-4 1 16 . 42.88 -20.445 10.642 1 39.8 ? NH1 ARG A-4 16 1 
ATOM 3689 N NH2 . ARG A-4 1 16 . 42.116 -18.773 12.033 1 40.18 ? NH2 ARG A-4 16 1 
ATOM 3690 H H . ARG A-4 1 16 . 41.855 -15.752 6.719 1 16.27 ? H ARG A-4 16 1 
ATOM 3691 H HA . ARG A-4 1 16 . 42.587 -18.071 5.755 1 16.8 ? HA ARG A-4 16 1 
ATOM 3692 H HB2 . ARG A-4 1 16 . 43.873 -16.9 7.347 1 17.92 ? HB2 ARG A-4 16 1 
ATOM 3693 H HB3 . ARG A-4 1 16 . 42.73 -17.119 8.43 1 17.92 ? HB3 ARG A-4 16 1 
ATOM 3694 H HG2 . ARG A-4 1 16 . 43.119 -19.439 8.228 1 20.47 ? HG2 ARG A-4 16 1 
ATOM 3695 H HG3 . ARG A-4 1 16 . 44.404 -19.08 7.363 1 20.47 ? HG3 ARG A-4 16 1 
ATOM 3696 H HD2 . ARG A-4 1 16 . 45.086 -19.46 9.542 1 24.17 ? HD2 ARG A-4 16 1 
ATOM 3697 H HD3 . ARG A-4 1 16 . 45.268 -17.904 9.241 1 24.17 ? HD3 ARG A-4 16 1 
ATOM 3698 H HE . ARG A-4 1 16 . 43.771 -17.505 10.792 1 32.55 ? HE ARG A-4 16 1 
ATOM 3699 H HH11 . ARG A-4 1 16 . 43.383 -20.704 9.994 1 47.76 ? HH11 ARG A-4 16 1 
ATOM 3700 H HH12 . ARG A-4 1 16 . 42.343 -21.002 11.018 1 47.76 ? HH12 ARG A-4 16 1 
ATOM 3701 H HH21 . ARG A-4 1 16 . 42.139 -17.957 12.303 1 48.21 ? HH21 ARG A-4 16 1 
ATOM 3702 H HH22 . ARG A-4 1 16 . 41.591 -19.338 12.415 1 48.21 ? HH22 ARG A-4 16 1 
ATOM 3703 N N . ARG A-4 1 17 . 40.236 -18.226 7.965 1 15.46 ? N ARG A-4 17 1 
ATOM 3704 C CA . ARG A-4 1 17 . 39.23 -19.082 8.539 1 18.16 ? CA ARG A-4 17 1 
ATOM 3705 C C . ARG A-4 1 17 . 38.211 -19.525 7.479 1 18.03 ? C ARG A-4 17 1 
ATOM 3706 O O . ARG A-4 1 17 . 37.787 -20.687 7.429 1 19.82 ? O ARG A-4 17 1 
ATOM 3707 C CB . ARG A-4 1 17 . 38.516 -18.304 9.65 1 22.42 ? CB ARG A-4 17 1 
ATOM 3708 C CG . ARG A-4 1 17 . 37.342 -19.021 10.307 1 31.87 ? CG ARG A-4 17 1 
ATOM 3709 C CD . ARG A-4 1 17 . 36.585 -18.073 11.237 1 40.81 ? CD ARG A-4 17 1 
ATOM 3710 N NE . ARG A-4 1 17 . 35.843 -17.048 10.501 1 50.12 ? NE ARG A-4 17 1 
ATOM 3711 C CZ . ARG A-4 1 17 . 36.035 -15.73 10.617 1 55.05 ? CZ ARG A-4 17 1 
ATOM 3712 N NH1 . ARG A-4 1 17 . 36.942 -15.231 11.462 1 53.28 ? NH1 ARG A-4 17 1 
ATOM 3713 N NH2 . ARG A-4 1 17 . 35.301 -14.894 9.883 1 58.26 ? NH2 ARG A-4 17 1 
ATOM 3714 H H . ARG A-4 1 17 . 40.253 -17.438 8.31 1 18.56 ? H ARG A-4 17 1 
ATOM 3715 H HA . ARG A-4 1 17 . 39.646 -19.87 8.923 1 21.79 ? HA ARG A-4 17 1 
ATOM 3716 H HB2 . ARG A-4 1 17 . 39.161 -18.105 10.347 1 26.91 ? HB2 ARG A-4 17 1 
ATOM 3717 H HB3 . ARG A-4 1 17 . 38.178 -17.476 9.275 1 26.91 ? HB3 ARG A-4 17 1 
ATOM 3718 H HG2 . ARG A-4 1 17 . 36.73 -19.332 9.622 1 38.25 ? HG2 ARG A-4 17 1 
ATOM 3719 H HG3 . ARG A-4 1 17 . 37.672 -19.767 10.831 1 38.25 ? HG3 ARG A-4 17 1 
ATOM 3720 H HD2 . ARG A-4 1 17 . 35.95 -18.585 11.763 1 48.97 ? HD2 ARG A-4 17 1 
ATOM 3721 H HD3 . ARG A-4 1 17 . 37.218 -17.627 11.82 1 48.97 ? HD3 ARG A-4 17 1 
ATOM 3722 H HE . ARG A-4 1 17 . 35.237 -17.314 9.951 1 60.14 ? HE ARG A-4 17 1 
ATOM 3723 H HH11 . ARG A-4 1 17 . 37.423 -15.761 11.939 1 63.94 ? HH11 ARG A-4 17 1 
ATOM 3724 H HH12 . ARG A-4 1 17 . 37.049 -14.38 11.524 1 63.94 ? HH12 ARG A-4 17 1 
ATOM 3725 H HH21 . ARG A-4 1 17 . 34.711 -15.204 9.339 1 69.91 ? HH21 ARG A-4 17 1 
ATOM 3726 H HH22 . ARG A-4 1 17 . 35.414 -14.045 9.957 1 69.91 ? HH22 ARG A-4 17 1 
ATOM 3727 N N . GLU A-4 1 18 . 37.805 -18.599 6.633 1 17.94 ? N GLU A-4 18 1 
ATOM 3728 C CA . GLU A-4 1 18 . 36.789 -18.901 5.617 1 21.59 ? CA GLU A-4 18 1 
ATOM 3729 C C . GLU A-4 1 18 . 37.328 -19.537 4.33 1 30.17 ? C GLU A-4 18 1 
ATOM 3730 O O . GLU A-4 1 18 . 36.563 -19.938 3.423 1 21.22 ? O GLU A-4 18 1 
ATOM 3731 C CB . GLU A-4 1 18 . 35.949 -17.638 5.318 1 26.66 ? CB GLU A-4 18 1 
ATOM 3732 C CG . GLU A-4 1 18 . 35.301 -17.016 6.601 1 31.03 ? CG GLU A-4 18 1 
ATOM 3733 C CD . GLU A-4 1 18 . 33.869 -16.552 6.443 1 34.78 ? CD GLU A-4 18 1 
ATOM 3734 O OE1 . GLU A-4 1 18 . 33.279 -16.185 7.475 0.28 34.49 ? OE1 GLU A-4 18 1 
ATOM 3735 O OE2 . GLU A-4 1 18 . 33.346 -16.535 5.313 0.52 37.51 ? OE2 GLU A-4 18 1 
ATOM 3736 H H . GLU A-4 1 18 . 38.094 -17.789 6.617 1 21.53 ? H GLU A-4 18 1 
ATOM 3737 H HA . GLU A-4 1 18 . 36.18 -19.549 6.004 1 25.9 ? HA GLU A-4 18 1 
ATOM 3738 H HB2 . GLU A-4 1 18 . 36.522 -16.967 4.916 1 32 ? HB2 GLU A-4 18 1 
ATOM 3739 H HB3 . GLU A-4 1 18 . 35.234 -17.873 4.706 1 32 ? HB3 GLU A-4 18 1 
ATOM 3740 H HG2 . GLU A-4 1 18 . 35.316 -17.681 7.306 1 37.23 ? HG2 GLU A-4 18 1 
ATOM 3741 H HG3 . GLU A-4 1 18 . 35.829 -16.247 6.869 1 37.23 ? HG3 GLU A-4 18 1 
ATOM 3742 N N . ARG A-4 1 19 . 38.66 -19.638 4.285 1 53.47 ? N ARG A-4 19 1 
ATOM 3743 C CA . ARG A-4 1 19 . 39.363 -20.284 3.183 1 57.88 ? CA ARG A-4 19 1 
ATOM 3744 C C . ARG A-4 1 19 . 39.025 -19.624 1.859 1 20.77 ? C ARG A-4 19 1 
ATOM 3745 O O . ARG A-4 1 19 . 38.998 -20.248 0.805 1 17.23 ? O ARG A-4 19 1 
ATOM 3746 C CB . ARG A-4 1 19 . 39.056 -21.772 3.159 1 42.32 ? CB ARG A-4 19 1 
ATOM 3747 C CG . ARG A-4 1 19 . 39.466 -22.461 4.453 1 28.97 ? CG ARG A-4 19 1 
ATOM 3748 C CD . ARG A-4 1 19 . 39.074 -23.909 4.447 1 28.43 ? CD ARG A-4 19 1 
ATOM 3749 N NE . ARG A-4 1 19 . 39.413 -24.544 5.72 1 31.43 ? NE ARG A-4 19 1 
ATOM 3750 C CZ . ARG A-4 1 19 . 40.222 -25.596 5.839 1 36.91 ? CZ ARG A-4 19 1 
ATOM 3751 N NH1 . ARG A-4 1 19 . 40.795 -26.126 4.766 1 38.29 ? NH1 ARG A-4 19 1 
ATOM 3752 N NH2 . ARG A-4 1 19 . 40.451 -26.109 7.034 1 38.48 ? NH2 ARG A-4 19 1 
ATOM 3753 H H . ARG A-4 1 19 . 39.184 -19.333 4.895 1 64.16 ? H ARG A-4 19 1 
ATOM 3754 H HA . ARG A-4 1 19 . 40.317 -20.184 3.325 1 69.45 ? HA ARG A-4 19 1 
ATOM 3755 H HB2 . ARG A-4 1 19 . 38.102 -21.899 3.038 1 50.78 ? HB2 ARG A-4 19 1 
ATOM 3756 H HB3 . ARG A-4 1 19 . 39.543 -22.186 2.429 1 50.78 ? HB3 ARG A-4 19 1 
ATOM 3757 H HG2 . ARG A-4 1 19 . 40.429 -22.407 4.554 1 34.77 ? HG2 ARG A-4 19 1 
ATOM 3758 H HG3 . ARG A-4 1 19 . 39.024 -22.029 5.2 1 34.77 ? HG3 ARG A-4 19 1 
ATOM 3759 H HD2 . ARG A-4 1 19 . 38.116 -23.984 4.313 1 34.11 ? HD2 ARG A-4 19 1 
ATOM 3760 H HD3 . ARG A-4 1 19 . 39.551 -24.369 3.739 1 34.11 ? HD3 ARG A-4 19 1 
ATOM 3761 H HE . ARG A-4 1 19 . 39.037 -24.242 6.432 1 37.71 ? HE ARG A-4 19 1 
ATOM 3762 H HH11 . ARG A-4 1 19 . 40.641 -25.794 3.988 1 45.94 ? HH11 ARG A-4 19 1 
ATOM 3763 H HH12 . ARG A-4 1 19 . 41.319 -26.804 4.848 1 45.94 ? HH12 ARG A-4 19 1 
ATOM 3764 H HH21 . ARG A-4 1 19 . 40.082 -25.761 7.728 1 46.18 ? HH21 ARG A-4 19 1 
ATOM 3765 H HH22 . ARG A-4 1 19 . 40.978 -26.783 7.119 1 46.18 ? HH22 ARG A-4 19 1 
ATOM 3766 N N . VAL A-4 1 20 . 38.912 -18.286 1.918 1 16.45 ? N VAL A-4 20 1 
ATOM 3767 C CA . VAL A-4 1 20 . 38.503 -17.538 0.757 1 16.99 ? CA VAL A-4 20 1 
ATOM 3768 C C . VAL A-4 1 20 . 39.678 -17.405 -0.224 1 15.76 ? C VAL A-4 20 1 
ATOM 3769 O O . VAL A-4 1 20 . 40.747 -16.95 0.174 1 17.74 ? O VAL A-4 20 1 
ATOM 3770 C CB . VAL A-4 1 20 . 38.015 -16.137 1.196 1 20.14 ? CB VAL A-4 20 1 
ATOM 3771 C CG1 . VAL A-4 1 20 . 37.649 -15.278 0.02 1 20.23 ? CG1 VAL A-4 20 1 
ATOM 3772 C CG2 . VAL A-4 1 20 . 36.876 -16.293 2.151 1 24.49 ? CG2 VAL A-4 20 1 
ATOM 3773 H H . VAL A-4 1 20 . 39.068 -17.809 2.616 1 19.73 ? H VAL A-4 20 1 
ATOM 3774 H HA . VAL A-4 1 20 . 37.775 -17.997 0.31 1 20.39 ? HA VAL A-4 20 1 
ATOM 3775 H HB . VAL A-4 1 20 . 38.735 -15.693 1.67 1 24.16 ? HB VAL A-4 20 1 
ATOM 3776 H HG11 . VAL A-4 1 20 . 37.35 -14.413 0.342 1 24.27 ? HG11 VAL A-4 20 1 
ATOM 3777 H HG12 . VAL A-4 1 20 . 38.43 -15.169 -0.545 1 24.27 ? HG12 VAL A-4 20 1 
ATOM 3778 H HG13 . VAL A-4 1 20 . 36.938 -15.71 -0.477 1 24.27 ? HG13 VAL A-4 20 1 
ATOM 3779 H HG21 . VAL A-4 1 20 . 36.571 -15.414 2.425 1 29.39 ? HG21 VAL A-4 20 1 
ATOM 3780 H HG22 . VAL A-4 1 20 . 36.156 -16.77 1.708 1 29.39 ? HG22 VAL A-4 20 1 
ATOM 3781 H HG23 . VAL A-4 1 20 . 37.179 -16.795 2.924 1 29.39 ? HG23 VAL A-4 20 1 
ATOM 3782 N N . PRO A-4 1 21 . 39.507 -17.734 -1.494 1 15.57 ? N PRO A-4 21 1 
ATOM 3783 C CA . PRO A-4 1 21 . 40.583 -17.455 -2.465 1 15.95 ? CA PRO A-4 21 1 
ATOM 3784 C C . PRO A-4 1 21 . 40.888 -15.973 -2.486 1 14.66 ? C PRO A-4 21 1 
ATOM 3785 O O . PRO A-4 1 21 . 39.938 -15.153 -2.457 1 15.54 ? O PRO A-4 21 1 
ATOM 3786 C CB . PRO A-4 1 21 . 40.025 -17.953 -3.797 1 18.43 ? CB PRO A-4 21 1 
ATOM 3787 C CG . PRO A-4 1 21 . 39.033 -19.034 -3.38 1 20.03 ? CG PRO A-4 21 1 
ATOM 3788 C CD . PRO A-4 1 21 . 38.388 -18.454 -2.109 1 17.26 ? CD PRO A-4 21 1 
ATOM 3789 H HA . PRO A-4 1 21 . 41.385 -17.952 -2.24 1 19.14 ? HA PRO A-4 21 1 
ATOM 3790 H HB2 . PRO A-4 1 21 . 39.576 -17.229 -4.26 1 22.11 ? HB2 PRO A-4 21 1 
ATOM 3791 H HB3 . PRO A-4 1 21 . 40.739 -18.326 -4.337 1 22.11 ? HB3 PRO A-4 21 1 
ATOM 3792 H HG2 . PRO A-4 1 21 . 38.372 -19.164 -4.078 1 24.03 ? HG2 PRO A-4 21 1 
ATOM 3793 H HG3 . PRO A-4 1 21 . 39.504 -19.859 -3.186 1 24.03 ? HG3 PRO A-4 21 1 
ATOM 3794 H HD2 . PRO A-4 1 21 . 37.672 -17.841 -2.338 1 20.71 ? HD2 PRO A-4 21 1 
ATOM 3795 H HD3 . PRO A-4 1 21 . 38.079 -19.166 -1.527 1 20.71 ? HD3 PRO A-4 21 1 
ATOM 3796 N N . VAL A-4 1 22 . 42.158 -15.607 -2.504 1 13.99 ? N VAL A-4 22 1 
ATOM 3797 C CA . VAL A-4 1 22 . 42.551 -14.221 -2.537 1 13.76 ? CA VAL A-4 22 1 
ATOM 3798 C C . VAL A-4 1 22 . 43.565 -14.01 -3.624 1 13.13 ? C VAL A-4 22 1 
ATOM 3799 O O . VAL A-4 1 22 . 44.248 -14.939 -4.088 1 14.6 ? O VAL A-4 22 1 
ATOM 3800 C CB . VAL A-4 1 22 . 43.209 -13.75 -1.209 1 15.29 ? CB VAL A-4 22 1 
ATOM 3801 C CG1 . VAL A-4 1 22 . 42.26 -13.883 -0.034 1 17.78 ? CG1 VAL A-4 22 1 
ATOM 3802 C CG2 . VAL A-4 1 22 . 44.524 -14.485 -0.899 1 17.03 ? CG2 VAL A-4 22 1 
ATOM 3803 H H . VAL A-4 1 22 . 42.819 -16.156 -2.497 1 16.79 ? H VAL A-4 22 1 
ATOM 3804 H HA . VAL A-4 1 22 . 41.778 -13.663 -2.718 1 16.51 ? HA VAL A-4 22 1 
ATOM 3805 H HB . VAL A-4 1 22 . 43.423 -12.808 -1.297 1 18.35 ? HB VAL A-4 22 1 
ATOM 3806 H HG11 . VAL A-4 1 22 . 41.415 -14.242 -0.35 1 21.33 ? HG11 VAL A-4 22 1 
ATOM 3807 H HG12 . VAL A-4 1 22 . 42.65 -14.483 0.62 1 21.33 ? HG12 VAL A-4 22 1 
ATOM 3808 H HG13 . VAL A-4 1 22 . 42.121 -13.008 0.36 1 21.33 ? HG13 VAL A-4 22 1 
ATOM 3809 H HG21 . VAL A-4 1 22 . 44.705 -15.122 -1.607 1 20.44 ? HG21 VAL A-4 22 1 
ATOM 3810 H HG22 . VAL A-4 1 22 . 45.243 -13.836 -0.846 1 20.44 ? HG22 VAL A-4 22 1 
ATOM 3811 H HG23 . VAL A-4 1 22 . 44.434 -14.948 -0.051 1 20.44 ? HG23 VAL A-4 22 1 
ATOM 3812 N N . SER A-4 1 23 . 43.665 -12.743 -4.005 1 13.27 ? N SER A-4 23 1 
ATOM 3813 C CA . SER A-4 1 23 . 44.752 -12.258 -4.839 1 13.78 ? CA SER A-4 23 1 
ATOM 3814 C C . SER A-4 1 23 . 45.632 -11.373 -3.956 1 12.9 ? C SER A-4 23 1 
ATOM 3815 O O . SER A-4 1 23 . 45.134 -10.489 -3.271 1 14.64 ? O SER A-4 23 1 
ATOM 3816 C CB . SER A-4 1 23 . 44.221 -11.476 -6.025 1 15.99 ? CB SER A-4 23 1 
ATOM 3817 O OG . SER A-4 1 23 . 43.44 -12.314 -6.852 1 18.21 ? OG SER A-4 23 1 
ATOM 3818 H H . SER A-4 1 23 . 43.1 -12.132 -3.788 1 15.93 ? H SER A-4 23 1 
ATOM 3819 H HA . SER A-4 1 23 . 45.28 -13.004 -5.164 1 16.53 ? HA SER A-4 23 1 
ATOM 3820 H HB2 . SER A-4 1 23 . 43.671 -10.745 -5.702 1 19.18 ? HB2 SER A-4 23 1 
ATOM 3821 H HB3 . SER A-4 1 23 . 44.968 -11.13 -6.538 1 19.18 ? HB3 SER A-4 23 1 
ATOM 3822 H HG . SER A-4 1 23 . 43.147 -11.878 -7.507 1 21.85 ? HG SER A-4 23 1 
ATOM 3823 N N . ILE A-4 1 24 . 46.922 -11.623 -3.989 1 12.81 ? N ILE A-4 24 1 
ATOM 3824 C CA . ILE A-4 1 24 . 47.915 -10.797 -3.286 1 12.89 ? CA ILE A-4 24 1 
ATOM 3825 C C . ILE A-4 1 24 . 48.74 -10.124 -4.359 1 12.51 ? C ILE A-4 24 1 
ATOM 3826 O O . ILE A-4 1 24 . 49.46 -10.78 -5.111 1 14.21 ? O ILE A-4 24 1 
ATOM 3827 C CB . ILE A-4 1 24 . 48.757 -11.63 -2.335 1 12.76 ? CB ILE A-4 24 1 
ATOM 3828 C CG1 . ILE A-4 1 24 . 47.889 -12.279 -1.261 1 15.24 ? CG1 ILE A-4 24 1 
ATOM 3829 C CG2 . ILE A-4 1 24 . 49.842 -10.758 -1.71 1 14.36 ? CG2 ILE A-4 24 1 
ATOM 3830 C CD1 . ILE A-4 1 24 . 48.636 -12.992 -0.159 1 16.6 ? CD1 ILE A-4 24 1 
ATOM 3831 H H . ILE A-4 1 24 . 47.269 -12.281 -4.421 1 15.37 ? H ILE A-4 24 1 
ATOM 3832 H HA . ILE A-4 1 24 . 47.46 -10.112 -2.772 1 15.47 ? HA ILE A-4 24 1 
ATOM 3833 H HB . ILE A-4 1 24 . 49.187 -12.334 -2.846 1 15.31 ? HB ILE A-4 24 1 
ATOM 3834 H HG12 . ILE A-4 1 24 . 47.348 -11.588 -0.846 1 18.28 ? HG12 ILE A-4 24 1 
ATOM 3835 H HG13 . ILE A-4 1 24 . 47.309 -12.93 -1.687 1 18.28 ? HG13 ILE A-4 24 1 
ATOM 3836 H HG21 . ILE A-4 1 24 . 49.421 -10.033 -1.221 1 17.23 ? HG21 ILE A-4 24 1 
ATOM 3837 H HG22 . ILE A-4 1 24 . 50.372 -11.301 -1.105 1 17.23 ? HG22 ILE A-4 24 1 
ATOM 3838 H HG23 . ILE A-4 1 24 . 50.405 -10.401 -2.414 1 17.23 ? HG23 ILE A-4 24 1 
ATOM 3839 H HD11 . ILE A-4 1 24 . 49.21 -12.355 0.295 1 19.92 ? HD11 ILE A-4 24 1 
ATOM 3840 H HD12 . ILE A-4 1 24 . 47.995 -13.365 0.466 1 19.92 ? HD12 ILE A-4 24 1 
ATOM 3841 H HD13 . ILE A-4 1 24 . 49.171 -13.701 -0.549 1 19.92 ? HD13 ILE A-4 24 1 
ATOM 3842 N N . TYR A-4 1 25 . 48.626 -8.803 -4.432 1 12.6 ? N TYR A-4 25 1 
ATOM 3843 C CA . TYR A-4 1 25 . 49.376 -8.02 -5.394 1 12.9 ? CA TYR A-4 25 1 
ATOM 3844 C C . TYR A-4 1 25 . 50.635 -7.521 -4.744 1 12.27 ? C TYR A-4 25 1 
ATOM 3845 O O . TYR A-4 1 25 . 50.583 -6.953 -3.661 1 16.16 ? O TYR A-4 25 1 
ATOM 3846 C CB . TYR A-4 1 25 . 48.535 -6.855 -5.881 1 14.57 ? CB TYR A-4 25 1 
ATOM 3847 C CG . TYR A-4 1 25 . 47.323 -7.315 -6.644 1 16.38 ? CG TYR A-4 25 1 
ATOM 3848 C CD1 . TYR A-4 1 25 . 47.331 -7.277 -8.029 1 22.07 ? CD1 TYR A-4 25 1 
ATOM 3849 C CD2 . TYR A-4 1 25 . 46.142 -7.641 -6.026 1 15.8 ? CD2 TYR A-4 25 1 
ATOM 3850 C CE1 . TYR A-4 1 25 . 46.223 -7.675 -8.772 1 22.61 ? CE1 TYR A-4 25 1 
ATOM 3851 C CE2 . TYR A-4 1 25 . 45.017 -8.09 -6.759 1 18.33 ? CE2 TYR A-4 25 1 
ATOM 3852 C CZ . TYR A-4 1 25 . 45.086 -8.119 -8.112 1 20.73 ? CZ TYR A-4 25 1 
ATOM 3853 O OH . TYR A-4 1 25 . 44.001 -8.527 -8.869 1 24.78 ? OH TYR A-4 25 1 
ATOM 3854 H H . TYR A-4 1 25 . 48.113 -8.334 -3.926 1 15.12 ? H TYR A-4 25 1 
ATOM 3855 H HA . TYR A-4 1 25 . 49.614 -8.573 -6.154 1 15.49 ? HA TYR A-4 25 1 
ATOM 3856 H HB2 . TYR A-4 1 25 . 48.234 -6.338 -5.118 1 17.49 ? HB2 TYR A-4 25 1 
ATOM 3857 H HB3 . TYR A-4 1 25 . 49.071 -6.301 -6.47 1 17.49 ? HB3 TYR A-4 25 1 
ATOM 3858 H HD1 . TYR A-4 1 25 . 48.111 -7.033 -8.472 1 26.48 ? HD1 TYR A-4 25 1 
ATOM 3859 H HD2 . TYR A-4 1 25 . 46.116 -7.676 -5.097 1 18.97 ? HD2 TYR A-4 25 1 
ATOM 3860 H HE1 . TYR A-4 1 25 . 46.268 -7.703 -9.701 1 27.13 ? HE1 TYR A-4 25 1 
ATOM 3861 H HE2 . TYR A-4 1 25 . 44.243 -8.359 -6.319 1 21.99 ? HE2 TYR A-4 25 1 
ATOM 3862 H HH . TYR A-4 1 25 . 44.177 -8.45 -9.687 1 29.74 ? HH TYR A-4 25 1 
ATOM 3863 N N . LEU A-4 1 26 . 51.763 -7.752 -5.357 1 12.73 ? N LEU A-4 26 1 
ATOM 3864 C CA . LEU A-4 1 26 . 53.051 -7.324 -4.852 1 12.91 ? CA LEU A-4 26 1 
ATOM 3865 C C . LEU A-4 1 26 . 53.419 -5.97 -5.375 1 12.93 ? C LEU A-4 26 1 
ATOM 3866 O O . LEU A-4 1 26 . 52.953 -5.51 -6.435 1 14.71 ? O LEU A-4 26 1 
ATOM 3867 C CB . LEU A-4 1 26 . 54.122 -8.341 -5.205 1 13.45 ? CB LEU A-4 26 1 
ATOM 3868 C CG . LEU A-4 1 26 . 53.864 -9.77 -4.815 1 14.26 ? CG LEU A-4 26 1 
ATOM 3869 C CD1 . LEU A-4 1 26 . 55.053 -10.645 -5.122 1 17.71 ? CD1 LEU A-4 26 1 
ATOM 3870 C CD2 . LEU A-4 1 26 . 53.481 -9.853 -3.286 1 16.44 ? CD2 LEU A-4 26 1 
ATOM 3871 H H . LEU A-4 1 26 . 51.817 -8.174 -6.104 1 15.27 ? H LEU A-4 26 1 
ATOM 3872 H HA . LEU A-4 1 26 . 53.005 -7.266 -3.885 1 15.49 ? HA LEU A-4 26 1 
ATOM 3873 H HB2 . LEU A-4 1 26 . 54.246 -8.326 -6.167 1 16.13 ? HB2 LEU A-4 26 1 
ATOM 3874 H HB3 . LEU A-4 1 26 . 54.947 -8.072 -4.773 1 16.13 ? HB3 LEU A-4 26 1 
ATOM 3875 H HG . LEU A-4 1 26 . 53.111 -10.103 -5.328 1 17.11 ? HG LEU A-4 26 1 
ATOM 3876 H HD11 . LEU A-4 1 26 . 55.82 -10.319 -4.627 1 21.26 ? HD11 LEU A-4 26 1 
ATOM 3877 H HD12 . LEU A-4 1 26 . 54.851 -11.556 -4.858 1 21.26 ? HD12 LEU A-4 26 1 
ATOM 3878 H HD13 . LEU A-4 1 26 . 55.234 -10.608 -6.075 1 21.26 ? HD13 LEU A-4 26 1 
ATOM 3879 H HD21 . LEU A-4 1 26 . 54.214 -9.502 -2.758 1 19.73 ? HD21 LEU A-4 26 1 
ATOM 3880 H HD22 . LEU A-4 1 26 . 52.68 -9.327 -3.132 1 19.73 ? HD22 LEU A-4 26 1 
ATOM 3881 H HD23 . LEU A-4 1 26 . 53.318 -10.78 -3.052 1 19.73 ? HD23 LEU A-4 26 1 
ATOM 3882 N N . VAL A-4 1 27 . 54.28 -5.297 -4.645 1 13.67 ? N VAL A-4 27 1 
ATOM 3883 C CA . VAL A-4 1 27 . 54.708 -3.953 -5.023 1 14.61 ? CA VAL A-4 27 1 
ATOM 3884 C C . VAL A-4 1 27 . 55.393 -3.958 -6.412 1 15.34 ? C VAL A-4 27 1 
ATOM 3885 O O . VAL A-4 1 27 . 55.294 -3.03 -7.16 1 20.22 ? O VAL A-4 27 1 
ATOM 3886 C CB . VAL A-4 1 27 . 55.59 -3.326 -3.943 1 15.92 ? CB VAL A-4 27 1 
ATOM 3887 C CG1 . VAL A-4 1 27 . 54.786 -3.103 -2.67 1 17.55 ? CG1 VAL A-4 27 1 
ATOM 3888 C CG2 . VAL A-4 1 27 . 56.858 -4.134 -3.654 1 20.58 ? CG2 VAL A-4 27 1 
ATOM 3889 H H . VAL A-4 1 27 . 54.638 -5.59 -3.92 1 16.41 ? H VAL A-4 27 1 
ATOM 3890 H HA . VAL A-4 1 27 . 53.917 -3.397 -5.1 1 17.53 ? HA VAL A-4 27 1 
ATOM 3891 H HB . VAL A-4 1 27 . 55.875 -2.454 -4.257 1 19.11 ? HB VAL A-4 27 1 
ATOM 3892 H HG11 . VAL A-4 1 27 . 55.362 -2.706 -1.998 1 21.06 ? HG11 VAL A-4 27 1 
ATOM 3893 H HG12 . VAL A-4 1 27 . 54.046 -2.508 -2.865 1 21.06 ? HG12 VAL A-4 27 1 
ATOM 3894 H HG13 . VAL A-4 1 27 . 54.45 -3.957 -2.355 1 21.06 ? HG13 VAL A-4 27 1 
ATOM 3895 H HG21 . VAL A-4 1 27 . 57.368 -3.684 -2.963 1 24.7 ? HG21 VAL A-4 27 1 
ATOM 3896 H HG22 . VAL A-4 1 27 . 56.604 -5.021 -3.353 1 24.7 ? HG22 VAL A-4 27 1 
ATOM 3897 H HG23 . VAL A-4 1 27 . 57.383 -4.198 -4.467 1 24.7 ? HG23 VAL A-4 27 1 
ATOM 3898 N N . ASN A-4 1 28 . 55.982 -5.045 -6.799 1 14.21 ? N ASN A-4 28 1 
ATOM 3899 C CA . ASN A-4 1 28 . 56.653 -5.134 -8.115 1 15.41 ? CA ASN A-4 28 1 
ATOM 3900 C C . ASN A-4 1 28 . 55.73 -5.531 -9.263 1 16.03 ? C ASN A-4 28 1 
ATOM 3901 O O . ASN A-4 1 28 . 56.219 -5.679 -10.38 1 17.78 ? O ASN A-4 28 1 
ATOM 3902 C CB . ASN A-4 1 28 . 57.804 -6.07 -8.047 1 16.33 ? CB ASN A-4 28 1 
ATOM 3903 C CG . ASN A-4 1 28 . 57.393 -7.519 -7.78 1 16.79 ? CG ASN A-4 28 1 
ATOM 3904 O OD1 . ASN A-4 1 28 . 56.214 -7.891 -7.871 1 16.82 ? OD1 ASN A-4 28 1 
ATOM 3905 N ND2 . ASN A-4 1 28 . 58.385 -8.364 -7.442 1 18.73 ? ND2 ASN A-4 28 1 
ATOM 3906 H H . ASN A-4 1 28 . 56.024 -5.767 -6.334 1 17.05 ? H ASN A-4 28 1 
ATOM 3907 H HA . ASN A-4 1 28 . 57.01 -4.258 -8.328 1 18.49 ? HA ASN A-4 28 1 
ATOM 3908 H HB2 . ASN A-4 1 28 . 58.279 -6.046 -8.892 1 19.6 ? HB2 ASN A-4 28 1 
ATOM 3909 H HB3 . ASN A-4 1 28 . 58.394 -5.79 -7.329 1 19.6 ? HB3 ASN A-4 28 1 
ATOM 3910 H HD21 . ASN A-4 1 28 . 58.21 -9.191 -7.281 1 22.47 ? HD21 ASN A-4 28 1 
ATOM 3911 H HD22 . ASN A-4 1 28 . 59.194 -8.078 -7.387 1 22.47 ? HD22 ASN A-4 28 1 
ATOM 3912 N N . GLY A-4 1 29 . 54.439 -5.614 -8.993 1 16.16 ? N GLY A-4 29 1 
ATOM 3913 C CA . GLY A-4 1 29 . 53.456 -5.815 -10.019 1 18.2 ? CA GLY A-4 29 1 
ATOM 3914 C C . GLY A-4 1 29 . 53.014 -7.231 -10.205 1 18.41 ? C GLY A-4 29 1 
ATOM 3915 O O . GLY A-4 1 29 . 52.077 -7.447 -10.933 1 22.58 ? O GLY A-4 29 1 
ATOM 3916 H H . GLY A-4 1 29 . 54.108 -5.555 -8.202 1 19.39 ? H GLY A-4 29 1 
ATOM 3917 H HA2 . GLY A-4 1 29 . 52.671 -5.284 -9.81 1 21.84 ? HA2 GLY A-4 29 1 
ATOM 3918 H HA3 . GLY A-4 1 29 . 53.814 -5.501 -10.863 1 21.84 ? HA3 GLY A-4 29 1 
ATOM 3919 N N . ILE A-4 1 30 . 53.654 -8.187 -9.545 1 16.66 ? N ILE A-4 30 1 
ATOM 3920 C CA . ILE A-4 1 30 . 53.22 -9.563 -9.634 1 16.63 ? CA ILE A-4 30 1 
ATOM 3921 C C . ILE A-4 1 30 . 51.966 -9.775 -8.863 1 15.78 ? C ILE A-4 30 1 
ATOM 3922 O O . ILE A-4 1 30 . 51.794 -9.252 -7.776 1 17.66 ? O ILE A-4 30 1 
ATOM 3923 C CB . ILE A-4 1 30 . 54.319 -10.452 -9.125 1 17.79 ? CB ILE A-4 30 1 
ATOM 3924 C CG1 . ILE A-4 1 30 . 55.538 -10.347 -10.066 1 21.3 ? CG1 ILE A-4 30 1 
ATOM 3925 C CG2 . ILE A-4 1 30 . 53.861 -11.885 -8.916 1 21.12 ? CG2 ILE A-4 30 1 
ATOM 3926 C CD1 . ILE A-4 1 30 . 56.761 -11.125 -9.633 1 24.57 ? CD1 ILE A-4 30 1 
ATOM 3927 H H . ILE A-4 1 30 . 54.339 -8.061 -9.041 1 19.99 ? H ILE A-4 30 1 
ATOM 3928 H HA . ILE A-4 1 30 . 53.049 -9.788 -10.562 1 19.96 ? HA ILE A-4 30 1 
ATOM 3929 H HB . ILE A-4 1 30 . 54.591 -10.108 -8.26 1 21.34 ? HB ILE A-4 30 1 
ATOM 3930 H HG12 . ILE A-4 1 30 . 55.279 -10.674 -10.942 1 25.56 ? HG12 ILE A-4 30 1 
ATOM 3931 H HG13 . ILE A-4 1 30 . 55.795 -9.414 -10.132 1 25.56 ? HG13 ILE A-4 30 1 
ATOM 3932 H HG21 . ILE A-4 1 30 . 53.55 -12.243 -9.762 1 25.34 ? HG21 ILE A-4 30 1 
ATOM 3933 H HG22 . ILE A-4 1 30 . 54.608 -12.41 -8.588 1 25.34 ? HG22 ILE A-4 30 1 
ATOM 3934 H HG23 . ILE A-4 1 30 . 53.14 -11.894 -8.267 1 25.34 ? HG23 ILE A-4 30 1 
ATOM 3935 H HD11 . ILE A-4 1 30 . 57.049 -10.802 -8.765 1 29.49 ? HD11 ILE A-4 30 1 
ATOM 3936 H HD12 . ILE A-4 1 30 . 56.532 -12.066 -9.577 1 29.49 ? HD12 ILE A-4 30 1 
ATOM 3937 H HD13 . ILE A-4 1 30 . 57.466 -10.994 -10.286 1 29.49 ? HD13 ILE A-4 30 1 
ATOM 3938 N N . LYS A-4 1 31 . 51.111 -10.621 -9.384 1 16.58 ? N LYS A-4 31 1 
ATOM 3939 C CA . LYS A-4 1 31 . 49.9 -11.09 -8.751 1 16.83 ? CA LYS A-4 31 1 
ATOM 3940 C C . LYS A-4 1 31 . 50.029 -12.521 -8.307 1 15.34 ? C LYS A-4 31 1 
ATOM 3941 O O . LYS A-4 1 31 . 50.242 -13.378 -9.165 1 19.53 ? O LYS A-4 31 1 
ATOM 3942 C CB . LYS A-4 1 31 . 48.618 -10.788 -9.59 1 21.62 ? CB LYS A-4 31 1 
ATOM 3943 C CG . LYS A-4 1 31 . 47.363 -11.42 -9.027 1 26.44 ? CG LYS A-4 31 1 
ATOM 3944 C CD . LYS A-4 1 31 . 46.193 -11.235 -9.988 1 31.53 ? CD LYS A-4 31 1 
ATOM 3945 C CE . LYS A-4 1 31 . 45.318 -12.437 -9.981 1 35.78 ? CE LYS A-4 31 1 
ATOM 3946 N NZ . LYS A-4 1 31 . 44.177 -12.298 -10.904 1 37.39 ? NZ LYS A-4 31 1 
ATOM 3947 H H . LYS A-4 1 31 . 51.221 -10.963 -10.165 1 19.89 ? H LYS A-4 31 1 
ATOM 3948 H HA . LYS A-4 1 31 . 49.964 -11.619 -9.562 1 20.2 ? HA LYS A-4 31 1 
ATOM 3949 H HB2 . LYS A-4 1 31 . 48.481 -9.828 -9.617 1 25.95 ? HB2 LYS A-4 31 1 
ATOM 3950 H HB3 . LYS A-4 1 31 . 48.745 -11.128 -10.489 1 25.95 ? HB3 LYS A-4 31 1 
ATOM 3951 H HG2 . LYS A-4 1 31 . 47.508 -12.371 -8.9 1 31.73 ? HG2 LYS A-4 31 1 
ATOM 3952 H HG3 . LYS A-4 1 31 . 47.137 -10.996 -8.184 1 31.73 ? HG3 LYS A-4 31 1 
ATOM 3953 H HD2 . LYS A-4 1 31 . 45.666 -10.469 -9.712 1 37.84 ? HD2 LYS A-4 31 1 
ATOM 3954 H HD3 . LYS A-4 1 31 . 46.531 -11.107 -10.888 1 37.84 ? HD3 LYS A-4 31 1 
ATOM 3955 H HE2 . LYS A-4 1 31 . 45.836 -13.21 -10.256 1 42.93 ? HE2 LYS A-4 31 1 
ATOM 3956 H HE3 . LYS A-4 1 31 . 44.967 -12.571 -9.086 1 42.93 ? HE3 LYS A-4 31 1 
ATOM 3957 H HZ1 . LYS A-4 1 31 . 43.673 -13.031 -10.878 1 44.87 ? HZ1 LYS A-4 31 1 
ATOM 3958 H HZ2 . LYS A-4 1 31 . 43.681 -11.597 -10.671 1 44.87 ? HZ2 LYS A-4 31 1 
ATOM 3959 H HZ3 . LYS A-4 1 31 . 44.472 -12.179 -11.736 1 44.87 ? HZ3 LYS A-4 31 1 
ATOM 3960 N N . LEU A-4 1 32 . 49.884 -12.794 -7.022 1 13.93 ? N LEU A-4 32 1 
ATOM 3961 C CA . LEU A-4 1 32 . 49.818 -14.137 -6.475 1 14.17 ? CA LEU A-4 32 1 
ATOM 3962 C C . LEU A-4 1 32 . 48.354 -14.493 -6.202 1 14.52 ? C LEU A-4 32 1 
ATOM 3963 O O . LEU A-4 1 32 . 47.559 -13.607 -5.896 1 16.03 ? O LEU A-4 32 1 
ATOM 3964 C CB . LEU A-4 1 32 . 50.611 -14.243 -5.174 1 14.68 ? CB LEU A-4 32 1 
ATOM 3965 C CG . LEU A-4 1 32 . 52.038 -13.725 -5.178 1 15.54 ? CG LEU A-4 32 1 
ATOM 3966 C CD1 . LEU A-4 1 32 . 52.646 -13.807 -3.801 1 16.74 ? CD1 LEU A-4 32 1 
ATOM 3967 C CD2 . LEU A-4 1 32 . 52.869 -14.496 -6.162 1 18.43 ? CD2 LEU A-4 32 1 
ATOM 3968 H H . LEU A-4 1 32 . 49.817 -12.185 -6.418 1 16.72 ? H LEU A-4 32 1 
ATOM 3969 H HA . LEU A-4 1 32 . 50.18 -14.77 -7.114 1 17 ? HA LEU A-4 32 1 
ATOM 3970 H HB2 . LEU A-4 1 32 . 50.132 -13.749 -4.49 1 17.62 ? HB2 LEU A-4 32 1 
ATOM 3971 H HB3 . LEU A-4 1 32 . 50.649 -15.179 -4.922 1 17.62 ? HB3 LEU A-4 32 1 
ATOM 3972 H HG . LEU A-4 1 32 . 52.036 -12.794 -5.451 1 18.65 ? HG LEU A-4 32 1 
ATOM 3973 H HD11 . LEU A-4 1 32 . 53.555 -13.47 -3.838 1 20.09 ? HD11 LEU A-4 32 1 
ATOM 3974 H HD12 . LEU A-4 1 32 . 52.118 -13.269 -3.191 1 20.09 ? HD12 LEU A-4 32 1 
ATOM 3975 H HD13 . LEU A-4 1 32 . 52.648 -14.732 -3.512 1 20.09 ? HD13 LEU A-4 32 1 
ATOM 3976 H HD21 . LEU A-4 1 32 . 53.775 -14.15 -6.149 1 22.11 ? HD21 LEU A-4 32 1 
ATOM 3977 H HD22 . LEU A-4 1 32 . 52.869 -15.432 -5.91 1 22.11 ? HD22 LEU A-4 32 1 
ATOM 3978 H HD23 . LEU A-4 1 32 . 52.487 -14.391 -7.048 1 22.11 ? HD23 LEU A-4 32 1 
ATOM 3979 N N . GLN A-4 1 33 . 47.987 -15.762 -6.294 1 15.66 ? N GLN A-4 33 1 
ATOM 3980 C CA . GLN A-4 1 33 . 46.629 -16.193 -5.963 1 16.64 ? CA GLN A-4 33 1 
ATOM 3981 C C . GLN A-4 1 33 . 46.669 -17.484 -5.188 1 16.08 ? C GLN A-4 33 1 
ATOM 3982 O O . GLN A-4 1 33 . 47.515 -18.352 -5.449 1 19.17 ? O GLN A-4 33 1 
ATOM 3983 C CB . GLN A-4 1 33 . 45.832 -16.406 -7.241 1 20.75 ? CB GLN A-4 33 1 
ATOM 3984 C CG . GLN A-4 1 33 . 45.532 -15.15 -7.932 1 25.88 ? CG GLN A-4 33 1 
ATOM 3985 C CD . GLN A-4 1 33 . 44.675 -15.397 -9.133 1 33.78 ? CD GLN A-4 33 1 
ATOM 3986 O OE1 . GLN A-4 1 33 . 45.144 -15.937 -10.127 0.5 33.88 ? OE1 GLN A-4 33 1 
ATOM 3987 N NE2 . GLN A-4 1 33 . 43.395 -15.033 -9.045 1 38.98 ? NE2 GLN A-4 33 1 
ATOM 3988 H H . GLN A-4 1 33 . 48.505 -16.4 -6.548 1 18.79 ? H GLN A-4 33 1 
ATOM 3989 H HA . GLN A-4 1 33 . 46.189 -15.516 -5.426 1 19.96 ? HA GLN A-4 33 1 
ATOM 3990 H HB2 . GLN A-4 1 33 . 46.345 -16.966 -7.844 1 24.9 ? HB2 GLN A-4 33 1 
ATOM 3991 H HB3 . GLN A-4 1 33 . 44.991 -16.837 -7.021 1 24.9 ? HB3 GLN A-4 33 1 
ATOM 3992 H HG2 . GLN A-4 1 33 . 45.053 -14.558 -7.33 1 31.06 ? HG2 GLN A-4 33 1 
ATOM 3993 H HG3 . GLN A-4 1 33 . 46.359 -14.737 -8.225 1 31.06 ? HG3 GLN A-4 33 1 
ATOM 3994 H HE21 . GLN A-4 1 33 . 43.098 -14.675 -8.322 1 46.78 ? HE21 GLN A-4 33 1 
ATOM 3995 H HE22 . GLN A-4 1 33 . 42.866 -15.157 -9.712 1 46.78 ? HE22 GLN A-4 33 1 
ATOM 3996 N N . GLY A-4 1 34 . 45.786 -17.582 -4.221 1 14.64 ? N GLY A-4 34 1 
ATOM 3997 C CA . GLY A-4 1 34 . 45.684 -18.795 -3.45 1 16.49 ? CA GLY A-4 34 1 
ATOM 3998 C C . GLY A-4 1 34 . 44.85 -18.574 -2.207 1 14.51 ? C GLY A-4 34 1 
ATOM 3999 O O . GLY A-4 1 34 . 44.062 -17.652 -2.134 1 17.5 ? O GLY A-4 34 1 
ATOM 4000 H H . GLY A-4 1 34 . 45.235 -16.963 -3.991 1 17.57 ? H GLY A-4 34 1 
ATOM 4001 H HA2 . GLY A-4 1 34 . 45.27 -19.49 -3.985 1 19.78 ? HA2 GLY A-4 34 1 
ATOM 4002 H HA3 . GLY A-4 1 34 . 46.569 -19.091 -3.184 1 19.78 ? HA3 GLY A-4 34 1 
ATOM 4003 N N . GLN A-4 1 35 . 44.999 -19.428 -1.236 1 14.44 ? N GLN A-4 35 1 
ATOM 4004 C CA . GLN A-4 1 35 . 44.303 -19.311 0.042 1 14.41 ? CA GLN A-4 35 1 
ATOM 4005 C C . GLN A-4 1 35 . 45.327 -19.041 1.108 1 13.95 ? C GLN A-4 35 1 
ATOM 4006 O O . GLN A-4 1 35 . 46.438 -19.58 1.062 1 15.12 ? O GLN A-4 35 1 
ATOM 4007 C CB . GLN A-4 1 35 . 43.497 -20.547 0.362 1 15.96 ? CB GLN A-4 35 1 
ATOM 4008 C CG . GLN A-4 1 35 . 42.294 -20.696 -0.57 1 16.96 ? CG GLN A-4 35 1 
ATOM 4009 C CD . GLN A-4 1 35 . 41.821 -22.143 -0.595 1 19.36 ? CD GLN A-4 35 1 
ATOM 4010 O OE1 . GLN A-4 1 35 . 42.592 -23.073 -0.967 0.58 17.85 ? OE1 GLN A-4 35 1 
ATOM 4011 N NE2 . GLN A-4 1 35 . 40.599 -22.391 -0.178 1 21.28 ? NE2 GLN A-4 35 1 
ATOM 4012 H H . GLN A-4 1 35 . 45.515 -20.114 -1.281 1 17.32 ? H GLN A-4 35 1 
ATOM 4013 H HA . GLN A-4 1 35 . 43.696 -18.556 0.007 1 17.3 ? HA GLN A-4 35 1 
ATOM 4014 H HB2 . GLN A-4 1 35 . 44.06 -21.331 0.258 1 19.15 ? HB2 GLN A-4 35 1 
ATOM 4015 H HB3 . GLN A-4 1 35 . 43.169 -20.488 1.273 1 19.15 ? HB3 GLN A-4 35 1 
ATOM 4016 H HG2 . GLN A-4 1 35 . 41.566 -20.14 -0.251 1 20.35 ? HG2 GLN A-4 35 1 
ATOM 4017 H HG3 . GLN A-4 1 35 . 42.548 -20.44 -1.471 1 20.35 ? HG3 GLN A-4 35 1 
ATOM 4018 H HE21 . GLN A-4 1 35 . 40.3 -23.198 -0.179 1 25.53 ? HE21 GLN A-4 35 1 
ATOM 4019 H HE22 . GLN A-4 1 35 . 40.099 -21.747 0.095 1 25.53 ? HE22 GLN A-4 35 1 
ATOM 4020 N N . ILE A-4 1 36 . 44.982 -18.212 2.07 1 13.51 ? N ILE A-4 36 1 
ATOM 4021 C CA . ILE A-4 1 36 . 45.862 -17.922 3.191 1 13.64 ? CA ILE A-4 36 1 
ATOM 4022 C C . ILE A-4 1 36 . 45.836 -19.078 4.138 1 13.68 ? C ILE A-4 36 1 
ATOM 4023 O O . ILE A-4 1 36 . 44.79 -19.341 4.74 1 17 ? O ILE A-4 36 1 
ATOM 4024 C CB . ILE A-4 1 36 . 45.524 -16.619 3.855 1 14.86 ? CB ILE A-4 36 1 
ATOM 4025 C CG1 . ILE A-4 1 36 . 45.755 -15.471 2.841 1 16.12 ? CG1 ILE A-4 36 1 
ATOM 4026 C CG2 . ILE A-4 1 36 . 46.312 -16.426 5.107 1 15.07 ? CG2 ILE A-4 36 1 
ATOM 4027 C CD1 . ILE A-4 1 36 . 45.369 -14.106 3.327 1 19.44 ? CD1 ILE A-4 36 1 
ATOM 4028 H H . ILE A-4 1 36 . 44.23 -17.795 2.101 1 16.21 ? H ILE A-4 36 1 
ATOM 4029 H HA . ILE A-4 1 36 . 46.769 -17.846 2.855 1 16.37 ? HA ILE A-4 36 1 
ATOM 4030 H HB . ILE A-4 1 36 . 44.583 -16.632 4.089 1 17.83 ? HB ILE A-4 36 1 
ATOM 4031 H HG12 . ILE A-4 1 36 . 46.698 -15.445 2.615 1 19.34 ? HG12 ILE A-4 36 1 
ATOM 4032 H HG13 . ILE A-4 1 36 . 45.235 -15.655 2.043 1 19.34 ? HG13 ILE A-4 36 1 
ATOM 4033 H HG21 . ILE A-4 1 36 . 46.112 -17.15 5.721 1 18.08 ? HG21 ILE A-4 36 1 
ATOM 4034 H HG22 . ILE A-4 1 36 . 47.257 -16.429 4.889 1 18.08 ? HG22 ILE A-4 36 1 
ATOM 4035 H HG23 . ILE A-4 1 36 . 46.067 -15.577 5.507 1 18.08 ? HG23 ILE A-4 36 1 
ATOM 4036 H HD11 . ILE A-4 1 36 . 45.55 -13.459 2.627 1 23.33 ? HD11 ILE A-4 36 1 
ATOM 4037 H HD12 . ILE A-4 1 36 . 44.424 -14.104 3.544 1 23.33 ? HD12 ILE A-4 36 1 
ATOM 4038 H HD13 . ILE A-4 1 36 . 45.891 -13.893 4.117 1 23.33 ? HD13 ILE A-4 36 1 
ATOM 4039 N N . GLU A-4 1 37 . 46.961 -19.74 4.317 1 14 ? N GLU A-4 37 1 
ATOM 4040 C CA . GLU A-4 1 37 . 47.06 -20.841 5.242 1 16.02 ? CA GLU A-4 37 1 
ATOM 4041 C C . GLU A-4 1 37 . 47.285 -20.335 6.661 1 14.83 ? C GLU A-4 37 1 
ATOM 4042 O O . GLU A-4 1 37 . 46.746 -20.888 7.623 1 16.69 ? O GLU A-4 37 1 
ATOM 4043 C CB . GLU A-4 1 37 . 48.243 -21.754 4.864 1 22.02 ? CB GLU A-4 37 1 
ATOM 4044 C CG . GLU A-4 1 37 . 48.478 -22.873 5.879 1 33.9 ? CG GLU A-4 37 1 
ATOM 4045 C CD . GLU A-4 1 37 . 49.659 -23.776 5.558 1 50.18 ? CD GLU A-4 37 1 
ATOM 4046 O OE1 . GLU A-4 1 37 . 49.977 -24.641 6.397 1 62.78 ? OE1 GLU A-4 37 1 
ATOM 4047 O OE2 . GLU A-4 1 37 . 50.275 -23.622 4.488 0.61 48.69 ? OE2 GLU A-4 37 1 
ATOM 4048 H H . GLU A-4 1 37 . 47.695 -19.564 3.904 1 16.8 ? H GLU A-4 37 1 
ATOM 4049 H HA . GLU A-4 1 37 . 46.243 -21.363 5.222 1 19.23 ? HA GLU A-4 37 1 
ATOM 4050 H HB2 . GLU A-4 1 37 . 48.062 -22.163 4.003 1 26.43 ? HB2 GLU A-4 37 1 
ATOM 4051 H HB3 . GLU A-4 1 37 . 49.051 -21.219 4.814 1 26.43 ? HB3 GLU A-4 37 1 
ATOM 4052 H HG2 . GLU A-4 1 37 . 48.641 -22.474 6.748 1 40.68 ? HG2 GLU A-4 37 1 
ATOM 4053 H HG3 . GLU A-4 1 37 . 47.684 -23.429 5.918 1 40.68 ? HG3 GLU A-4 37 1 
ATOM 4054 N N . SER A-4 1 38 . 48.121 -19.311 6.803 1 14.39 ? N SER A-4 38 1 
ATOM 4055 C CA . SER A-4 1 38 . 48.521 -18.796 8.075 1 14.93 ? CA SER A-4 38 1 
ATOM 4056 C C . SER A-4 1 38 . 49.22 -17.45 7.831 1 13.7 ? C SER A-4 38 1 
ATOM 4057 O O . SER A-4 1 38 . 49.566 -17.117 6.695 1 13.45 ? O SER A-4 38 1 
ATOM 4058 C CB . SER A-4 1 38 . 49.454 -19.723 8.835 1 18.64 ? CB SER A-4 38 1 
ATOM 4059 O OG . SER A-4 1 38 . 50.51 -20.056 8.033 1 24.13 ? OG SER A-4 38 1 
ATOM 4060 H H . SER A-4 1 38 . 48.475 -18.892 6.141 1 17.27 ? H SER A-4 38 1 
ATOM 4061 H HA . SER A-4 1 38 . 47.734 -18.639 8.621 1 17.91 ? HA SER A-4 38 1 
ATOM 4062 H HB2 . SER A-4 1 38 . 49.783 -19.269 9.626 1 22.37 ? HB2 SER A-4 38 1 
ATOM 4063 H HB3 . SER A-4 1 38 . 48.973 -20.528 9.083 1 22.37 ? HB3 SER A-4 38 1 
ATOM 4064 H HG . SER A-4 1 38 . 51.032 -20.569 8.445 1 28.96 ? HG SER A-4 38 1 
ATOM 4065 N N . PHE A-4 1 39 . 49.432 -16.713 8.916 1 13.66 ? N PHE A-4 39 1 
ATOM 4066 C CA . PHE A-4 1 39 . 50.15 -15.446 8.81 1 12.9 ? CA PHE A-4 39 1 
ATOM 4067 C C . PHE A-4 1 39 . 50.687 -15.127 10.192 1 13.34 ? C PHE A-4 39 1 
ATOM 4068 O O . PHE A-4 1 39 . 50.214 -15.636 11.194 1 15.13 ? O PHE A-4 39 1 
ATOM 4069 C CB . PHE A-4 1 39 . 49.251 -14.324 8.257 1 13.35 ? CB PHE A-4 39 1 
ATOM 4070 C CG . PHE A-4 1 39 . 48.1 -13.997 9.142 1 13.99 ? CG PHE A-4 39 1 
ATOM 4071 C CD1 . PHE A-4 1 39 . 46.919 -14.747 9.04 1 15.87 ? CD1 PHE A-4 39 1 
ATOM 4072 C CD2 . PHE A-4 1 39 . 48.202 -12.979 10.112 1 15.48 ? CD2 PHE A-4 39 1 
ATOM 4073 C CE1 . PHE A-4 1 39 . 45.86 -14.461 9.901 1 17.63 ? CE1 PHE A-4 39 1 
ATOM 4074 C CE2 . PHE A-4 1 39 . 47.135 -12.676 10.916 1 19.03 ? CE2 PHE A-4 39 1 
ATOM 4075 C CZ . PHE A-4 1 39 . 45.969 -13.421 10.82 1 19.28 ? CZ PHE A-4 39 1 
ATOM 4076 H H . PHE A-4 1 39 . 49.177 -16.917 9.711 1 16.39 ? H PHE A-4 39 1 
ATOM 4077 H HA . PHE A-4 1 39 . 50.903 -15.555 8.208 1 15.48 ? HA PHE A-4 39 1 
ATOM 4078 H HB2 . PHE A-4 1 39 . 49.782 -13.52 8.151 1 16.02 ? HB2 PHE A-4 39 1 
ATOM 4079 H HB3 . PHE A-4 1 39 . 48.896 -14.601 7.398 1 16.02 ? HB3 PHE A-4 39 1 
ATOM 4080 H HD1 . PHE A-4 1 39 . 46.851 -15.437 8.42 1 19.05 ? HD1 PHE A-4 39 1 
ATOM 4081 H HD2 . PHE A-4 1 39 . 48.982 -12.475 10.171 1 18.58 ? HD2 PHE A-4 39 1 
ATOM 4082 H HE1 . PHE A-4 1 39 . 45.066 -14.939 9.833 1 21.16 ? HE1 PHE A-4 39 1 
ATOM 4083 H HE2 . PHE A-4 1 39 . 47.206 -12 11.551 1 22.84 ? HE2 PHE A-4 39 1 
ATOM 4084 H HZ . PHE A-4 1 39 . 45.254 -13.229 11.382 1 23.14 ? HZ PHE A-4 39 1 
ATOM 4085 N N . ASP A-4 1 40 . 51.668 -14.224 10.23 1 12.6 ? N ASP A-4 40 1 
ATOM 4086 C CA . ASP A-4 1 40 . 52.184 -13.72 11.466 1 13.4 ? CA ASP A-4 40 1 
ATOM 4087 C C . ASP A-4 1 40 . 52.495 -12.238 11.294 1 12.51 ? C ASP A-4 40 1 
ATOM 4088 O O . ASP A-4 1 40 . 51.987 -11.587 10.395 1 13.17 ? O ASP A-4 40 1 
ATOM 4089 C CB . ASP A-4 1 40 . 53.361 -14.555 11.988 1 13.97 ? CB ASP A-4 40 1 
ATOM 4090 C CG . ASP A-4 1 40 . 54.653 -14.417 11.2 1 13.85 ? CG ASP A-4 40 1 
ATOM 4091 O OD1 . ASP A-4 1 40 . 54.731 -13.551 10.323 1 14.8 ? OD1 ASP A-4 40 1 
ATOM 4092 O OD2 . ASP A-4 1 40 . 55.611 -15.171 11.516 1 15.52 ? OD2 ASP A-4 40 1 
ATOM 4093 H H . ASP A-4 1 40 . 52.046 -13.891 9.533 1 15.12 ? H ASP A-4 40 1 
ATOM 4094 H HA . ASP A-4 1 40 . 51.48 -13.784 12.13 1 16.08 ? HA ASP A-4 40 1 
ATOM 4095 H HB2 . ASP A-4 1 40 . 53.546 -14.287 12.902 1 16.77 ? HB2 ASP A-4 40 1 
ATOM 4096 H HB3 . ASP A-4 1 40 . 53.106 -15.491 11.97 1 16.77 ? HB3 ASP A-4 40 1 
ATOM 4097 N N . GLN A-4 1 41 . 53.289 -11.702 12.209 1 13.44 ? N GLN A-4 41 1 
ATOM 4098 C CA . GLN A-4 1 41 . 53.621 -10.318 12.155 1 13.9 ? CA GLN A-4 41 1 
ATOM 4099 C C . GLN A-4 1 41 . 54.162 -9.835 10.786 1 12.56 ? C GLN A-4 41 1 
ATOM 4100 O O . GLN A-4 1 41 . 53.815 -8.739 10.328 1 13.49 ? O GLN A-4 41 1 
ATOM 4101 C CB . GLN A-4 1 41 . 54.674 -10.063 13.239 1 16.07 ? CB GLN A-4 41 1 
ATOM 4102 C CG . GLN A-4 1 41 . 55.083 -8.651 13.316 1 17.95 ? CG GLN A-4 41 1 
ATOM 4103 C CD . GLN A-4 1 41 . 55.905 -8.413 14.518 1 19.09 ? CD GLN A-4 41 1 
ATOM 4104 O OE1 . GLN A-4 1 41 . 56.766 -9.238 14.916 1 20.15 ? OE1 GLN A-4 41 1 
ATOM 4105 N NE2 . GLN A-4 1 41 . 55.693 -7.264 15.119 1 20.8 ? NE2 GLN A-4 41 1 
ATOM 4106 H H . GLN A-4 1 41 . 53.641 -12.13 12.866 1 16.13 ? H GLN A-4 41 1 
ATOM 4107 H HA . GLN A-4 1 41 . 52.833 -9.794 12.37 1 16.68 ? HA GLN A-4 41 1 
ATOM 4108 H HB2 . GLN A-4 1 41 . 54.309 -10.317 14.101 1 19.28 ? HB2 GLN A-4 41 1 
ATOM 4109 H HB3 . GLN A-4 1 41 . 55.463 -10.593 13.043 1 19.28 ? HB3 GLN A-4 41 1 
ATOM 4110 H HG2 . GLN A-4 1 41 . 55.611 -8.424 12.534 1 21.54 ? HG2 GLN A-4 41 1 
ATOM 4111 H HG3 . GLN A-4 1 41 . 54.295 -8.089 13.368 1 21.54 ? HG3 GLN A-4 41 1 
ATOM 4112 H HE21 . GLN A-4 1 41 . 56.138 -7.06 15.826 1 24.96 ? HE21 GLN A-4 41 1 
ATOM 4113 H HE22 . GLN A-4 1 41 . 55.11 -6.716 14.805 1 24.96 ? HE22 GLN A-4 41 1 
ATOM 4114 N N . PHE A-4 1 42 . 55.034 -10.634 10.191 1 11.98 ? N PHE A-4 42 1 
ATOM 4115 C CA . PHE A-4 1 42 . 55.774 -10.214 9.014 1 11.84 ? CA PHE A-4 42 1 
ATOM 4116 C C . PHE A-4 1 42 . 55.455 -10.948 7.709 1 11.18 ? C PHE A-4 42 1 
ATOM 4117 O O . PHE A-4 1 42 . 55.859 -10.462 6.661 1 11.21 ? O PHE A-4 42 1 
ATOM 4118 C CB . PHE A-4 1 42 . 57.261 -10.279 9.276 1 12.28 ? CB PHE A-4 42 1 
ATOM 4119 C CG . PHE A-4 1 42 . 57.727 -9.29 10.315 1 12.96 ? CG PHE A-4 42 1 
ATOM 4120 C CD1 . PHE A-4 1 42 . 57.553 -7.922 10.128 1 15.43 ? CD1 PHE A-4 42 1 
ATOM 4121 C CD2 . PHE A-4 1 42 . 58.381 -9.717 11.443 1 14.45 ? CD2 PHE A-4 42 1 
ATOM 4122 C CE1 . PHE A-4 1 42 . 58.022 -7.021 11.067 1 16.69 ? CE1 PHE A-4 42 1 
ATOM 4123 C CE2 . PHE A-4 1 42 . 58.837 -8.793 12.378 1 17.13 ? CE2 PHE A-4 42 1 
ATOM 4124 C CZ . PHE A-4 1 42 . 58.635 -7.446 12.181 1 17.55 ? CZ PHE A-4 42 1 
ATOM 4125 H H . PHE A-4 1 42 . 55.218 -11.433 10.453 1 14.38 ? H PHE A-4 42 1 
ATOM 4126 H HA . PHE A-4 1 42 . 55.562 -9.28 8.86 1 14.21 ? HA PHE A-4 42 1 
ATOM 4127 H HB2 . PHE A-4 1 42 . 57.486 -11.169 9.589 1 14.74 ? HB2 PHE A-4 42 1 
ATOM 4128 H HB3 . PHE A-4 1 42 . 57.734 -10.09 8.451 1 14.74 ? HB3 PHE A-4 42 1 
ATOM 4129 H HD1 . PHE A-4 1 42 . 57.125 -7.611 9.363 1 18.52 ? HD1 PHE A-4 42 1 
ATOM 4130 H HD2 . PHE A-4 1 42 . 58.516 -10.626 11.585 1 17.34 ? HD2 PHE A-4 42 1 
ATOM 4131 H HE1 . PHE A-4 1 42 . 57.885 -6.11 10.938 1 20.03 ? HE1 PHE A-4 42 1 
ATOM 4132 H HE2 . PHE A-4 1 42 . 59.268 -9.089 13.148 1 20.56 ? HE2 PHE A-4 42 1 
ATOM 4133 H HZ . PHE A-4 1 42 . 58.942 -6.832 12.808 1 21.06 ? HZ PHE A-4 42 1 
ATOM 4134 N N . VAL A-4 1 43 . 54.82 -12.115 7.759 1 11.02 ? N VAL A-4 43 1 
ATOM 4135 C CA . VAL A-4 1 43 . 54.646 -12.926 6.571 1 11.27 ? CA VAL A-4 43 1 
ATOM 4136 C C . VAL A-4 1 43 . 53.226 -13.464 6.489 1 11.18 ? C VAL A-4 43 1 
ATOM 4137 O O . VAL A-4 1 43 . 52.49 -13.563 7.479 1 12.18 ? O VAL A-4 43 1 
ATOM 4138 C CB . VAL A-4 1 43 . 55.661 -14.107 6.479 1 11.68 ? CB VAL A-4 43 1 
ATOM 4139 C CG1 . VAL A-4 1 43 . 57.092 -13.607 6.579 1 12.51 ? CG1 VAL A-4 43 1 
ATOM 4140 C CG2 . VAL A-4 1 43 . 55.379 -15.194 7.512 1 13.82 ? CG2 VAL A-4 43 1 
ATOM 4141 H H . VAL A-4 1 43 . 54.482 -12.456 8.473 1 13.22 ? H VAL A-4 43 1 
ATOM 4142 H HA . VAL A-4 1 43 . 54.788 -12.362 5.794 1 13.53 ? HA VAL A-4 43 1 
ATOM 4143 H HB . VAL A-4 1 43 . 55.565 -14.516 5.605 1 14.02 ? HB VAL A-4 43 1 
ATOM 4144 H HG11 . VAL A-4 1 43 . 57.695 -14.364 6.519 1 15.01 ? HG11 VAL A-4 43 1 
ATOM 4145 H HG12 . VAL A-4 1 43 . 57.262 -12.989 5.851 1 15.01 ? HG12 VAL A-4 43 1 
ATOM 4146 H HG13 . VAL A-4 1 43 . 57.21 -13.156 7.43 1 15.01 ? HG13 VAL A-4 43 1 
ATOM 4147 H HG21 . VAL A-4 1 43 . 54.606 -14.936 8.038 1 16.59 ? HG21 VAL A-4 43 1 
ATOM 4148 H HG22 . VAL A-4 1 43 . 55.202 -16.028 7.051 1 16.59 ? HG22 VAL A-4 43 1 
ATOM 4149 H HG23 . VAL A-4 1 43 . 56.154 -15.291 8.088 1 16.59 ? HG23 VAL A-4 43 1 
ATOM 4150 N N . ILE A-4 1 44 . 52.874 -13.842 5.27 1 11.46 ? N ILE A-4 44 1 
ATOM 4151 C CA . ILE A-4 1 44 . 51.628 -14.556 4.962 1 11.67 ? CA ILE A-4 44 1 
ATOM 4152 C C . ILE A-4 1 44 . 52.075 -15.827 4.223 1 12 ? C ILE A-4 44 1 
ATOM 4153 O O . ILE A-4 1 44 . 52.839 -15.753 3.271 1 13.21 ? O ILE A-4 44 1 
ATOM 4154 C CB . ILE A-4 1 44 . 50.686 -13.707 4.095 1 12.35 ? CB ILE A-4 44 1 
ATOM 4155 C CG1 . ILE A-4 1 44 . 50.271 -12.427 4.877 1 13.04 ? CG1 ILE A-4 44 1 
ATOM 4156 C CG2 . ILE A-4 1 44 . 49.496 -14.514 3.664 1 14.26 ? CG2 ILE A-4 44 1 
ATOM 4157 C CD1 . ILE A-4 1 44 . 49.446 -11.46 4.065 1 13.83 ? CD1 ILE A-4 44 1 
ATOM 4158 H H . ILE A-4 1 44 . 53.356 -13.693 4.573 1 13.75 ? H ILE A-4 44 1 
ATOM 4159 H HA . ILE A-4 1 44 . 51.173 -14.805 5.781 1 14.01 ? HA ILE A-4 44 1 
ATOM 4160 H HB . ILE A-4 1 44 . 51.17 -13.432 3.301 1 14.83 ? HB ILE A-4 44 1 
ATOM 4161 H HG12 . ILE A-4 1 44 . 49.746 -12.689 5.649 1 15.65 ? HG12 ILE A-4 44 1 
ATOM 4162 H HG13 . ILE A-4 1 44 . 51.073 -11.964 5.166 1 15.65 ? HG13 ILE A-4 44 1 
ATOM 4163 H HG21 . ILE A-4 1 44 . 49.803 -15.277 3.149 1 17.12 ? HG21 ILE A-4 44 1 
ATOM 4164 H HG22 . ILE A-4 1 44 . 49.019 -14.817 4.452 1 17.12 ? HG22 ILE A-4 44 1 
ATOM 4165 H HG23 . ILE A-4 1 44 . 48.918 -13.957 3.119 1 17.12 ? HG23 ILE A-4 44 1 
ATOM 4166 H HD11 . ILE A-4 1 44 . 49.96 -11.177 3.292 1 16.6 ? HD11 ILE A-4 44 1 
ATOM 4167 H HD12 . ILE A-4 1 44 . 48.632 -11.904 3.777 1 16.6 ? HD12 ILE A-4 44 1 
ATOM 4168 H HD13 . ILE A-4 1 44 . 49.227 -10.692 4.616 1 16.6 ? HD13 ILE A-4 44 1 
ATOM 4169 N N . LEU A-4 1 45 . 51.534 -16.971 4.639 1 12.01 ? N LEU A-4 45 1 
ATOM 4170 C CA A LEU A-4 1 45 . 51.71 -18.215 3.943 0.36 15.21 ? CA LEU A-4 45 1 
ATOM 4171 C CA B LEU A-4 1 45 . 51.743 -18.223 3.972 0.64 12.39 ? CA LEU A-4 45 1 
ATOM 4172 C C . LEU A-4 1 45 . 50.577 -18.457 3.003 1 12.4 ? C LEU A-4 45 1 
ATOM 4173 O O . LEU A-4 1 45 . 49.423 -18.591 3.467 1 13.99 ? O LEU A-4 45 1 
ATOM 4174 C CB A LEU A-4 1 45 . 52.073 -19.42 4.793 0.36 18.76 ? CB LEU A-4 45 1 
ATOM 4175 C CB B LEU A-4 1 45 . 51.942 -19.402 4.938 0.64 13.42 ? CB LEU A-4 45 1 
ATOM 4176 C CG A LEU A-4 1 45 . 53.537 -19.7 5.105 0.36 22.53 ? CG LEU A-4 45 1 
ATOM 4177 C CG B LEU A-4 1 45 . 52.404 -20.699 4.257 0.64 20.63 ? CG LEU A-4 45 1 
ATOM 4178 C CD1 A LEU A-4 1 45 . 54.168 -18.543 5.791 0.36 23.31 ? CD1 LEU A-4 45 1 
ATOM 4179 C CD1 B LEU A-4 1 45 . 53.787 -20.509 3.608 0.64 22.98 ? CD1 LEU A-4 45 1 
ATOM 4180 C CD2 A LEU A-4 1 45 . 53.621 -20.981 5.92 0.36 24.44 ? CD2 LEU A-4 45 1 
ATOM 4181 C CD2 B LEU A-4 1 45 . 52.472 -21.823 5.223 0.64 22.95 ? CD2 LEU A-4 45 1 
ATOM 4182 H H . LEU A-4 1 45 . 51.037 -17.033 5.338 1 14.41 ? H LEU A-4 45 1 
ATOM 4183 H HA . LEU A-4 1 45 . 50.949 -18.357 4.521 0.36 14.86 ? HA LEU A-4 45 1 
ATOM 4184 H HB2 A LEU A-4 1 45 . 51.622 -19.323 5.647 0.36 22.52 ? HB2 LEU A-4 45 1 
ATOM 4185 H HB2 B LEU A-4 1 45 . 52.614 -19.157 5.594 0.64 16.11 ? HB2 LEU A-4 45 1 
ATOM 4186 H HB3 A LEU A-4 1 45 . 51.729 -20.209 4.346 0.36 22.52 ? HB3 LEU A-4 45 1 
ATOM 4187 H HB3 B LEU A-4 1 45 . 51.101 -19.585 5.384 0.64 16.11 ? HB3 LEU A-4 45 1 
ATOM 4188 H HG A LEU A-4 1 45 . 54.012 -19.846 4.272 0.36 27.04 ? HG LEU A-4 45 1 
ATOM 4189 H HG B LEU A-4 1 45 . 51.772 -20.936 3.561 0.64 24.76 ? HG LEU A-4 45 1 
ATOM 4190 H HD11 A LEU A-4 1 45 . 55.097 -18.754 5.974 0.36 27.97 ? HD11 LEU A-4 45 1 
ATOM 4191 H HD11 B LEU A-4 1 45 . 53.729 -19.804 2.944 0.64 27.58 ? HD11 LEU A-4 45 1 
ATOM 4192 H HD12 A LEU A-4 1 45 . 54.112 -17.766 5.214 0.36 27.97 ? HD12 LEU A-4 45 1 
ATOM 4193 H HD12 B LEU A-4 1 45 . 54.427 -20.265 4.295 0.64 27.58 ? HD12 LEU A-4 45 1 
ATOM 4194 H HD13 A LEU A-4 1 45 . 53.697 -18.374 6.621 0.36 27.97 ? HD13 LEU A-4 45 1 
ATOM 4195 H HD13 B LEU A-4 1 45 . 54.054 -21.34 3.186 0.64 27.58 ? HD13 LEU A-4 45 1 
ATOM 4196 H HD21 A LEU A-4 1 45 . 54.551 -21.165 6.123 0.36 29.33 ? HD21 LEU A-4 45 1 
ATOM 4197 H HD21 B LEU A-4 1 45 . 53.103 -21.597 5.925 0.64 27.54 ? HD21 LEU A-4 45 1 
ATOM 4198 H HD22 A LEU A-4 1 45 . 53.12 -20.864 6.743 0.36 29.33 ? HD22 LEU A-4 45 1 
ATOM 4199 H HD22 B LEU A-4 1 45 . 51.591 -21.966 5.603 0.64 27.54 ? HD22 LEU A-4 45 1 
ATOM 4200 H HD23 A LEU A-4 1 45 . 53.243 -21.709 5.403 0.36 29.33 ? HD23 LEU A-4 45 1 
ATOM 4201 H HD23 B LEU A-4 1 45 . 52.766 -22.621 4.758 0.64 27.54 ? HD23 LEU A-4 45 1 
ATOM 4202 N N . LEU A-4 1 46 . 50.831 -18.51 1.717 1 12.8 ? N LEU A-4 46 1 
ATOM 4203 C CA . LEU A-4 1 46 . 49.825 -18.59 0.661 1 12.37 ? CA LEU A-4 46 1 
ATOM 4204 C C . LEU A-4 1 46 . 49.903 -19.955 0.002 1 12.95 ? C LEU A-4 46 1 
ATOM 4205 O O . LEU A-4 1 46 . 50.929 -20.328 -0.56 1 13.89 ? O LEU A-4 46 1 
ATOM 4206 C CB . LEU A-4 1 46 . 50.059 -17.518 -0.372 1 13.24 ? CB LEU A-4 46 1 
ATOM 4207 C CG . LEU A-4 1 46 . 48.959 -17.339 -1.412 1 14.45 ? CG LEU A-4 46 1 
ATOM 4208 C CD1 . LEU A-4 1 46 . 47.679 -16.792 -0.848 1 15.35 ? CD1 LEU A-4 46 1 
ATOM 4209 C CD2 . LEU A-4 1 46 . 49.479 -16.519 -2.557 1 16.85 ? CD2 LEU A-4 46 1 
ATOM 4210 H H . LEU A-4 1 46 . 51.631 -18.5 1.403 1 15.36 ? H LEU A-4 46 1 
ATOM 4211 H HA . LEU A-4 1 46 . 48.939 -18.474 1.04 1 14.85 ? HA LEU A-4 46 1 
ATOM 4212 H HB2 . LEU A-4 1 46 . 50.164 -16.67 0.087 1 15.88 ? HB2 LEU A-4 46 1 
ATOM 4213 H HB3 . LEU A-4 1 46 . 50.877 -17.728 -0.85 1 15.88 ? HB3 LEU A-4 46 1 
ATOM 4214 H HG . LEU A-4 1 46 . 48.75 -18.216 -1.771 1 17.34 ? HG LEU A-4 46 1 
ATOM 4215 H HD11 . LEU A-4 1 46 . 47.854 -15.923 -0.454 1 18.42 ? HD11 LEU A-4 46 1 
ATOM 4216 H HD12 . LEU A-4 1 46 . 47.03 -16.706 -1.564 1 18.42 ? HD12 LEU A-4 46 1 
ATOM 4217 H HD13 . LEU A-4 1 46 . 47.346 -17.402 -0.171 1 18.42 ? HD13 LEU A-4 46 1 
ATOM 4218 H HD21 . LEU A-4 1 46 . 48.773 -16.41 -3.213 1 20.22 ? HD21 LEU A-4 46 1 
ATOM 4219 H HD22 . LEU A-4 1 46 . 49.757 -15.651 -2.223 1 20.22 ? HD22 LEU A-4 46 1 
ATOM 4220 H HD23 . LEU A-4 1 46 . 50.234 -16.978 -2.956 1 20.22 ? HD23 LEU A-4 46 1 
ATOM 4221 N N . LYS A-4 1 47 . 48.816 -20.72 0.098 1 14.92 ? N LYS A-4 47 1 
ATOM 4222 C CA A LYS A-4 1 47 . 48.713 -22.041 -0.519 0.55 17.41 ? CA LYS A-4 47 1 
ATOM 4223 C CA B LYS A-4 1 47 . 48.738 -22.041 -0.506 0.45 16.29 ? CA LYS A-4 47 1 
ATOM 4224 C CA C LYS A-4 1 47 . 48.713 -22.048 -0.515 0 19.61 ? CA LYS A-4 47 1 
ATOM 4225 C C . LYS A-4 1 47 . 48.318 -21.898 -1.94 1 19.58 ? C LYS A-4 47 1 
ATOM 4226 O O . LYS A-4 1 47 . 47.293 -21.285 -2.167 1 25.43 ? O LYS A-4 47 1 
ATOM 4227 C CB A LYS A-4 1 47 . 47.534 -22.824 0.052 0.55 22.32 ? CB LYS A-4 47 1 
ATOM 4228 C CB B LYS A-4 1 47 . 47.742 -22.911 0.237 0.45 20.36 ? CB LYS A-4 47 1 
ATOM 4229 C CB C LYS A-4 1 47 . 47.566 -22.844 0.104 0 25.98 ? CB LYS A-4 47 1 
ATOM 4230 C CG A LYS A-4 1 47 . 47.497 -23.015 1.509 0.55 24.44 ? CG LYS A-4 47 1 
ATOM 4231 C CG B LYS A-4 1 47 . 47.709 -24.343 -0.261 0.45 22.72 ? CG LYS A-4 47 1 
ATOM 4232 C CG C LYS A-4 1 47 . 47.61 -22.981 1.587 0 32.88 ? CG LYS A-4 47 1 
ATOM 4233 C CD A LYS A-4 1 47 . 46.165 -23.736 1.881 0.55 27.38 ? CD LYS A-4 47 1 
ATOM 4234 C CD B LYS A-4 1 47 . 49.085 -25.092 -0.332 0.45 25.17 ? CD LYS A-4 47 1 
ATOM 4235 C CD C LYS A-4 1 47 . 48.353 -24.236 1.983 0 39.64 ? CD LYS A-4 47 1 
ATOM 4236 C CE A LYS A-4 1 47 . 46.109 -24.21 3.319 0.55 29.86 ? CE LYS A-4 47 1 
ATOM 4237 C CE B LYS A-4 1 47 . 48.871 -26.626 -0.486 0.45 27.19 ? CE LYS A-4 47 1 
ATOM 4238 C CE C LYS A-4 1 47 . 47.417 -25.316 2.497 0 44.1 ? CE LYS A-4 47 1 
ATOM 4239 N NZ A LYS A-4 1 47 . 47.052 -25.352 3.552 0.55 32.96 ? NZ LYS A-4 47 1 
ATOM 4240 N NZ B LYS A-4 1 47 . 49.479 -27.318 -1.727 0.45 23.93 ? NZ LYS A-4 47 1 
ATOM 4241 N NZ C LYS A-4 1 47 . 47.434 -26.518 1.621 0 45.99 ? NZ LYS A-4 47 1 
ATOM 4242 H H . LYS A-4 1 47 . 48.107 -20.484 0.524 1 17.91 ? H LYS A-4 47 1 
ATOM 4243 H HA . LYS A-4 1 47 . 49.564 -22.519 -0.454 0.55 23.54 ? HA LYS A-4 47 1 
ATOM 4244 H HB2 A LYS A-4 1 47 . 46.718 -22.362 -0.195 0.55 26.78 ? HB2 LYS A-4 47 1 
ATOM 4245 H HB2 B LYS A-4 1 47 . 47.979 -22.927 1.177 0.45 24.44 ? HB2 LYS A-4 47 1 
ATOM 4246 H HB2 C LYS A-4 1 47 . 46.731 -22.406 -0.123 0 31.18 ? HB2 LYS A-4 47 1 
ATOM 4247 H HB3 A LYS A-4 1 47 . 47.536 -23.707 -0.351 0.55 26.78 ? HB3 LYS A-4 47 1 
ATOM 4248 H HB3 B LYS A-4 1 47 . 46.854 -22.536 0.126 0.45 24.44 ? HB3 LYS A-4 47 1 
ATOM 4249 H HB3 C LYS A-4 1 47 . 47.576 -23.738 -0.271 0 31.18 ? HB3 LYS A-4 47 1 
ATOM 4250 H HG2 A LYS A-4 1 47 . 48.242 -23.57 1.787 0.55 29.32 ? HG2 LYS A-4 47 1 
ATOM 4251 H HG2 B LYS A-4 1 47 . 47.133 -24.856 0.328 0.45 27.26 ? HG2 LYS A-4 47 1 
ATOM 4252 H HG2 C LYS A-4 1 47 . 48.071 -22.218 1.969 0 39.45 ? HG2 LYS A-4 47 1 
ATOM 4253 H HG3 A LYS A-4 1 47 . 47.523 -22.154 1.954 0.55 29.32 ? HG3 LYS A-4 47 1 
ATOM 4254 H HG3 B LYS A-4 1 47 . 47.334 -24.344 -1.156 0.45 27.26 ? HG3 LYS A-4 47 1 
ATOM 4255 H HG3 C LYS A-4 1 47 . 46.706 -23.039 1.933 0 39.45 ? HG3 LYS A-4 47 1 
ATOM 4256 H HD2 A LYS A-4 1 47 . 45.428 -23.121 1.742 0.55 32.85 ? HD2 LYS A-4 47 1 
ATOM 4257 H HD2 B LYS A-4 1 47 . 49.586 -24.774 -1.1 0.45 30.2 ? HD2 LYS A-4 47 1 
ATOM 4258 H HD2 C LYS A-4 1 47 . 48.822 -24.586 1.209 0 47.56 ? HD2 LYS A-4 47 1 
ATOM 4259 H HD3 A LYS A-4 1 47 . 46.059 -24.512 1.309 0.55 32.85 ? HD3 LYS A-4 47 1 
ATOM 4260 H HD3 B LYS A-4 1 47 . 49.582 -24.932 0.485 0.45 30.2 ? HD3 LYS A-4 47 1 
ATOM 4261 H HD3 C LYS A-4 1 47 . 48.985 -24.023 2.688 0 47.56 ? HD3 LYS A-4 47 1 
ATOM 4262 H HE2 A LYS A-4 1 47 . 46.361 -23.481 3.908 0.55 35.84 ? HE2 LYS A-4 47 1 
ATOM 4263 H HE2 B LYS A-4 1 47 . 49.252 -27.06 0.294 0.45 32.62 ? HE2 LYS A-4 47 1 
ATOM 4264 H HE2 C LYS A-4 1 47 . 47.696 -25.585 3.386 0 52.92 ? HE2 LYS A-4 47 1 
ATOM 4265 H HE3 A LYS A-4 1 47 . 45.209 -24.511 3.523 0.55 35.84 ? HE3 LYS A-4 47 1 
ATOM 4266 H HE3 B LYS A-4 1 47 . 47.916 -26.794 -0.508 0.45 32.62 ? HE3 LYS A-4 47 1 
ATOM 4267 H HE3 C LYS A-4 1 47 . 46.511 -24.97 2.519 0 52.92 ? HE3 LYS A-4 47 1 
ATOM 4268 H HZ1 A LYS A-4 1 47 . 46.839 -26.035 3.024 0.55 39.56 ? HZ1 LYS A-4 47 1 
ATOM 4269 H HZ1 B LYS A-4 1 47 . 49.137 -26.965 -2.469 0.45 28.72 ? HZ1 LYS A-4 47 1 
ATOM 4270 H HZ1 C LYS A-4 1 47 . 47.178 -26.298 0.798 0 55.19 ? HZ1 LYS A-4 47 1 
ATOM 4271 H HZ2 A LYS A-4 1 47 . 47.887 -25.098 3.374 0.55 39.56 ? HZ2 LYS A-4 47 1 
ATOM 4272 H HZ2 B LYS A-4 1 47 . 50.362 -27.209 -1.734 0.45 28.72 ? HZ2 LYS A-4 47 1 
ATOM 4273 H HZ2 C LYS A-4 1 47 . 48.256 -26.857 1.588 0 55.19 ? HZ2 LYS A-4 47 1 
ATOM 4274 H HZ3 A LYS A-4 1 47 . 47.006 -25.616 4.401 0.55 39.56 ? HZ3 LYS A-4 47 1 
ATOM 4275 H HZ3 B LYS A-4 1 47 . 49.295 -28.189 -1.71 0.45 28.72 ? HZ3 LYS A-4 47 1 
ATOM 4276 H HZ3 C LYS A-4 1 47 . 46.879 -27.136 1.942 0 55.19 ? HZ3 LYS A-4 47 1 
ATOM 4277 N N . THR A-4 1 49 . 50.822 -25.325 -5.684 0.76 23.97 ? N THR A-4 49 1 
ATOM 4278 C CA . THR A-4 1 49 . 51.403 -26.648 -5.447 1 25.06 ? CA THR A-4 49 1 
ATOM 4279 C C . THR A-4 1 49 . 52.074 -26.773 -4.042 0.87 22.97 ? C THR A-4 49 1 
ATOM 4280 O O . THR A-4 1 49 . 51.944 -27.772 -3.374 1 25.23 ? O THR A-4 49 1 
ATOM 4281 C CB . THR A-4 1 49 . 52.396 -27.005 -6.527 0.71 27.57 ? CB THR A-4 49 1 
ATOM 4282 O OG1 . THR A-4 1 49 . 51.718 -27.042 -7.788 0.53 29.04 ? OG1 THR A-4 49 1 
ATOM 4283 C CG2 . THR A-4 1 49 . 53.02 -28.376 -6.255 0.42 28.25 ? CG2 THR A-4 49 1 
ATOM 4284 H H . THR A-4 1 49 . 50.826 -25.084 -6.51 0.76 28.76 ? H THR A-4 49 1 
ATOM 4285 H HA . THR A-4 1 49 . 50.689 -27.303 -5.484 1 30.07 ? HA THR A-4 49 1 
ATOM 4286 H HB . THR A-4 1 49 . 53.103 -26.341 -6.555 0.71 33.08 ? HB THR A-4 49 1 
ATOM 4287 H HG1 . THR A-4 1 49 . 51.381 -26.291 -7.955 0.53 34.84 ? HG1 THR A-4 49 1 
ATOM 4288 H HG21 . THR A-4 1 49 . 52.329 -29.056 -6.233 0.42 33.9 ? HG21 THR A-4 49 1 
ATOM 4289 H HG22 . THR A-4 1 49 . 53.481 -28.366 -5.402 0.42 33.9 ? HG22 THR A-4 49 1 
ATOM 4290 H HG23 . THR A-4 1 49 . 53.656 -28.595 -6.954 0.42 33.9 ? HG23 THR A-4 49 1 
ATOM 4291 N N . VAL A-4 1 50 . 52.74 -25.753 -3.59 1 23.46 ? N VAL A-4 50 1 
ATOM 4292 C CA . VAL A-4 1 50 . 53.368 -25.644 -2.25 1 20.02 ? CA VAL A-4 50 1 
ATOM 4293 C C . VAL A-4 1 50 . 52.804 -24.363 -1.587 1 18.68 ? C VAL A-4 50 1 
ATOM 4294 O O . VAL A-4 1 50 . 52.087 -23.582 -2.186 1 24.31 ? O VAL A-4 50 1 
ATOM 4295 C CB . VAL A-4 1 50 . 54.887 -25.54 -2.346 1 20.17 ? CB VAL A-4 50 1 
ATOM 4296 C CG1 . VAL A-4 1 50 . 55.462 -26.834 -2.905 1 20.75 ? CG1 VAL A-4 50 1 
ATOM 4297 C CG2 . VAL A-4 1 50 . 55.268 -24.305 -3.149 1 20.98 ? CG2 VAL A-4 50 1 
ATOM 4298 H H . VAL A-4 1 50 . 52.865 -25.044 -4.06 1 28.15 ? H VAL A-4 50 1 
ATOM 4299 H HA . VAL A-4 1 50 . 53.135 -26.413 -1.708 1 24.03 ? HA VAL A-4 50 1 
ATOM 4300 H HB . VAL A-4 1 50 . 55.243 -25.426 -1.451 1 24.2 ? HB VAL A-4 50 1 
ATOM 4301 H HG11 . VAL A-4 1 50 . 56.427 -26.752 -2.959 1 24.91 ? HG11 VAL A-4 50 1 
ATOM 4302 H HG12 . VAL A-4 1 50 . 55.225 -27.566 -2.314 1 24.91 ? HG12 VAL A-4 50 1 
ATOM 4303 H HG13 . VAL A-4 1 50 . 55.092 -26.988 -3.788 1 24.91 ? HG13 VAL A-4 50 1 
ATOM 4304 H HG21 . VAL A-4 1 50 . 54.459 -23.848 -3.428 1 25.18 ? HG21 VAL A-4 50 1 
ATOM 4305 H HG22 . VAL A-4 1 50 . 55.804 -23.719 -2.591 1 25.18 ? HG22 VAL A-4 50 1 
ATOM 4306 H HG23 . VAL A-4 1 50 . 55.779 -24.579 -3.926 1 25.18 ? HG23 VAL A-4 50 1 
ATOM 4307 N N . SER A-4 1 51 . 53.047 -24.217 -0.339 1 19.83 ? N SER A-4 51 1 
ATOM 4308 C CA A SER A-4 1 51 . 52.816 -22.933 0.255 0.77 19.22 ? CA SER A-4 51 1 
ATOM 4309 C CA B SER A-4 1 51 . 52.812 -22.949 0.313 0.23 20.41 ? CA SER A-4 51 1 
ATOM 4310 C C . SER A-4 1 51 . 54.031 -22.062 0.068 1 19.05 ? C SER A-4 51 1 
ATOM 4311 O O . SER A-4 1 51 . 55.176 -22.536 0.211 1 23.01 ? O SER A-4 51 1 
ATOM 4312 C CB A SER A-4 1 51 . 52.486 -23.139 1.723 0.77 22.66 ? CB SER A-4 51 1 
ATOM 4313 C CB B SER A-4 1 51 . 52.581 -23.179 1.809 0.23 23.29 ? CB SER A-4 51 1 
ATOM 4314 O OG A SER A-4 1 51 . 51.283 -23.842 1.779 0.77 26.4 ? OG SER A-4 51 1 
ATOM 4315 O OG B SER A-4 1 51 . 53.769 -23.612 2.448 0.23 25.69 ? OG SER A-4 51 1 
ATOM 4316 H H A SER A-4 1 51 . 53.341 -24.825 0.193 0.77 23.8 ? H SER A-4 51 1 
ATOM 4317 H H B SER A-4 1 51 . 53.352 -24.832 0.178 0.23 23.8 ? H SER A-4 51 1 
ATOM 4318 H HA A SER A-4 1 51 . 52.06 -22.506 -0.176 0.77 23.06 ? HA SER A-4 51 1 
ATOM 4319 H HA B SER A-4 1 51 . 52.028 -22.521 -0.066 0.23 24.5 ? HA SER A-4 51 1 
ATOM 4320 H HB2 A SER A-4 1 51 . 53.188 -23.656 2.147 0.77 27.19 ? HB2 SER A-4 51 1 
ATOM 4321 H HB2 B SER A-4 1 51 . 52.292 -22.346 2.214 0.23 27.95 ? HB2 SER A-4 51 1 
ATOM 4322 H HB3 A SER A-4 1 51 . 52.382 -22.278 2.159 0.77 27.19 ? HB3 SER A-4 51 1 
ATOM 4323 H HB3 B SER A-4 1 51 . 51.898 -23.857 1.922 0.23 27.95 ? HB3 SER A-4 51 1 
ATOM 4324 H HG A SER A-4 1 51 . 50.675 -23.402 1.402 0.77 31.68 ? HG SER A-4 51 1 
ATOM 4325 H HG B SER A-4 1 51 . 54.032 -24.333 2.107 0.23 30.83 ? HG SER A-4 51 1 
ATOM 4326 N N . GLN A-4 1 52 . 53.78 -20.808 -0.29 1 14.8 ? N GLN A-4 52 1 
ATOM 4327 C CA . GLN A-4 1 52 . 54.876 -19.879 -0.378 1 15.85 ? CA GLN A-4 52 1 
ATOM 4328 C C . GLN A-4 1 52 . 54.765 -18.837 0.687 1 13.15 ? C GLN A-4 52 1 
ATOM 4329 O O . GLN A-4 1 52 . 53.67 -18.402 1.084 1 14.99 ? O GLN A-4 52 1 
ATOM 4330 C CB . GLN A-4 1 52 . 54.969 -19.326 -1.726 1 17.84 ? CB GLN A-4 52 1 
ATOM 4331 C CG . GLN A-4 1 52 . 53.887 -18.456 -2.006 1 16.84 ? CG GLN A-4 52 1 
ATOM 4332 C CD . GLN A-4 1 52 . 53.952 -17.944 -3.45 1 19.29 ? CD GLN A-4 52 1 
ATOM 4333 O OE1 . GLN A-4 1 52 . 54.838 -17.168 -3.813 1 20.61 ? OE1 GLN A-4 52 1 
ATOM 4334 N NE2 . GLN A-4 1 52 . 53.044 -18.414 -4.288 1 22.31 ? NE2 GLN A-4 52 1 
ATOM 4335 H H . GLN A-4 1 52 . 53.006 -20.486 -0.481 1 17.76 ? H GLN A-4 52 1 
ATOM 4336 H HA . GLN A-4 1 52 . 55.699 -20.367 -0.214 1 19.02 ? HA GLN A-4 52 1 
ATOM 4337 H HB2 . GLN A-4 1 52 . 55.794 -18.822 -1.809 1 21.4 ? HB2 GLN A-4 52 1 
ATOM 4338 H HB3 . GLN A-4 1 52 . 54.951 -20.05 -2.371 1 21.4 ? HB3 GLN A-4 52 1 
ATOM 4339 H HG2 . GLN A-4 1 52 . 53.052 -18.934 -1.888 1 20.21 ? HG2 GLN A-4 52 1 
ATOM 4340 H HG3 . GLN A-4 1 52 . 53.926 -17.692 -1.409 1 20.21 ? HG3 GLN A-4 52 1 
ATOM 4341 H HE21 . GLN A-4 1 52 . 53.041 -18.156 -5.109 1 26.77 ? HE21 GLN A-4 52 1 
ATOM 4342 H HE22 . GLN A-4 1 52 . 52.457 -18.979 -4.014 1 26.77 ? HE22 GLN A-4 52 1 
ATOM 4343 N N . MET A-4 1 53 . 55.911 -18.448 1.195 1 11.91 ? N MET A-4 53 1 
ATOM 4344 C CA . MET A-4 1 53 . 55.981 -17.466 2.252 1 11.19 ? CA MET A-4 53 1 
ATOM 4345 C C . MET A-4 1 53 . 56.172 -16.101 1.66 1 11.15 ? C MET A-4 53 1 
ATOM 4346 O O . MET A-4 1 53 . 57.226 -15.851 1.063 1 13.98 ? O MET A-4 53 1 
ATOM 4347 C CB . MET A-4 1 53 . 57.108 -17.798 3.244 1 12.67 ? CB MET A-4 53 1 
ATOM 4348 C CG . MET A-4 1 53 . 57.107 -16.94 4.472 1 14.19 ? CG MET A-4 53 1 
ATOM 4349 S SD . MET A-4 1 53 . 58.449 -17.209 5.582 1 14.63 ? SD MET A-4 53 1 
ATOM 4350 C CE . MET A-4 1 53 . 59.715 -16.333 4.67 1 18.18 ? CE MET A-4 53 1 
ATOM 4351 H H . MET A-4 1 53 . 56.678 -18.743 0.941 1 14.29 ? H MET A-4 53 1 
ATOM 4352 H HA . MET A-4 1 53 . 55.145 -17.478 2.743 1 13.43 ? HA MET A-4 53 1 
ATOM 4353 H HB2 . MET A-4 1 53 . 57.014 -18.721 3.527 1 15.2 ? HB2 MET A-4 53 1 
ATOM 4354 H HB3 . MET A-4 1 53 . 57.961 -17.676 2.798 1 15.2 ? HB3 MET A-4 53 1 
ATOM 4355 H HG2 . MET A-4 1 53 . 57.138 -16.01 4.198 1 17.02 ? HG2 MET A-4 53 1 
ATOM 4356 H HG3 . MET A-4 1 53 . 56.287 -17.106 4.962 1 17.02 ? HG3 MET A-4 53 1 
ATOM 4357 H HE1 . MET A-4 1 53 . 59.817 -16.744 3.797 1 21.81 ? HE1 MET A-4 53 1 
ATOM 4358 H HE2 . MET A-4 1 53 . 59.447 -15.406 4.57 1 21.81 ? HE2 MET A-4 53 1 
ATOM 4359 H HE3 . MET A-4 1 53 . 60.55 -16.384 5.161 1 21.81 ? HE3 MET A-4 53 1 
ATOM 4360 N N . VAL A-4 1 54 . 55.207 -15.226 1.827 1 10.52 ? N VAL A-4 54 1 
ATOM 4361 C CA . VAL A-4 1 54 . 55.199 -13.898 1.242 1 10.41 ? CA VAL A-4 54 1 
ATOM 4362 C C . VAL A-4 1 54 . 55.523 -12.888 2.349 1 9.87 ? C VAL A-4 54 1 
ATOM 4363 O O . VAL A-4 1 54 . 54.804 -12.826 3.357 1 10.81 ? O VAL A-4 54 1 
ATOM 4364 C CB . VAL A-4 1 54 . 53.849 -13.567 0.615 1 11.32 ? CB VAL A-4 54 1 
ATOM 4365 C CG1 . VAL A-4 1 54 . 53.941 -12.258 -0.154 1 11.79 ? CG1 VAL A-4 54 1 
ATOM 4366 C CG2 . VAL A-4 1 54 . 53.344 -14.708 -0.282 1 12.8 ? CG2 VAL A-4 54 1 
ATOM 4367 H H . VAL A-4 1 54 . 54.507 -15.385 2.3 1 12.63 ? H VAL A-4 54 1 
ATOM 4368 H HA . VAL A-4 1 54 . 55.883 -13.838 0.557 1 12.49 ? HA VAL A-4 54 1 
ATOM 4369 H HB . VAL A-4 1 54 . 53.2 -13.444 1.326 1 13.59 ? HB VAL A-4 54 1 
ATOM 4370 H HG11 . VAL A-4 1 54 . 53.075 -12.061 -0.546 1 14.15 ? HG11 VAL A-4 54 1 
ATOM 4371 H HG12 . VAL A-4 1 54 . 54.196 -11.55 0.458 1 14.15 ? HG12 VAL A-4 54 1 
ATOM 4372 H HG13 . VAL A-4 1 54 . 54.608 -12.349 -0.852 1 14.15 ? HG13 VAL A-4 54 1 
ATOM 4373 H HG21 . VAL A-4 1 54 . 53.994 -15.427 -0.274 1 15.36 ? HG21 VAL A-4 54 1 
ATOM 4374 H HG22 . VAL A-4 1 54 . 52.494 -15.026 0.06 1 15.36 ? HG22 VAL A-4 54 1 
ATOM 4375 H HG23 . VAL A-4 1 54 . 53.232 -14.373 -1.186 1 15.36 ? HG23 VAL A-4 54 1 
ATOM 4376 N N . TYR A-4 1 55 . 56.549 -12.083 2.168 1 9.77 ? N TYR A-4 55 1 
ATOM 4377 C CA . TYR A-4 1 55 . 56.817 -11.024 3.12 1 9.91 ? CA TYR A-4 55 1 
ATOM 4378 C C . TYR A-4 1 55 . 55.823 -9.888 2.94 1 9.35 ? C TYR A-4 55 1 
ATOM 4379 O O . TYR A-4 1 55 . 55.64 -9.37 1.839 1 10.14 ? O TYR A-4 55 1 
ATOM 4380 C CB . TYR A-4 1 55 . 58.256 -10.485 2.988 1 10.52 ? CB TYR A-4 55 1 
ATOM 4381 C CG . TYR A-4 1 55 . 59.268 -11.392 3.63 1 10.51 ? CG TYR A-4 55 1 
ATOM 4382 C CD1 . TYR A-4 1 55 . 59.482 -11.307 4.997 1 11.17 ? CD1 TYR A-4 55 1 
ATOM 4383 C CD2 . TYR A-4 1 55 . 59.986 -12.303 2.932 1 11.78 ? CD2 TYR A-4 55 1 
ATOM 4384 C CE1 . TYR A-4 1 55 . 60.375 -12.159 5.642 1 11.38 ? CE1 TYR A-4 55 1 
ATOM 4385 C CE2 . TYR A-4 1 55 . 60.899 -13.144 3.55 1 13.21 ? CE2 TYR A-4 55 1 
ATOM 4386 C CZ . TYR A-4 1 55 . 61.08 -13.082 4.921 1 11.74 ? CZ TYR A-4 55 1 
ATOM 4387 O OH . TYR A-4 1 55 . 61.949 -13.971 5.496 1 12.99 ? OH TYR A-4 55 1 
ATOM 4388 H H . TYR A-4 1 55 . 57.102 -12.125 1.511 1 11.72 ? H TYR A-4 55 1 
ATOM 4389 H HA . TYR A-4 1 55 . 56.711 -11.374 4.018 1 11.89 ? HA TYR A-4 55 1 
ATOM 4390 H HB2 . TYR A-4 1 55 . 58.479 -10.403 2.047 1 12.62 ? HB2 TYR A-4 55 1 
ATOM 4391 H HB3 . TYR A-4 1 55 . 58.311 -9.618 3.42 1 12.62 ? HB3 TYR A-4 55 1 
ATOM 4392 H HD1 . TYR A-4 1 55 . 58.989 -10.698 5.499 1 13.41 ? HD1 TYR A-4 55 1 
ATOM 4393 H HD2 . TYR A-4 1 55 . 59.858 -12.373 2.013 1 14.14 ? HD2 TYR A-4 55 1 
ATOM 4394 H HE1 . TYR A-4 1 55 . 60.49 -12.102 6.564 1 13.66 ? HE1 TYR A-4 55 1 
ATOM 4395 H HE2 . TYR A-4 1 55 . 61.358 -13.779 3.049 1 15.85 ? HE2 TYR A-4 55 1 
ATOM 4396 H HH . TYR A-4 1 55 . 62.291 -14.461 4.905 1 15.59 ? HH TYR A-4 55 1 
ATOM 4397 N N . LYS A-4 1 56 . 55.212 -9.454 4.034 1 9.85 ? N LYS A-4 56 1 
ATOM 4398 C CA . LYS A-4 1 56 . 54.268 -8.329 3.951 1 10.21 ? CA LYS A-4 56 1 
ATOM 4399 C C . LYS A-4 1 56 . 54.879 -7.097 3.355 1 10.14 ? C LYS A-4 56 1 
ATOM 4400 O O . LYS A-4 1 56 . 54.201 -6.369 2.648 1 10.4 ? O LYS A-4 56 1 
ATOM 4401 C CB . LYS A-4 1 56 . 53.704 -8.022 5.323 1 10.61 ? CB LYS A-4 56 1 
ATOM 4402 C CG . LYS A-4 1 56 . 52.78 -9.065 5.892 1 10.86 ? CG LYS A-4 56 1 
ATOM 4403 C CD . LYS A-4 1 56 . 52.328 -8.633 7.287 1 12.11 ? CD LYS A-4 56 1 
ATOM 4404 C CE . LYS A-4 1 56 . 51.473 -9.627 7.969 1 12.75 ? CE LYS A-4 56 1 
ATOM 4405 N NZ . LYS A-4 1 56 . 51.085 -9.101 9.306 1 13.6 ? NZ LYS A-4 56 1 
ATOM 4406 H H . LYS A-4 1 56 . 55.317 -9.781 4.823 1 11.83 ? H LYS A-4 56 1 
ATOM 4407 H HA . LYS A-4 1 56 . 53.527 -8.591 3.382 1 12.26 ? HA LYS A-4 56 1 
ATOM 4408 H HB2 . LYS A-4 1 56 . 54.443 -7.92 5.943 1 12.73 ? HB2 LYS A-4 56 1 
ATOM 4409 H HB3 . LYS A-4 1 56 . 53.207 -7.19 5.272 1 12.73 ? HB3 LYS A-4 56 1 
ATOM 4410 H HG2 . LYS A-4 1 56 . 51.997 -9.152 5.325 1 13.03 ? HG2 LYS A-4 56 1 
ATOM 4411 H HG3 . LYS A-4 1 56 . 53.247 -9.911 5.965 1 13.03 ? HG3 LYS A-4 56 1 
ATOM 4412 H HD2 . LYS A-4 1 56 . 53.112 -8.487 7.839 1 14.53 ? HD2 LYS A-4 56 1 
ATOM 4413 H HD3 . LYS A-4 1 56 . 51.822 -7.809 7.211 1 14.53 ? HD3 LYS A-4 56 1 
ATOM 4414 H HE2 . LYS A-4 1 56 . 50.669 -9.78 7.449 1 15.3 ? HE2 LYS A-4 56 1 
ATOM 4415 H HE3 . LYS A-4 1 56 . 51.966 -10.453 8.091 1 15.3 ? HE3 LYS A-4 56 1 
ATOM 4416 H HZ1 . LYS A-4 1 56 . 50.569 -9.691 9.727 1 16.32 ? HZ1 LYS A-4 56 1 
ATOM 4417 H HZ2 . LYS A-4 1 56 . 51.812 -8.95 9.796 1 16.32 ? HZ2 LYS A-4 56 1 
ATOM 4418 H HZ3 . LYS A-4 1 56 . 50.635 -8.338 9.213 1 16.32 ? HZ3 LYS A-4 56 1 
ATOM 4419 N N . HIS A-4 1 57 . 56.17 -6.828 3.62 1 10.56 ? N HIS A-4 57 1 
ATOM 4420 C CA . HIS A-4 1 57 . 56.8 -5.638 3.082 1 10.98 ? CA HIS A-4 57 1 
ATOM 4421 C C . HIS A-4 1 57 . 56.752 -5.612 1.543 1 11.29 ? C HIS A-4 57 1 
ATOM 4422 O O . HIS A-4 1 57 . 56.924 -4.529 0.953 1 12.96 ? O HIS A-4 57 1 
ATOM 4423 C CB . HIS A-4 1 57 . 58.246 -5.456 3.588 1 11.81 ? CB HIS A-4 57 1 
ATOM 4424 C CG . HIS A-4 1 57 . 59.178 -6.584 3.264 1 11.05 ? CG HIS A-4 57 1 
ATOM 4425 N ND1 . HIS A-4 1 57 . 59.801 -7.299 4.266 1 11.67 ? ND1 HIS A-4 57 1 
ATOM 4426 C CD2 . HIS A-4 1 57 . 59.59 -7.09 2.083 1 11.25 ? CD2 HIS A-4 57 1 
ATOM 4427 C CE1 . HIS A-4 1 57 . 60.562 -8.19 3.675 1 11.27 ? CE1 HIS A-4 57 1 
ATOM 4428 N NE2 . HIS A-4 1 57 . 60.473 -8.073 2.368 1 10.91 ? NE2 HIS A-4 57 1 
ATOM 4429 H H . HIS A-4 1 57 . 56.685 -7.319 4.103 1 12.67 ? H HIS A-4 57 1 
ATOM 4430 H HA . HIS A-4 1 57 . 56.296 -4.869 3.392 1 13.18 ? HA HIS A-4 57 1 
ATOM 4431 H HB2 . HIS A-4 1 57 . 58.613 -4.651 3.191 1 14.17 ? HB2 HIS A-4 57 1 
ATOM 4432 H HB3 . HIS A-4 1 57 . 58.226 -5.362 4.553 1 14.17 ? HB3 HIS A-4 57 1 
ATOM 4433 H HD2 . HIS A-4 1 57 . 59.345 -6.793 1.237 1 13.5 ? HD2 HIS A-4 57 1 
ATOM 4434 H HE1 . HIS A-4 1 57 . 61.097 -8.809 4.118 1 13.52 ? HE1 HIS A-4 57 1 
ATOM 4435 H HE2 . HIS A-4 1 57 . 60.873 -8.57 1.792 1 13.1 ? HE2 HIS A-4 57 1 
ATOM 4436 N N . ALA A-4 1 58 . 56.585 -6.76 0.905 1 10.26 ? N ALA A-4 58 1 
ATOM 4437 C CA . ALA A-4 1 58 . 56.524 -6.871 -0.543 1 11.36 ? CA ALA A-4 58 1 
ATOM 4438 C C . ALA A-4 1 58 . 55.091 -6.77 -1.09 1 10.37 ? C ALA A-4 58 1 
ATOM 4439 O O . ALA A-4 1 58 . 54.925 -6.789 -2.287 1 12.76 ? O ALA A-4 58 1 
ATOM 4440 C CB . ALA A-4 1 58 . 57.146 -8.155 -1.013 1 12.21 ? CB ALA A-4 58 1 
ATOM 4441 H H . ALA A-4 1 58 . 56.5 -7.516 1.305 1 12.31 ? H ALA A-4 58 1 
ATOM 4442 H HA . ALA A-4 1 58 . 57.035 -6.142 -0.929 1 13.63 ? HA ALA A-4 58 1 
ATOM 4443 H HB1 . ALA A-4 1 58 . 56.665 -8.9 -0.619 1 14.65 ? HB1 ALA A-4 58 1 
ATOM 4444 H HB2 . ALA A-4 1 58 . 57.089 -8.198 -1.98 1 14.65 ? HB2 ALA A-4 58 1 
ATOM 4445 H HB3 . ALA A-4 1 58 . 58.074 -8.176 -0.734 1 14.65 ? HB3 ALA A-4 58 1 
ATOM 4446 N N . ILE A-4 1 59 . 54.095 -6.743 -0.209 1 10.15 ? N ILE A-4 59 1 
ATOM 4447 C CA . ILE A-4 1 59 . 52.7 -6.759 -0.608 1 10.05 ? CA ILE A-4 59 1 
ATOM 4448 C C . ILE A-4 1 59 . 52.186 -5.32 -0.736 1 9.78 ? C ILE A-4 59 1 
ATOM 4449 O O . ILE A-4 1 59 . 52.403 -4.497 0.139 1 10.92 ? O ILE A-4 59 1 
ATOM 4450 C CB . ILE A-4 1 59 . 51.835 -7.533 0.394 1 10.43 ? CB ILE A-4 59 1 
ATOM 4451 C CG1 . ILE A-4 1 59 . 52.306 -8.969 0.505 1 10.78 ? CG1 ILE A-4 59 1 
ATOM 4452 C CG2 . ILE A-4 1 59 . 50.369 -7.441 0.019 1 11.19 ? CG2 ILE A-4 59 1 
ATOM 4453 C CD1 . ILE A-4 1 59 . 51.587 -9.801 1.544 1 11.69 ? CD1 ILE A-4 59 1 
ATOM 4454 H H . ILE A-4 1 59 . 54.208 -6.715 0.643 1 12.18 ? H ILE A-4 59 1 
ATOM 4455 H HA . ILE A-4 1 59 . 52.621 -7.189 -1.474 1 12.06 ? HA ILE A-4 59 1 
ATOM 4456 H HB . ILE A-4 1 59 . 51.945 -7.117 1.263 1 12.52 ? HB ILE A-4 59 1 
ATOM 4457 H HG12 . ILE A-4 1 59 . 52.181 -9.402 -0.354 1 12.93 ? HG12 ILE A-4 59 1 
ATOM 4458 H HG13 . ILE A-4 1 59 . 53.249 -8.967 0.734 1 12.93 ? HG13 ILE A-4 59 1 
ATOM 4459 H HG21 . ILE A-4 1 59 . 50.1 -6.509 0.021 1 13.43 ? HG21 ILE A-4 59 1 
ATOM 4460 H HG22 . ILE A-4 1 59 . 50.245 -7.819 -0.866 1 13.43 ? HG22 ILE A-4 59 1 
ATOM 4461 H HG23 . ILE A-4 1 59 . 49.846 -7.938 0.668 1 13.43 ? HG23 ILE A-4 59 1 
ATOM 4462 H HD11 . ILE A-4 1 59 . 50.643 -9.831 1.325 1 14.03 ? HD11 ILE A-4 59 1 
ATOM 4463 H HD12 . ILE A-4 1 59 . 51.957 -10.698 1.539 1 14.03 ? HD12 ILE A-4 59 1 
ATOM 4464 H HD13 . ILE A-4 1 59 . 51.713 -9.395 2.415 1 14.03 ? HD13 ILE A-4 59 1 
ATOM 4465 N N . SER A-4 1 60 . 51.449 -5.055 -1.818 1 10.41 ? N SER A-4 60 1 
ATOM 4466 C CA A SER A-4 1 60 . 50.708 -3.812 -1.902 0.61 10.91 ? CA SER A-4 60 1 
ATOM 4467 C CA B SER A-4 1 60 . 50.657 -3.84 -1.993 0.39 11.11 ? CA SER A-4 60 1 
ATOM 4468 C C . SER A-4 1 60 . 49.261 -3.988 -1.406 1 10.65 ? C SER A-4 60 1 
ATOM 4469 O O . SER A-4 1 60 . 48.849 -3.208 -0.557 1 11.63 ? O SER A-4 60 1 
ATOM 4470 C CB A SER A-4 1 60 . 50.743 -3.257 -3.322 0.61 11.58 ? CB SER A-4 60 1 
ATOM 4471 C CB B SER A-4 1 60 . 50.493 -3.507 -3.469 0.39 15.38 ? CB SER A-4 60 1 
ATOM 4472 O OG A SER A-4 1 60 . 50.055 -4.134 -4.17 0.61 13.75 ? OG SER A-4 60 1 
ATOM 4473 O OG B SER A-4 1 60 . 51.686 -3.054 -4.028 0.39 19.4 ? OG SER A-4 60 1 
ATOM 4474 H H A SER A-4 1 60 . 51.368 -5.572 -2.501 0.61 12.49 ? H SER A-4 60 1 
ATOM 4475 H H B SER A-4 1 60 . 51.393 -5.589 -2.49 0.39 12.49 ? H SER A-4 60 1 
ATOM 4476 H HA A SER A-4 1 60 . 51.136 -3.16 -1.324 0.61 13.09 ? HA SER A-4 60 1 
ATOM 4477 H HA B SER A-4 1 60 . 51.1 -3.097 -1.555 0.39 13.33 ? HA SER A-4 60 1 
ATOM 4478 H HB2 A SER A-4 1 60 . 50.313 -2.388 -3.34 0.61 13.9 ? HB2 SER A-4 60 1 
ATOM 4479 H HB2 B SER A-4 1 60 . 50.21 -4.306 -3.941 0.39 18.46 ? HB2 SER A-4 60 1 
ATOM 4480 H HB3 A SER A-4 1 60 . 51.665 -3.183 -3.616 0.61 13.9 ? HB3 SER A-4 60 1 
ATOM 4481 H HB3 B SER A-4 1 60 . 49.82 -2.814 -3.561 0.39 18.46 ? HB3 SER A-4 60 1 
ATOM 4482 H HG A SER A-4 1 60 . 49.257 -4.209 -3.919 0.61 16.5 ? HG SER A-4 60 1 
ATOM 4483 H HG B SER A-4 1 60 . 51.944 -2.36 -3.63 0.39 23.28 ? HG SER A-4 60 1 
ATOM 4484 N N . THR A-4 1 61 . 48.527 -4.963 -1.934 1 11.45 ? N THR A-4 61 1 
ATOM 4485 C CA A THR A-4 1 61 . 47.129 -5.138 -1.596 0.57 11.52 ? CA THR A-4 61 1 
ATOM 4486 C CA B THR A-4 1 61 . 47.157 -5.117 -1.534 0.43 12.95 ? CA THR A-4 61 1 
ATOM 4487 C C . THR A-4 1 61 . 46.781 -6.598 -1.526 1 11.9 ? C THR A-4 61 1 
ATOM 4488 O O . THR A-4 1 61 . 47.344 -7.457 -2.209 1 13.99 ? O THR A-4 61 1 
ATOM 4489 C CB A THR A-4 1 61 . 46.173 -4.539 -2.637 0.57 13.95 ? CB THR A-4 61 1 
ATOM 4490 C CB B THR A-4 1 61 . 46.281 -4.23 -2.454 0.43 14.74 ? CB THR A-4 61 1 
ATOM 4491 O OG1 A THR A-4 1 61 . 46.317 -5.268 -3.852 0.57 19.51 ? OG1 THR A-4 61 1 
ATOM 4492 O OG1 B THR A-4 1 61 . 44.918 -4.19 -2.027 0.43 14.55 ? OG1 THR A-4 61 1 
ATOM 4493 C CG2 A THR A-4 1 61 . 46.441 -3.08 -2.868 0.57 13.93 ? CG2 THR A-4 61 1 
ATOM 4494 C CG2 B THR A-4 1 61 . 46.393 -4.733 -3.812 0.43 19.74 ? CG2 THR A-4 61 1 
ATOM 4495 H H A THR A-4 1 61 . 48.825 -5.541 -2.497 0.57 13.73 ? H THR A-4 61 1 
ATOM 4496 H H B THR A-4 1 61 . 48.803 -5.534 -2.515 0.43 13.73 ? H THR A-4 61 1 
ATOM 4497 H HA A THR A-4 1 61 . 46.947 -4.732 -0.734 0.57 13.82 ? HA THR A-4 61 1 
ATOM 4498 H HA B THR A-4 1 61 . 47.059 -4.786 -0.627 0.43 15.54 ? HA THR A-4 61 1 
ATOM 4499 H HB A THR A-4 1 61 . 45.261 -4.63 -2.318 0.57 16.74 ? HB THR A-4 61 1 
ATOM 4500 H HB B THR A-4 1 61 . 46.636 -3.327 -2.444 0.43 17.69 ? HB THR A-4 61 1 
ATOM 4501 H HG1 A THR A-4 1 61 . 47.108 -5.213 -4.128 0.57 23.41 ? HG1 THR A-4 61 1 
ATOM 4502 H HG1 B THR A-4 1 61 . 44.87 -3.879 -1.248 0.43 17.46 ? HG1 THR A-4 61 1 
ATOM 4503 H HG21 A THR A-4 1 61 . 46.33 -2.587 -2.04 0.57 16.72 ? HG21 THR A-4 61 1 
ATOM 4504 H HG21 B THR A-4 1 61 . 46.085 -5.652 -3.851 0.43 23.69 ? HG21 THR A-4 61 1 
ATOM 4505 H HG22 A THR A-4 1 61 . 47.348 -2.957 -3.189 0.57 16.72 ? HG22 THR A-4 61 1 
ATOM 4506 H HG22 B THR A-4 1 61 . 45.853 -4.194 -4.411 0.43 23.69 ? HG22 THR A-4 61 1 
ATOM 4507 H HG23 A THR A-4 1 61 . 45.823 -2.73 -3.529 0.57 16.72 ? HG23 THR A-4 61 1 
ATOM 4508 H HG23 B THR A-4 1 61 . 47.317 -4.698 -4.104 0.43 23.69 ? HG23 THR A-4 61 1 
ATOM 4509 N N . VAL A-4 1 62 . 45.82 -6.897 -0.652 1 12.18 ? N VAL A-4 62 1 
ATOM 4510 C CA . VAL A-4 1 62 . 45.197 -8.201 -0.517 1 12.02 ? CA VAL A-4 62 1 
ATOM 4511 C C . VAL A-4 1 62 . 43.728 -8.044 -0.902 1 12.58 ? C VAL A-4 62 1 
ATOM 4512 O O . VAL A-4 1 62 . 43.01 -7.251 -0.271 1 13.71 ? O VAL A-4 62 1 
ATOM 4513 C CB . VAL A-4 1 62 . 45.371 -8.779 0.891 1 13.06 ? CB VAL A-4 62 1 
ATOM 4514 C CG1 . VAL A-4 1 62 . 44.67 -10.168 1.019 1 15.06 ? CG1 VAL A-4 62 1 
ATOM 4515 C CG2 . VAL A-4 1 62 . 46.835 -8.873 1.294 1 14.86 ? CG2 VAL A-4 62 1 
ATOM 4516 H H . VAL A-4 1 62 . 45.5 -6.322 -0.099 1 14.62 ? H VAL A-4 62 1 
ATOM 4517 H HA . VAL A-4 1 62 . 45.608 -8.815 -1.145 1 14.42 ? HA VAL A-4 62 1 
ATOM 4518 H HB . VAL A-4 1 62 . 44.939 -8.18 1.519 1 15.67 ? HB VAL A-4 62 1 
ATOM 4519 H HG11 . VAL A-4 1 62 . 44.257 -10.393 0.171 1 18.08 ? HG11 VAL A-4 62 1 
ATOM 4520 H HG12 . VAL A-4 1 62 . 45.334 -10.836 1.252 1 18.08 ? HG12 VAL A-4 62 1 
ATOM 4521 H HG13 . VAL A-4 1 62 . 43.994 -10.117 1.713 1 18.08 ? HG13 VAL A-4 62 1 
ATOM 4522 H HG21 . VAL A-4 1 62 . 47.384 -8.542 0.567 1 17.83 ? HG21 VAL A-4 62 1 
ATOM 4523 H HG22 . VAL A-4 1 62 . 46.978 -8.335 2.089 1 17.83 ? HG22 VAL A-4 62 1 
ATOM 4524 H HG23 . VAL A-4 1 62 . 47.052 -9.8 1.478 1 17.83 ? HG23 VAL A-4 62 1 
ATOM 4525 N N . VAL A-4 1 63 . 43.274 -8.766 -1.925 1 13.42 ? N VAL A-4 63 1 
ATOM 4526 C CA . VAL A-4 1 63 . 41.973 -8.604 -2.515 1 14.03 ? CA VAL A-4 63 1 
ATOM 4527 C C . VAL A-4 1 63 . 41.212 -9.932 -2.423 1 13.78 ? C VAL A-4 63 1 
ATOM 4528 O O . VAL A-4 1 63 . 41.582 -10.893 -3.093 1 14.74 ? O VAL A-4 63 1 
ATOM 4529 C CB . VAL A-4 1 63 . 42.038 -8.121 -3.962 1 15.65 ? CB VAL A-4 63 1 
ATOM 4530 C CG1 . VAL A-4 1 63 . 40.619 -7.865 -4.498 1 18.46 ? CG1 VAL A-4 63 1 
ATOM 4531 C CG2 . VAL A-4 1 63 . 42.889 -6.877 -4.105 1 17.75 ? CG2 VAL A-4 63 1 
ATOM 4532 H H . VAL A-4 1 63 . 43.736 -9.384 -2.304 1 16.1 ? H VAL A-4 63 1 
ATOM 4533 H HA . VAL A-4 1 63 . 41.479 -7.944 -2.004 1 16.84 ? HA VAL A-4 63 1 
ATOM 4534 H HB . VAL A-4 1 63 . 42.438 -8.817 -4.505 1 18.78 ? HB VAL A-4 63 1 
ATOM 4535 H HG11 . VAL A-4 1 63 . 39.977 -8.066 -3.799 1 22.16 ? HG11 VAL A-4 63 1 
ATOM 4536 H HG12 . VAL A-4 1 63 . 40.544 -6.934 -4.759 1 22.16 ? HG12 VAL A-4 63 1 
ATOM 4537 H HG13 . VAL A-4 1 63 . 40.464 -8.438 -5.265 1 22.16 ? HG13 VAL A-4 63 1 
ATOM 4538 H HG21 . VAL A-4 1 63 . 43.232 -6.627 -3.233 1 21.3 ? HG21 VAL A-4 63 1 
ATOM 4539 H HG22 . VAL A-4 1 63 . 43.624 -7.065 -4.709 1 21.3 ? HG22 VAL A-4 63 1 
ATOM 4540 H HG23 . VAL A-4 1 63 . 42.342 -6.16 -4.463 1 21.3 ? HG23 VAL A-4 63 1 
ATOM 4541 N N A PRO A-4 1 64 . 40.168 -10.027 -1.593 0.4 14.41 ? N PRO A-4 64 1 
ATOM 4542 N N B PRO A-4 1 64 . 40.173 -10.021 -1.597 0.6 14.29 ? N PRO A-4 64 1 
ATOM 4543 C CA A PRO A-4 1 64 . 39.449 -11.298 -1.595 0.4 16.01 ? CA PRO A-4 64 1 
ATOM 4544 C CA B PRO A-4 1 64 . 39.36 -11.221 -1.505 0.6 13.64 ? CA PRO A-4 64 1 
ATOM 4545 C C A PRO A-4 1 64 . 38.67 -11.487 -2.872 0.4 17.1 ? C PRO A-4 64 1 
ATOM 4546 C C B PRO A-4 1 64 . 38.61 -11.462 -2.813 0.6 12.57 ? C PRO A-4 64 1 
ATOM 4547 O O A PRO A-4 1 64 . 38.309 -10.55 -3.554 0.4 20.68 ? O PRO A-4 64 1 
ATOM 4548 O O B PRO A-4 1 64 . 38.159 -10.498 -3.444 0.6 13.17 ? O PRO A-4 64 1 
ATOM 4549 C CB A PRO A-4 1 64 . 38.494 -11.169 -0.417 0.4 18.1 ? CB PRO A-4 64 1 
ATOM 4550 C CB B PRO A-4 1 64 . 38.379 -10.842 -0.377 0.6 15.69 ? CB PRO A-4 64 1 
ATOM 4551 C CG A PRO A-4 1 64 . 38.258 -9.693 -0.298 0.4 17.92 ? CG PRO A-4 64 1 
ATOM 4552 C CG B PRO A-4 1 64 . 39.045 -9.723 0.385 0.6 15.77 ? CG PRO A-4 64 1 
ATOM 4553 C CD A PRO A-4 1 64 . 39.557 -9.039 -0.685 0.4 15.84 ? CD PRO A-4 64 1 
ATOM 4554 C CD B PRO A-4 1 64 . 39.724 -8.969 -0.662 0.6 15.97 ? CD PRO A-4 64 1 
ATOM 4555 H HA A PRO A-4 1 64 . 40.053 -12.044 -1.456 0.4 19.21 ? HA PRO A-4 64 1 
ATOM 4556 H HA B PRO A-4 1 64 . 39.887 -11.996 -1.258 0.6 16.37 ? HA PRO A-4 64 1 
ATOM 4557 H HB2 A PRO A-4 1 64 . 37.667 -11.637 -0.61 0.4 21.72 ? HB2 PRO A-4 64 1 
ATOM 4558 H HB2 B PRO A-4 1 64 . 37.541 -10.541 -0.762 0.6 18.82 ? HB2 PRO A-4 64 1 
ATOM 4559 H HB3 A PRO A-4 1 64 . 38.911 -11.519 0.385 0.4 21.72 ? HB3 PRO A-4 64 1 
ATOM 4560 H HB3 B PRO A-4 1 64 . 38.235 -11.608 0.199 0.6 18.82 ? HB3 PRO A-4 64 1 
ATOM 4561 H HG2 A PRO A-4 1 64 . 37.549 -9.427 -0.904 0.4 21.51 ? HG2 PRO A-4 64 1 
ATOM 4562 H HG2 B PRO A-4 1 64 . 38.375 -9.178 0.828 0.6 18.93 ? HG2 PRO A-4 64 1 
ATOM 4563 H HG3 A PRO A-4 1 64 . 38.025 -9.473 0.618 0.4 21.51 ? HG3 PRO A-4 64 1 
ATOM 4564 H HG3 B PRO A-4 1 64 . 39.68 -10.085 1.022 0.6 18.93 ? HG3 PRO A-4 64 1 
ATOM 4565 H HD2 A PRO A-4 1 64 . 39.392 -8.206 -1.152 0.4 19.01 ? HD2 PRO A-4 64 1 
ATOM 4566 H HD2 B PRO A-4 1 64 . 39.104 -8.367 -1.103 0.6 19.17 ? HD2 PRO A-4 64 1 
ATOM 4567 H HD3 A PRO A-4 1 64 . 40.116 -8.906 0.097 0.4 19.01 ? HD3 PRO A-4 64 1 
ATOM 4568 H HD3 B PRO A-4 1 64 . 40.486 -8.493 -0.297 0.6 19.17 ? HD3 PRO A-4 64 1 
ATOM 4569 N N . SER A-4 1 65 . 38.415 -12.74 -3.178 1 14.69 ? N SER A-4 65 1 
ATOM 4570 C CA . SER A-4 1 65 . 37.629 -13.06 -4.357 1 15.84 ? CA SER A-4 65 1 
ATOM 4571 C C . SER A-4 1 65 . 36.134 -12.823 -4.155 1 16.17 ? C SER A-4 65 1 
ATOM 4572 O O . SER A-4 1 65 . 35.411 -12.775 -5.161 1 18.72 ? O SER A-4 65 1 
ATOM 4573 C CB . SER A-4 1 65 . 37.908 -14.489 -4.805 1 17.43 ? CB SER A-4 65 1 
ATOM 4574 O OG . SER A-4 1 65 . 37.508 -15.366 -3.779 1 18.35 ? OG SER A-4 65 1 
ATOM 4575 H H A SER A-4 1 65 . 38.681 -13.422 -2.726 0.4 17.63 ? H SER A-4 65 1 
ATOM 4576 H H B SER A-4 1 65 . 38.727 -13.424 -2.759 0.6 17.63 ? H SER A-4 65 1 
ATOM 4577 H HA . SER A-4 1 65 . 37.915 -12.475 -5.076 1 19.01 ? HA SER A-4 65 1 
ATOM 4578 H HB2 . SER A-4 1 65 . 37.4 -14.68 -5.61 1 20.92 ? HB2 SER A-4 65 1 
ATOM 4579 H HB3 . SER A-4 1 65 . 38.858 -14.596 -4.97 1 20.92 ? HB3 SER A-4 65 1 
ATOM 4580 H HG . SER A-4 1 65 . 37.653 -16.161 -4.007 1 22.02 ? HG SER A-4 65 1 
ATOM 4581 N N . ARG A-4 1 66 . 35.693 -12.728 -2.902 1 16.03 ? N ARG A-4 66 1 
ATOM 4582 C CA . ARG A-4 1 66 . 34.292 -12.428 -2.615 1 17.06 ? CA ARG A-4 66 1 
ATOM 4583 C C . ARG A-4 1 66 . 34.285 -11.737 -1.278 1 16.58 ? C ARG A-4 66 1 
ATOM 4584 O O . ARG A-4 1 66 . 35.276 -11.832 -0.522 1 16.99 ? O ARG A-4 66 1 
ATOM 4585 C CB . ARG A-4 1 66 . 33.421 -13.681 -2.616 1 18.77 ? CB ARG A-4 66 1 
ATOM 4586 C CG . ARG A-4 1 66 . 33.906 -14.809 -1.775 1 21 ? CG ARG A-4 66 1 
ATOM 4587 C CD . ARG A-4 1 66 . 33.504 -14.789 -0.354 1 24.98 ? CD ARG A-4 66 1 
ATOM 4588 N NE . ARG A-4 1 66 . 33.583 -16.088 0.346 1 25.02 ? NE ARG A-4 66 1 
ATOM 4589 C CZ . ARG A-4 1 66 . 33.24 -16.22 1.622 1 23.19 ? CZ ARG A-4 66 1 
ATOM 4590 N NH1 . ARG A-4 1 66 . 32.728 -15.157 2.29 1 23.76 ? NH1 ARG A-4 66 1 
ATOM 4591 N NH2 . ARG A-4 1 66 . 33.375 -17.387 2.214 1 26.1 ? NH2 ARG A-4 66 1 
ATOM 4592 H H . ARG A-4 1 66 . 36.183 -12.832 -2.203 1 19.23 ? H ARG A-4 66 1 
ATOM 4593 H HA . ARG A-4 1 66 . 33.948 -11.813 -3.281 1 20.47 ? HA ARG A-4 66 1 
ATOM 4594 H HB2 . ARG A-4 1 66 . 32.538 -13.439 -2.296 1 22.53 ? HB2 ARG A-4 66 1 
ATOM 4595 H HB3 . ARG A-4 1 66 . 33.356 -14.006 -3.528 1 22.53 ? HB3 ARG A-4 66 1 
ATOM 4596 H HG2 . ARG A-4 1 66 . 33.573 -15.637 -2.157 1 25.2 ? HG2 ARG A-4 66 1 
ATOM 4597 H HG3 . ARG A-4 1 66 . 34.875 -14.811 -1.8 1 25.2 ? HG3 ARG A-4 66 1 
ATOM 4598 H HD2 . ARG A-4 1 66 . 34.079 -14.168 0.119 1 29.97 ? HD2 ARG A-4 66 1 
ATOM 4599 H HD3 . ARG A-4 1 66 . 32.584 -14.484 -0.3 1 29.97 ? HD3 ARG A-4 66 1 
ATOM 4600 H HE . ARG A-4 1 66 . 33.633 -16.801 -0.133 1 30.03 ? HE ARG A-4 66 1 
ATOM 4601 H HH11 . ARG A-4 1 66 . 32.656 -14.396 1.897 1 28.51 ? HH11 ARG A-4 66 1 
ATOM 4602 H HH12 . ARG A-4 1 66 . 32.494 -15.239 3.114 1 28.51 ? HH12 ARG A-4 66 1 
ATOM 4603 H HH21 . ARG A-4 1 66 . 33.684 -18.059 1.775 1 31.32 ? HH21 ARG A-4 66 1 
ATOM 4604 H HH22 . ARG A-4 1 66 . 33.127 -17.486 3.032 1 31.32 ? HH22 ARG A-4 66 1 
ATOM 4605 N N . PRO A-4 1 67 . 33.206 -11.037 -0.928 1 18.26 ? N PRO A-4 67 1 
ATOM 4606 C CA . PRO A-4 1 67 . 33.179 -10.326 0.351 1 18.44 ? CA PRO A-4 67 1 
ATOM 4607 C C . PRO A-4 1 67 . 33.253 -11.29 1.519 1 18.03 ? C PRO A-4 67 1 
ATOM 4608 O O . PRO A-4 1 67 . 32.747 -12.397 1.441 1 18.98 ? O PRO A-4 67 1 
ATOM 4609 C CB . PRO A-4 1 67 . 31.809 -9.603 0.313 1 20.51 ? CB PRO A-4 67 1 
ATOM 4610 C CG . PRO A-4 1 67 . 31.502 -9.448 -1.134 1 20.52 ? CG PRO A-4 67 1 
ATOM 4611 C CD . PRO A-4 1 67 . 32.034 -10.733 -1.76 1 19.37 ? CD PRO A-4 67 1 
ATOM 4612 H HA . PRO A-4 1 67 . 33.898 -9.677 0.406 1 22.12 ? HA PRO A-4 67 1 
ATOM 4613 H HB2 . PRO A-4 1 67 . 31.138 -10.149 0.751 1 24.62 ? HB2 PRO A-4 67 1 
ATOM 4614 H HB3 . PRO A-4 1 67 . 31.884 -8.737 0.744 1 24.62 ? HB3 PRO A-4 67 1 
ATOM 4615 H HG2 . PRO A-4 1 67 . 30.544 -9.37 -1.262 1 24.62 ? HG2 PRO A-4 67 1 
ATOM 4616 H HG3 . PRO A-4 1 67 . 31.964 -8.672 -1.489 1 24.62 ? HG3 PRO A-4 67 1 
ATOM 4617 H HD2 . PRO A-4 1 67 . 31.376 -11.442 -1.691 1 23.24 ? HD2 PRO A-4 67 1 
ATOM 4618 H HD3 . PRO A-4 1 67 . 32.3 -10.579 -2.68 1 23.24 ? HD3 PRO A-4 67 1 
ATOM 4619 N N . VAL A-4 1 68 . 33.841 -10.833 2.616 1 19.92 ? N VAL A-4 68 1 
ATOM 4620 C CA A VAL A-4 1 68 . 34.026 -11.645 3.81 0.69 20.3 ? CA VAL A-4 68 1 
ATOM 4621 C CA B VAL A-4 1 68 . 33.99 -11.661 3.8 0.31 22.7 ? CA VAL A-4 68 1 
ATOM 4622 C C . VAL A-4 1 68 . 33.637 -10.866 5.04 1 20.4 ? C VAL A-4 68 1 
ATOM 4623 O O . VAL A-4 1 68 . 33.916 -9.671 5.129 1 22.58 ? O VAL A-4 68 1 
ATOM 4624 C CB A VAL A-4 1 68 . 35.494 -12.178 3.911 0.69 22.01 ? CB VAL A-4 68 1 
ATOM 4625 C CB B VAL A-4 1 68 . 35.431 -12.204 3.921 0.31 27.12 ? CB VAL A-4 68 1 
ATOM 4626 C CG1 A VAL A-4 1 68 . 36.464 -11.069 4.307 0.69 23.66 ? CG1 VAL A-4 68 1 
ATOM 4627 C CG1 B VAL A-4 1 68 . 35.498 -13.3 4.972 0.31 30.01 ? CG1 VAL A-4 68 1 
ATOM 4628 C CG2 A VAL A-4 1 68 . 35.58 -13.373 4.868 0.69 26.25 ? CG2 VAL A-4 68 1 
ATOM 4629 C CG2 B VAL A-4 1 68 . 35.908 -12.732 2.572 0.31 27.34 ? CG2 VAL A-4 68 1 
ATOM 4630 H H A VAL A-4 1 68 . 34.148 -10.033 2.695 0.69 23.9 ? H VAL A-4 68 1 
ATOM 4631 H H B VAL A-4 1 68 . 34.164 -10.04 2.699 0.31 23.9 ? H VAL A-4 68 1 
ATOM 4632 H HA A VAL A-4 1 68 . 33.439 -12.415 3.753 0.69 24.36 ? HA VAL A-4 68 1 
ATOM 4633 H HA B VAL A-4 1 68 . 33.384 -12.416 3.74 0.31 27.24 ? HA VAL A-4 68 1 
ATOM 4634 H HB A VAL A-4 1 68 . 35.762 -12.494 3.034 0.69 26.41 ? HB VAL A-4 68 1 
ATOM 4635 H HB B VAL A-4 1 68 . 36.023 -11.485 4.193 0.31 32.55 ? HB VAL A-4 68 1 
ATOM 4636 H HG11 A VAL A-4 1 68 . 35.969 -10.242 4.418 0.69 28.39 ? HG11 VAL A-4 68 1 
ATOM 4637 H HG11 B VAL A-4 1 68 . 36.41 -13.625 5.031 0.31 36.01 ? HG11 VAL A-4 68 1 
ATOM 4638 H HG12 A VAL A-4 1 68 . 36.896 -11.311 5.141 0.69 28.39 ? HG12 VAL A-4 68 1 
ATOM 4639 H HG12 B VAL A-4 1 68 . 35.221 -12.934 5.827 0.31 36.01 ? HG12 VAL A-4 68 1 
ATOM 4640 H HG13 A VAL A-4 1 68 . 37.127 -10.966 3.607 0.69 28.39 ? HG13 VAL A-4 68 1 
ATOM 4641 H HG13 B VAL A-4 1 68 . 34.904 -14.022 4.713 0.31 36.01 ? HG13 VAL A-4 68 1 
ATOM 4642 H HG21 A VAL A-4 1 68 . 34.696 -13.558 5.222 0.69 31.5 ? HG21 VAL A-4 68 1 
ATOM 4643 H HG21 B VAL A-4 1 68 . 36.813 -13.069 2.667 0.31 32.81 ? HG21 VAL A-4 68 1 
ATOM 4644 H HG22 A VAL A-4 1 68 . 35.911 -14.144 4.381 0.69 31.5 ? HG22 VAL A-4 68 1 
ATOM 4645 H HG22 B VAL A-4 1 68 . 35.317 -13.447 2.286 0.31 32.81 ? HG22 VAL A-4 68 1 
ATOM 4646 H HG23 A VAL A-4 1 68 . 36.187 -13.154 5.593 0.69 31.5 ? HG23 VAL A-4 68 1 
ATOM 4647 H HG23 B VAL A-4 1 68 . 35.89 -12.009 1.926 0.31 32.81 ? HG23 VAL A-4 68 1 
ATOM 4648 N N . SER A-4 1 69 . 33.023 -11.547 5.993 1 22.28 ? N SER A-4 69 1 
ATOM 4649 C CA A SER A-4 1 69 . 32.706 -10.969 7.293 0.74 25.23 ? CA SER A-4 69 1 
ATOM 4650 C CA B SER A-4 1 69 . 32.699 -10.947 7.278 0.26 25.57 ? CA SER A-4 69 1 
ATOM 4651 C C . SER A-4 1 69 . 33.97 -10.566 8.009 1 28.28 ? C SER A-4 69 1 
ATOM 4652 O O . SER A-4 1 69 . 34.909 -11.393 8.143 1 29.46 ? O SER A-4 69 1 
ATOM 4653 C CB A SER A-4 1 69 . 31.937 -11.993 8.12 0.74 27.46 ? CB SER A-4 69 1 
ATOM 4654 C CB B SER A-4 1 69 . 31.885 -11.913 8.13 0.26 27.57 ? CB SER A-4 69 1 
ATOM 4655 O OG A SER A-4 1 69 . 31.614 -11.471 9.4 0.74 29.62 ? OG SER A-4 69 1 
ATOM 4656 O OG B SER A-4 1 69 . 32.652 -13.046 8.493 0.26 29.93 ? OG SER A-4 69 1 
ATOM 4657 H H A SER A-4 1 69 . 32.772 -12.366 5.911 0.74 26.74 ? H SER A-4 69 1 
ATOM 4658 H H B SER A-4 1 69 . 32.779 -12.369 5.921 0.26 26.74 ? H SER A-4 69 1 
ATOM 4659 H HA A SER A-4 1 69 . 32.15 -10.183 7.175 0.74 30.27 ? HA SER A-4 69 1 
ATOM 4660 H HA B SER A-4 1 69 . 32.174 -10.144 7.136 0.26 30.69 ? HA SER A-4 69 1 
ATOM 4661 H HB2 A SER A-4 1 69 . 31.116 -12.222 7.656 0.74 32.96 ? HB2 SER A-4 69 1 
ATOM 4662 H HB2 B SER A-4 1 69 . 31.597 -11.456 8.937 0.26 33.09 ? HB2 SER A-4 69 1 
ATOM 4663 H HB3 A SER A-4 1 69 . 32.486 -12.785 8.231 0.74 32.96 ? HB3 SER A-4 69 1 
ATOM 4664 H HB3 B SER A-4 1 69 . 31.112 -12.206 7.623 0.26 33.09 ? HB3 SER A-4 69 1 
ATOM 4665 H HG A SER A-4 1 69 . 31.138 -10.784 9.318 0.74 35.54 ? HG SER A-4 69 1 
ATOM 4666 H HG B SER A-4 1 69 . 32.191 -13.568 8.961 0.26 35.92 ? HG SER A-4 69 1 
ATOM 4667 N N . HIS A-4 1 70 . 34.036 -9.305 8.443 1 40.25 ? N HIS A-4 70 1 
ATOM 4668 C CA . HIS A-4 1 70 . 35.185 -8.81 9.213 1 58.65 ? CA HIS A-4 70 1 
ATOM 4669 C C . HIS A-4 1 70 . 34.84 -7.543 9.983 1 92.95 ? C HIS A-4 70 1 
ATOM 4670 O O . HIS A-4 1 70 . 33.769 -6.967 9.796 1 119.89 ? O HIS A-4 70 1 
ATOM 4671 C CB . HIS A-4 1 70 . 36.387 -8.541 8.303 1 43.68 ? CB HIS A-4 70 1 
ATOM 4672 C CG . HIS A-4 1 70 . 36.162 -7.445 7.308 1 35.21 ? CG HIS A-4 70 1 
ATOM 4673 N ND1 . HIS A-4 1 70 . 35.498 -7.648 6.111 1 34.11 ? ND1 HIS A-4 70 1 
ATOM 4674 C CD2 . HIS A-4 1 70 . 36.561 -6.145 7.313 1 34.6 ? CD2 HIS A-4 70 1 
ATOM 4675 C CE1 . HIS A-4 1 70 . 35.476 -6.508 5.436 1 33.47 ? CE1 HIS A-4 70 1 
ATOM 4676 N NE2 . HIS A-4 1 70 . 36.121 -5.586 6.139 1 35.17 ? NE2 HIS A-4 70 1 
ATOM 4677 H H . HIS A-4 1 70 . 33.427 -8.713 8.305 1 48.3 ? H HIS A-4 70 1 
ATOM 4678 H HA . HIS A-4 1 70 . 35.446 -9.487 9.856 1 70.38 ? HA HIS A-4 70 1 
ATOM 4679 H HB2 . HIS A-4 1 70 . 37.146 -8.29 8.853 1 52.41 ? HB2 HIS A-4 70 1 
ATOM 4680 H HB3 . HIS A-4 1 70 . 36.593 -9.351 7.81 1 52.41 ? HB3 HIS A-4 70 1 
ATOM 4681 H HD1 . HIS A-4 1 70 . 35.145 -8.388 5.854 1 40.93 ? HD1 HIS A-4 70 1 
ATOM 4682 H HD2 . HIS A-4 1 70 . 37.038 -5.716 7.986 1 41.52 ? HD2 HIS A-4 70 1 
ATOM 4683 H HE1 . HIS A-4 1 70 . 35.083 -6.379 4.604 1 40.16 ? HE1 HIS A-4 70 1 
ATOM 4684 H HE2 . HIS A-4 1 70 . 36.233 -4.766 5.903 1 42.21 ? HE2 HIS A-4 70 1 
ATOM 4685 N N . SER A-5 1 6 . 72.672 -12.121 14.384 1 42.4 ? N SER A-5 6 1 
ATOM 4686 C CA . SER A-5 1 6 . 73.294 -13.349 14.868 1 38.11 ? CA SER A-5 6 1 
ATOM 4687 C C . SER A-5 1 6 . 74.073 -14.049 13.75 1 27.53 ? C SER A-5 6 1 
ATOM 4688 O O . SER A-5 1 6 . 75.031 -14.786 14.041 1 30.47 ? O SER A-5 6 1 
ATOM 4689 C CB . SER A-5 1 6 . 72.243 -14.304 15.443 1 44.85 ? CB SER A-5 6 1 
ATOM 4690 O OG . SER A-5 1 6 . 72.827 -15.57 15.701 1 49.08 ? OG SER A-5 6 1 
ATOM 4691 H HA . SER A-5 1 6 . 73.919 -13.127 15.577 1 45.73 ? HA SER A-5 6 1 
ATOM 4692 H HB2 . SER A-5 1 6 . 71.9 -13.936 16.273 1 53.82 ? HB2 SER A-5 6 1 
ATOM 4693 H HB3 . SER A-5 1 6 . 71.524 -14.41 14.801 1 53.82 ? HB3 SER A-5 6 1 
ATOM 4694 H HG . SER A-5 1 6 . 73.453 -15.489 16.254 1 58.9 ? HG SER A-5 6 1 
ATOM 4695 N N . LEU A-5 1 7 . 73.604 -13.905 12.522 1 20.91 ? N LEU A-5 7 1 
ATOM 4696 C CA . LEU A-5 1 7 . 74.337 -14.414 11.376 1 17.82 ? CA LEU A-5 7 1 
ATOM 4697 C C . LEU A-5 1 7 . 74.929 -13.309 10.553 1 15.24 ? C LEU A-5 7 1 
ATOM 4698 O O . LEU A-5 1 7 . 76.063 -13.407 10.059 1 15.55 ? O LEU A-5 7 1 
ATOM 4699 C CB . LEU A-5 1 7 . 73.337 -15.216 10.575 1 21.87 ? CB LEU A-5 7 1 
ATOM 4700 C CG . LEU A-5 1 7 . 73.69 -15.773 9.249 1 32.23 ? CG LEU A-5 7 1 
ATOM 4701 C CD1 . LEU A-5 1 7 . 74.842 -16.74 9.47 1 37.58 ? CD1 LEU A-5 7 1 
ATOM 4702 C CD2 . LEU A-5 1 7 . 72.42 -16.49 8.797 1 35.21 ? CD2 LEU A-5 7 1 
ATOM 4703 H H . LEU A-5 1 7 . 72.863 -13.515 12.324 1 25.1 ? H LEU A-5 7 1 
ATOM 4704 H HA . LEU A-5 1 7 . 75.048 -15.003 11.673 1 21.38 ? HA LEU A-5 7 1 
ATOM 4705 H HB2 . LEU A-5 1 7 . 73.069 -15.97 11.123 1 26.25 ? HB2 LEU A-5 7 1 
ATOM 4706 H HB3 . LEU A-5 1 7 . 72.563 -14.648 10.433 1 26.25 ? HB3 LEU A-5 7 1 
ATOM 4707 H HG . LEU A-5 1 7 . 73.937 -15.077 8.621 1 38.68 ? HG LEU A-5 7 1 
ATOM 4708 H HD11 . LEU A-5 1 7 . 75.59 -16.256 9.854 1 45.1 ? HD11 LEU A-5 7 1 
ATOM 4709 H HD12 . LEU A-5 1 7 . 74.553 -17.44 10.076 1 45.1 ? HD12 LEU A-5 7 1 
ATOM 4710 H HD13 . LEU A-5 1 7 . 75.098 -17.124 8.618 1 45.1 ? HD13 LEU A-5 7 1 
ATOM 4711 H HD21 . LEU A-5 1 7 . 72.202 -17.182 9.441 1 42.25 ? HD21 LEU A-5 7 1 
ATOM 4712 H HD22 . LEU A-5 1 7 . 71.697 -15.847 8.744 1 42.25 ? HD22 LEU A-5 7 1 
ATOM 4713 H HD23 . LEU A-5 1 7 . 72.575 -16.886 7.925 1 42.25 ? HD23 LEU A-5 7 1 
ATOM 4714 N N . GLN A-5 1 8 . 74.22 -12.206 10.413 1 14.65 ? N GLN A-5 8 1 
ATOM 4715 C CA . GLN A-5 1 8 . 74.665 -11.114 9.586 1 13.73 ? CA GLN A-5 8 1 
ATOM 4716 C C . GLN A-5 1 8 . 76.022 -10.559 10.077 1 13.27 ? C GLN A-5 8 1 
ATOM 4717 O O . GLN A-5 1 8 . 76.919 -10.333 9.3 1 13.98 ? O GLN A-5 8 1 
ATOM 4718 C CB . GLN A-5 1 8 . 73.611 -10.006 9.619 1 13.51 ? CB GLN A-5 8 1 
ATOM 4719 C CG . GLN A-5 1 8 . 74.019 -8.834 8.747 1 13.39 ? CG GLN A-5 8 1 
ATOM 4720 C CD . GLN A-5 1 8 . 73.118 -7.615 8.828 1 13.61 ? CD GLN A-5 8 1 
ATOM 4721 O OE1 . GLN A-5 1 8 . 73.427 -6.604 8.181 1 13.58 ? OE1 GLN A-5 8 1 
ATOM 4722 N NE2 . GLN A-5 1 8 . 72.029 -7.685 9.561 1 14.77 ? NE2 GLN A-5 8 1 
ATOM 4723 H H . GLN A-5 1 8 . 73.464 -12.067 10.796 1 17.59 ? H GLN A-5 8 1 
ATOM 4724 H HA . GLN A-5 1 8 . 74.766 -11.417 8.67 1 16.47 ? HA GLN A-5 8 1 
ATOM 4725 H HB2 . GLN A-5 1 8 . 72.769 -10.354 9.287 1 16.22 ? HB2 GLN A-5 8 1 
ATOM 4726 H HB3 . GLN A-5 1 8 . 73.509 -9.688 10.53 1 16.22 ? HB3 GLN A-5 8 1 
ATOM 4727 H HG2 . GLN A-5 1 8 . 74.911 -8.554 9.008 1 16.06 ? HG2 GLN A-5 8 1 
ATOM 4728 H HG3 . GLN A-5 1 8 . 74.03 -9.128 7.823 1 16.06 ? HG3 GLN A-5 8 1 
ATOM 4729 H HE21 . GLN A-5 1 8 . 71.506 -7.004 9.619 1 17.72 ? HE21 GLN A-5 8 1 
ATOM 4730 H HE22 . GLN A-5 1 8 . 71.841 -8.41 9.982 1 17.72 ? HE22 GLN A-5 8 1 
ATOM 4731 N N . ASP A-5 1 9 . 76.106 -10.262 11.364 1 14.81 ? N ASP A-5 9 1 
ATOM 4732 C CA . ASP A-5 1 9 . 77.321 -9.661 11.898 1 16.02 ? CA ASP A-5 9 1 
ATOM 4733 C C . ASP A-5 1 9 . 78.541 -10.594 11.74 1 15.74 ? C ASP A-5 9 1 
ATOM 4734 O O . ASP A-5 1 9 . 79.549 -10.139 11.214 1 16.58 ? O ASP A-5 9 1 
ATOM 4735 C CB . ASP A-5 1 9 . 77.073 -9.249 13.348 1 19.19 ? CB ASP A-5 9 1 
ATOM 4736 C CG . ASP A-5 1 9 . 78.284 -8.809 14.057 1 22.22 ? CG ASP A-5 9 1 
ATOM 4737 O OD1 . ASP A-5 1 9 . 78.682 -7.654 13.917 0.44 22.76 ? OD1 ASP A-5 9 1 
ATOM 4738 O OD2 . ASP A-5 1 9 . 78.853 -9.608 14.802 0.37 21.47 ? OD2 ASP A-5 9 1 
ATOM 4739 H H . ASP A-5 1 9 . 75.485 -10.395 11.944 1 17.78 ? H ASP A-5 9 1 
ATOM 4740 H HA . ASP A-5 1 9 . 77.509 -8.852 11.395 1 19.23 ? HA ASP A-5 9 1 
ATOM 4741 H HB2 . ASP A-5 1 9 . 76.439 -8.515 13.36 1 23.02 ? HB2 ASP A-5 9 1 
ATOM 4742 H HB3 . ASP A-5 1 9 . 76.706 -10.008 13.829 1 23.02 ? HB3 ASP A-5 9 1 
ATOM 4743 N N . PRO A-5 1 10 . 78.463 -11.882 12.119 1 16.43 ? N PRO A-5 10 1 
ATOM 4744 C CA A PRO A-5 1 10 . 79.683 -12.675 11.885 0.94 18.58 ? CA PRO A-5 10 1 
ATOM 4745 C CA B PRO A-5 1 10 . 79.663 -12.698 11.887 0.06 16.46 ? CA PRO A-5 10 1 
ATOM 4746 C C . PRO A-5 1 10 . 80.024 -12.852 10.401 1 16.76 ? C PRO A-5 10 1 
ATOM 4747 O O . PRO A-5 1 10 . 81.199 -12.947 10.077 1 16.14 ? O PRO A-5 10 1 
ATOM 4748 C CB A PRO A-5 1 10 . 79.4 -14.011 12.604 0.94 22.9 ? CB PRO A-5 10 1 
ATOM 4749 C CB B PRO A-5 1 10 . 79.307 -14.049 12.525 0.06 16.72 ? CB PRO A-5 10 1 
ATOM 4750 C CG A PRO A-5 1 10 . 77.988 -13.956 12.938 0.94 22.9 ? CG PRO A-5 10 1 
ATOM 4751 C CG B PRO A-5 1 10 . 77.839 -14.005 12.768 0.06 16.67 ? CG PRO A-5 10 1 
ATOM 4752 C CD A PRO A-5 1 10 . 77.506 -12.567 12.988 0.94 18.61 ? CD PRO A-5 10 1 
ATOM 4753 C CD B PRO A-5 1 10 . 77.459 -12.579 12.934 0.06 15.79 ? CD PRO A-5 10 1 
ATOM 4754 H HA A PRO A-5 1 10 . 80.435 -12.245 12.322 0.94 22.3 ? HA PRO A-5 10 1 
ATOM 4755 H HA B PRO A-5 1 10 . 80.42 -12.315 12.357 0.06 19.75 ? HA PRO A-5 10 1 
ATOM 4756 H HB2 A PRO A-5 1 10 . 79.583 -14.753 12.005 0.94 27.48 ? HB2 PRO A-5 10 1 
ATOM 4757 H HB2 B PRO A-5 1 10 . 79.53 -14.767 11.912 0.06 20.07 ? HB2 PRO A-5 10 1 
ATOM 4758 H HB3 A PRO A-5 1 10 . 79.942 -14.074 13.407 0.94 27.48 ? HB3 PRO A-5 10 1 
ATOM 4759 H HB3 B PRO A-5 1 10 . 79.789 -14.15 13.36 0.06 20.07 ? HB3 PRO A-5 10 1 
ATOM 4760 H HG2 A PRO A-5 1 10 . 77.492 -14.446 12.264 0.94 27.48 ? HG2 PRO A-5 10 1 
ATOM 4761 H HG2 B PRO A-5 1 10 . 77.376 -14.39 12.008 0.06 20 ? HG2 PRO A-5 10 1 
ATOM 4762 H HG3 A PRO A-5 1 10 . 77.86 -14.375 13.804 0.94 27.48 ? HG3 PRO A-5 10 1 
ATOM 4763 H HG3 B PRO A-5 1 10 . 77.633 -14.504 13.575 0.06 20 ? HG3 PRO A-5 10 1 
ATOM 4764 H HD2 A PRO A-5 1 10 . 76.608 -12.502 12.626 0.94 22.33 ? HD2 PRO A-5 10 1 
ATOM 4765 H HD2 B PRO A-5 1 10 . 76.568 -12.422 12.584 0.06 18.94 ? HD2 PRO A-5 10 1 
ATOM 4766 H HD3 A PRO A-5 1 10 . 77.556 -12.219 13.893 0.94 22.33 ? HD3 PRO A-5 10 1 
ATOM 4767 H HD3 B PRO A-5 1 10 . 77.531 -12.313 13.864 0.06 18.94 ? HD3 PRO A-5 10 1 
ATOM 4768 N N . PHE A-5 1 11 . 79.033 -12.876 9.51 1 15.25 ? N PHE A-5 11 1 
ATOM 4769 C CA . PHE A-5 1 11 . 79.311 -13.011 8.09 1 14.68 ? CA PHE A-5 11 1 
ATOM 4770 C C . PHE A-5 1 11 . 80.034 -11.777 7.59 1 13.41 ? C PHE A-5 11 1 
ATOM 4771 O O . PHE A-5 1 11 . 81.055 -11.856 6.932 1 14.32 ? O PHE A-5 11 1 
ATOM 4772 C CB . PHE A-5 1 11 . 77.996 -13.252 7.33 1 14.91 ? CB PHE A-5 11 1 
ATOM 4773 C CG . PHE A-5 1 11 . 78.211 -13.655 5.919 1 15.72 ? CG PHE A-5 11 1 
ATOM 4774 C CD1 . PHE A-5 1 11 . 78.639 -14.965 5.61 1 20.17 ? CD1 PHE A-5 11 1 
ATOM 4775 C CD2 . PHE A-5 1 11 . 77.95 -12.784 4.88 1 16.55 ? CD2 PHE A-5 11 1 
ATOM 4776 C CE1 . PHE A-5 1 11 . 78.789 -15.364 4.29 1 21.93 ? CE1 PHE A-5 11 1 
ATOM 4777 C CE2 . PHE A-5 1 11 . 78.105 -13.196 3.501 1 18.03 ? CE2 PHE A-5 11 1 
ATOM 4778 C CZ . PHE A-5 1 11 . 78.514 -14.485 3.265 1 19.5 ? CZ PHE A-5 11 1 
ATOM 4779 H H . PHE A-5 1 11 . 78.199 -12.817 9.705 1 18.3 ? H PHE A-5 11 1 
ATOM 4780 H HA . PHE A-5 1 11 . 79.887 -13.777 7.949 1 17.62 ? HA PHE A-5 11 1 
ATOM 4781 H HB2 . PHE A-5 1 11 . 77.502 -13.959 7.772 1 17.89 ? HB2 PHE A-5 11 1 
ATOM 4782 H HB3 . PHE A-5 1 11 . 77.476 -12.433 7.332 1 17.89 ? HB3 PHE A-5 11 1 
ATOM 4783 H HD1 . PHE A-5 1 11 . 78.805 -15.569 6.297 1 24.2 ? HD1 PHE A-5 11 1 
ATOM 4784 H HD2 . PHE A-5 1 11 . 77.652 -11.923 5.069 1 19.85 ? HD2 PHE A-5 11 1 
ATOM 4785 H HE1 . PHE A-5 1 11 . 79.075 -16.226 4.097 1 26.31 ? HE1 PHE A-5 11 1 
ATOM 4786 H HE2 . PHE A-5 1 11 . 77.932 -12.609 2.8 1 21.64 ? HE2 PHE A-5 11 1 
ATOM 4787 H HZ . PHE A-5 1 11 . 78.643 -14.764 2.387 1 23.41 ? HZ PHE A-5 11 1 
ATOM 4788 N N . LEU A-5 1 12 . 79.457 -10.606 7.851 1 13.43 ? N LEU A-5 12 1 
ATOM 4789 C CA . LEU A-5 1 12 . 80.117 -9.362 7.436 1 13.5 ? CA LEU A-5 12 1 
ATOM 4790 C C . LEU A-5 1 12 . 81.471 -9.201 8.093 1 13.15 ? C LEU A-5 12 1 
ATOM 4791 O O . LEU A-5 1 12 . 82.424 -8.725 7.429 1 14.08 ? O LEU A-5 12 1 
ATOM 4792 C CB . LEU A-5 1 12 . 79.226 -8.154 7.747 1 14.18 ? CB LEU A-5 12 1 
ATOM 4793 C CG . LEU A-5 1 12 . 77.929 -8.066 6.918 1 13.82 ? CG LEU A-5 12 1 
ATOM 4794 C CD1 . LEU A-5 1 12 . 77.139 -6.893 7.351 1 15.22 ? CD1 LEU A-5 12 1 
ATOM 4795 C CD2 . LEU A-5 1 12 . 78.203 -8.041 5.39 1 16.44 ? CD2 LEU A-5 12 1 
ATOM 4796 H H . LEU A-5 1 12 . 78.705 -10.502 8.255 1 16.12 ? H LEU A-5 12 1 
ATOM 4797 H HA . LEU A-5 1 12 . 80.257 -9.387 6.476 1 16.2 ? HA LEU A-5 12 1 
ATOM 4798 H HB2 . LEU A-5 1 12 . 78.972 -8.192 8.682 1 17.01 ? HB2 LEU A-5 12 1 
ATOM 4799 H HB3 . LEU A-5 1 12 . 79.735 -7.345 7.581 1 17.01 ? HB3 LEU A-5 12 1 
ATOM 4800 H HG . LEU A-5 1 12 . 77.397 -8.855 7.101 1 16.58 ? HG LEU A-5 12 1 
ATOM 4801 H HD11 . LEU A-5 1 12 . 76.919 -6.991 8.29 1 18.26 ? HD11 LEU A-5 12 1 
ATOM 4802 H HD12 . LEU A-5 1 12 . 77.667 -6.091 7.216 1 18.26 ? HD12 LEU A-5 12 1 
ATOM 4803 H HD13 . LEU A-5 1 12 . 76.327 -6.848 6.822 1 18.26 ? HD13 LEU A-5 12 1 
ATOM 4804 H HD21 . LEU A-5 1 12 . 78.669 -8.854 5.139 1 19.72 ? HD21 LEU A-5 12 1 
ATOM 4805 H HD22 . LEU A-5 1 12 . 77.358 -7.984 4.919 1 19.72 ? HD22 LEU A-5 12 1 
ATOM 4806 H HD23 . LEU A-5 1 12 . 78.751 -7.267 5.181 1 19.72 ? HD23 LEU A-5 12 1 
ATOM 4807 N N . ASN A-5 1 13 . 81.588 -9.571 9.35 1 13.9 ? N ASN A-5 13 1 
ATOM 4808 C CA . ASN A-5 1 13 . 82.894 -9.449 9.986 1 14.79 ? CA ASN A-5 13 1 
ATOM 4809 C C . ASN A-5 1 13 . 83.929 -10.365 9.394 1 14.44 ? C ASN A-5 13 1 
ATOM 4810 O O . ASN A-5 1 13 . 85.088 -9.981 9.304 1 14.98 ? O ASN A-5 13 1 
ATOM 4811 C CB . ASN A-5 1 13 . 82.743 -9.695 11.47 1 17.66 ? CB ASN A-5 13 1 
ATOM 4812 C CG . ASN A-5 1 13 . 83.856 -9.109 12.234 1 28.36 ? CG ASN A-5 13 1 
ATOM 4813 O OD1 . ASN A-5 1 13 . 84.104 -7.911 12.128 1 31.7 ? OD1 ASN A-5 13 1 
ATOM 4814 N ND2 . ASN A-5 1 13 . 84.554 -9.946 13.006 1 31.96 ? ND2 ASN A-5 13 1 
ATOM 4815 H H . ASN A-5 1 13 . 80.959 -9.886 9.846 1 16.68 ? H ASN A-5 13 1 
ATOM 4816 H HA . ASN A-5 1 13 . 83.209 -8.539 9.871 1 17.75 ? HA ASN A-5 13 1 
ATOM 4817 H HB2 . ASN A-5 1 13 . 81.918 -9.292 11.779 1 21.19 ? HB2 ASN A-5 13 1 
ATOM 4818 H HB3 . ASN A-5 1 13 . 82.731 -10.651 11.636 1 21.19 ? HB3 ASN A-5 13 1 
ATOM 4819 H HD21 . ASN A-5 1 13 . 85.214 -9.651 13.472 1 38.35 ? HD21 ASN A-5 13 1 
ATOM 4820 H HD22 . ASN A-5 1 13 . 84.342 -10.779 13.038 1 38.35 ? HD22 ASN A-5 13 1 
ATOM 4821 N N . ALA A-5 1 14 . 83.53 -11.557 8.967 1 14.72 ? N ALA A-5 14 1 
ATOM 4822 C CA . ALA A-5 1 14 . 84.465 -12.462 8.339 1 15.49 ? CA ALA A-5 14 1 
ATOM 4823 C C . ALA A-5 1 14 . 84.943 -11.856 7.013 1 14.26 ? C ALA A-5 14 1 
ATOM 4824 O O . ALA A-5 1 14 . 86.138 -11.902 6.706 1 15.89 ? O ALA A-5 14 1 
ATOM 4825 C CB . ALA A-5 1 14 . 83.828 -13.809 8.146 1 16.6 ? CB ALA A-5 14 1 
ATOM 4826 H H . ALA A-5 1 14 . 82.728 -11.859 9.032 1 17.66 ? H ALA A-5 14 1 
ATOM 4827 H HA . ALA A-5 1 14 . 85.237 -12.573 8.916 1 18.59 ? HA ALA A-5 14 1 
ATOM 4828 H HB1 . ALA A-5 1 14 . 83.569 -14.162 9.012 1 19.93 ? HB1 ALA A-5 14 1 
ATOM 4829 H HB2 . ALA A-5 1 14 . 83.046 -13.71 7.581 1 19.93 ? HB2 ALA A-5 14 1 
ATOM 4830 H HB3 . ALA A-5 1 14 . 84.469 -14.402 7.724 1 19.93 ? HB3 ALA A-5 14 1 
ATOM 4831 N N . LEU A-5 1 15 . 84.031 -11.298 6.23 1 14.03 ? N LEU A-5 15 1 
ATOM 4832 C CA . LEU A-5 1 15 . 84.41 -10.691 4.986 1 14.69 ? CA LEU A-5 15 1 
ATOM 4833 C C . LEU A-5 1 15 . 85.346 -9.546 5.212 1 14.5 ? C LEU A-5 15 1 
ATOM 4834 O O . LEU A-5 1 15 . 86.323 -9.357 4.461 1 14.99 ? O LEU A-5 15 1 
ATOM 4835 C CB . LEU A-5 1 15 . 83.166 -10.227 4.23 1 15.47 ? CB LEU A-5 15 1 
ATOM 4836 C CG . LEU A-5 1 15 . 82.298 -11.375 3.744 1 17.7 ? CG LEU A-5 15 1 
ATOM 4837 C CD1 . LEU A-5 1 15 . 80.949 -10.821 3.262 1 19.38 ? CD1 LEU A-5 15 1 
ATOM 4838 C CD2 . LEU A-5 1 15 . 82.974 -12.23 2.657 1 20.36 ? CD2 LEU A-5 15 1 
ATOM 4839 H H . LEU A-5 1 15 . 83.19 -11.261 6.404 1 16.84 ? H LEU A-5 15 1 
ATOM 4840 H HA . LEU A-5 1 15 . 84.867 -11.349 4.438 1 17.63 ? HA LEU A-5 15 1 
ATOM 4841 H HB2 . LEU A-5 1 15 . 82.628 -9.675 4.819 1 18.56 ? HB2 LEU A-5 15 1 
ATOM 4842 H HB3 . LEU A-5 1 15 . 83.443 -9.713 3.456 1 18.56 ? HB3 LEU A-5 15 1 
ATOM 4843 H HG . LEU A-5 1 15 . 82.116 -11.958 4.497 1 21.24 ? HG LEU A-5 15 1 
ATOM 4844 H HD11 . LEU A-5 1 15 . 80.399 -11.558 2.952 1 23.26 ? HD11 LEU A-5 15 1 
ATOM 4845 H HD12 . LEU A-5 1 15 . 80.512 -10.369 4 1 23.26 ? HD12 LEU A-5 15 1 
ATOM 4846 H HD13 . LEU A-5 1 15 . 81.106 -10.197 2.536 1 23.26 ? HD13 LEU A-5 15 1 
ATOM 4847 H HD21 . LEU A-5 1 15 . 82.369 -12.941 2.393 1 24.43 ? HD21 LEU A-5 15 1 
ATOM 4848 H HD22 . LEU A-5 1 15 . 83.178 -11.668 1.894 1 24.43 ? HD22 LEU A-5 15 1 
ATOM 4849 H HD23 . LEU A-5 1 15 . 83.792 -12.61 3.017 1 24.43 ? HD23 LEU A-5 15 1 
ATOM 4850 N N . ARG A-5 1 16 . 85.066 -8.72 6.207 1 13.56 ? N ARG A-5 16 1 
ATOM 4851 C CA . ARG A-5 1 16 . 85.914 -7.577 6.531 1 14 ? CA ARG A-5 16 1 
ATOM 4852 C C . ARG A-5 1 16 . 87.269 -8.056 6.993 1 14.32 ? C ARG A-5 16 1 
ATOM 4853 O O . ARG A-5 1 16 . 88.312 -7.586 6.492 1 16.03 ? O ARG A-5 16 1 
ATOM 4854 C CB . ARG A-5 1 16 . 85.232 -6.784 7.656 1 14.94 ? CB ARG A-5 16 1 
ATOM 4855 C CG . ARG A-5 1 16 . 86.022 -5.593 8.068 1 17.06 ? CG ARG A-5 16 1 
ATOM 4856 C CD . ARG A-5 1 16 . 85.481 -4.959 9.348 1 20.14 ? CD ARG A-5 16 1 
ATOM 4857 N NE . ARG A-5 1 16 . 85.645 -5.887 10.476 1 27.12 ? NE ARG A-5 16 1 
ATOM 4858 C CZ . ARG A-5 1 16 . 86.811 -6.184 11.039 1 37.34 ? CZ ARG A-5 16 1 
ATOM 4859 N NH1 . ARG A-5 1 16 . 87.931 -5.565 10.642 1 39.8 ? NH1 ARG A-5 16 1 
ATOM 4860 N NH2 . ARG A-5 1 16 . 86.865 -7.063 12.033 1 40.18 ? NH2 ARG A-5 16 1 
ATOM 4861 H H . ARG A-5 1 16 . 84.379 -8.799 6.719 1 16.27 ? H ARG A-5 16 1 
ATOM 4862 H HA . ARG A-5 1 16 . 86.021 -7.006 5.755 1 16.8 ? HA ARG A-5 16 1 
ATOM 4863 H HB2 . ARG A-5 1 16 . 84.364 -6.478 7.347 1 17.92 ? HB2 ARG A-5 16 1 
ATOM 4864 H HB3 . ARG A-5 1 16 . 85.125 -7.358 8.43 1 17.92 ? HB3 ARG A-5 16 1 
ATOM 4865 H HG2 . ARG A-5 1 16 . 86.94 -5.861 8.228 1 20.47 ? HG2 ARG A-5 16 1 
ATOM 4866 H HG3 . ARG A-5 1 16 . 85.987 -4.928 7.363 1 20.47 ? HG3 ARG A-5 16 1 
ATOM 4867 H HD2 . ARG A-5 1 16 . 85.975 -4.147 9.542 1 24.17 ? HD2 ARG A-5 16 1 
ATOM 4868 H HD3 . ARG A-5 1 16 . 84.536 -4.768 9.241 1 24.17 ? HD3 ARG A-5 16 1 
ATOM 4869 H HE . ARG A-5 1 16 . 84.939 -6.264 10.792 1 32.55 ? HE ARG A-5 16 1 
ATOM 4870 H HH11 . ARG A-5 1 16 . 87.904 -5 9.994 1 47.76 ? HH11 ARG A-5 16 1 
ATOM 4871 H HH12 . ARG A-5 1 16 . 88.682 -5.752 11.018 1 47.76 ? HH12 ARG A-5 16 1 
ATOM 4872 H HH21 . ARG A-5 1 16 . 86.147 -7.451 12.303 1 48.21 ? HH21 ARG A-5 16 1 
ATOM 4873 H HH22 . ARG A-5 1 16 . 87.617 -7.235 12.415 1 48.21 ? HH22 ARG A-5 16 1 
ATOM 4874 N N . ARG A-5 1 17 . 87.331 -8.964 7.965 1 15.46 ? N ARG A-5 17 1 
ATOM 4875 C CA . ARG A-5 1 17 . 88.575 -9.408 8.539 1 18.16 ? CA ARG A-5 17 1 
ATOM 4876 C C . ARG A-5 1 17 . 89.469 -10.069 7.479 1 18.03 ? C ARG A-5 17 1 
ATOM 4877 O O . ARG A-5 1 17 . 90.687 -9.855 7.429 1 19.82 ? O ARG A-5 17 1 
ATOM 4878 C CB . ARG A-5 1 17 . 88.259 -10.415 9.65 1 22.42 ? CB ARG A-5 17 1 
ATOM 4879 C CG . ARG A-5 1 17 . 89.467 -11.073 10.307 1 31.87 ? CG ARG A-5 17 1 
ATOM 4880 C CD . ARG A-5 1 17 . 89.024 -12.203 11.237 1 40.81 ? CD ARG A-5 17 1 
ATOM 4881 N NE . ARG A-5 1 17 . 88.507 -13.358 10.501 1 50.12 ? NE ARG A-5 17 1 
ATOM 4882 C CZ . ARG A-5 1 17 . 87.27 -13.851 10.617 1 55.05 ? CZ ARG A-5 17 1 
ATOM 4883 N NH1 . ARG A-5 1 17 . 86.384 -13.315 11.462 1 53.28 ? NH1 ARG A-5 17 1 
ATOM 4884 N NH2 . ARG A-5 1 17 . 86.913 -14.904 9.883 1 58.26 ? NH2 ARG A-5 17 1 
ATOM 4885 H H . ARG A-5 1 17 . 86.64 -9.344 8.31 1 18.56 ? H ARG A-5 17 1 
ATOM 4886 H HA . ARG A-5 1 17 . 89.05 -8.653 8.923 1 21.79 ? HA ARG A-5 17 1 
ATOM 4887 H HB2 . ARG A-5 1 17 . 87.764 -9.956 10.347 1 26.91 ? HB2 ARG A-5 17 1 
ATOM 4888 H HB3 . ARG A-5 1 17 . 87.711 -11.122 9.275 1 26.91 ? HB3 ARG A-5 17 1 
ATOM 4889 H HG2 . ARG A-5 1 17 . 90.042 -11.448 9.622 1 38.25 ? HG2 ARG A-5 17 1 
ATOM 4890 H HG3 . ARG A-5 1 17 . 89.948 -10.414 10.831 1 38.25 ? HG3 ARG A-5 17 1 
ATOM 4891 H HD2 . ARG A-5 1 17 . 89.785 -12.497 11.763 1 48.97 ? HD2 ARG A-5 17 1 
ATOM 4892 H HD3 . ARG A-5 1 17 . 88.321 -11.878 11.82 1 48.97 ? HD3 ARG A-5 17 1 
ATOM 4893 H HE . ARG A-5 1 17 . 89.041 -13.75 9.951 1 60.14 ? HE ARG A-5 17 1 
ATOM 4894 H HH11 . ARG A-5 1 17 . 86.603 -12.633 11.939 1 63.94 ? HH11 ARG A-5 17 1 
ATOM 4895 H HH12 . ARG A-5 1 17 . 85.594 -13.647 11.524 1 63.94 ? HH12 ARG A-5 17 1 
ATOM 4896 H HH21 . ARG A-5 1 17 . 87.477 -15.26 9.339 1 69.91 ? HH21 ARG A-5 17 1 
ATOM 4897 H HH22 . ARG A-5 1 17 . 86.121 -15.231 9.957 1 69.91 ? HH22 ARG A-5 17 1 
ATOM 4898 N N . GLU A-5 1 18 . 88.87 -10.883 6.633 1 17.94 ? N GLU A-5 18 1 
ATOM 4899 C CA . GLU A-5 1 18 . 89.639 -11.612 5.617 1 21.59 ? CA GLU A-5 18 1 
ATOM 4900 C C . GLU A-5 1 18 . 89.921 -10.827 4.33 1 30.17 ? C GLU A-5 18 1 
ATOM 4901 O O . GLU A-5 1 18 . 90.65 -11.289 3.423 1 21.22 ? O GLU A-5 18 1 
ATOM 4902 C CB . GLU A-5 1 18 . 88.965 -12.971 5.318 1 26.66 ? CB GLU A-5 18 1 
ATOM 4903 C CG . GLU A-5 1 18 . 88.751 -13.843 6.601 1 31.03 ? CG GLU A-5 18 1 
ATOM 4904 C CD . GLU A-5 1 18 . 89.065 -15.315 6.443 1 34.78 ? CD GLU A-5 18 1 
ATOM 4905 O OE1 . GLU A-5 1 18 . 89.042 -16.01 7.475 0.28 34.49 ? OE1 GLU A-5 18 1 
ATOM 4906 O OE2 . GLU A-5 1 18 . 89.312 -15.777 5.313 0.52 37.51 ? OE2 GLU A-5 18 1 
ATOM 4907 H H . GLU A-5 1 18 . 88.024 -11.038 6.617 1 21.53 ? H GLU A-5 18 1 
ATOM 4908 H HA . GLU A-5 1 18 . 90.505 -11.816 6.004 1 25.9 ? HA GLU A-5 18 1 
ATOM 4909 H HB2 . GLU A-5 1 18 . 88.098 -12.81 4.916 1 32 ? HB2 GLU A-5 18 1 
ATOM 4910 H HB3 . GLU A-5 1 18 . 89.526 -13.473 4.706 1 32 ? HB3 GLU A-5 18 1 
ATOM 4911 H HG2 . GLU A-5 1 18 . 89.319 -13.498 7.306 1 37.23 ? HG2 GLU A-5 18 1 
ATOM 4912 H HG3 . GLU A-5 1 18 . 87.821 -13.77 6.869 1 37.23 ? HG3 GLU A-5 18 1 
ATOM 4913 N N . ARG A-5 1 19 . 89.342 -9.623 4.285 1 53.47 ? N ARG A-5 19 1 
ATOM 4914 C CA . ARG A-5 1 19 . 89.55 -8.691 3.183 1 57.88 ? CA ARG A-5 19 1 
ATOM 4915 C C . ARG A-5 1 19 . 89.147 -9.314 1.859 1 20.77 ? C ARG A-5 19 1 
ATOM 4916 O O . ARG A-5 1 19 . 89.701 -9.026 0.805 1 17.23 ? O ARG A-5 19 1 
ATOM 4917 C CB . ARG A-5 1 19 . 90.992 -8.213 3.159 1 42.32 ? CB ARG A-5 19 1 
ATOM 4918 C CG . ARG A-5 1 19 . 91.384 -7.514 4.453 1 28.97 ? CG ARG A-5 19 1 
ATOM 4919 C CD . ARG A-5 1 19 . 92.834 -7.129 4.447 1 28.43 ? CD ARG A-5 19 1 
ATOM 4920 N NE . ARG A-5 1 19 . 93.214 -6.518 5.72 1 31.43 ? NE ARG A-5 19 1 
ATOM 4921 C CZ . ARG A-5 1 19 . 93.721 -5.292 5.839 1 36.91 ? CZ ARG A-5 19 1 
ATOM 4922 N NH1 . ARG A-5 1 19 . 93.893 -4.53 4.766 1 38.29 ? NH1 ARG A-5 19 1 
ATOM 4923 N NH2 . ARG A-5 1 19 . 94.051 -4.837 7.034 1 38.48 ? NH2 ARG A-5 19 1 
ATOM 4924 H H . ARG A-5 1 19 . 88.816 -9.322 4.895 1 64.16 ? H ARG A-5 19 1 
ATOM 4925 H HA . ARG A-5 1 19 . 88.986 -7.915 3.325 1 69.45 ? HA ARG A-5 19 1 
ATOM 4926 H HB2 . ARG A-5 1 19 . 91.579 -8.976 3.038 1 50.78 ? HB2 ARG A-5 19 1 
ATOM 4927 H HB3 . ARG A-5 1 19 . 91.107 -7.585 2.429 1 50.78 ? HB3 ARG A-5 19 1 
ATOM 4928 H HG2 . ARG A-5 1 19 . 90.856 -6.707 4.554 1 34.77 ? HG2 ARG A-5 19 1 
ATOM 4929 H HG3 . ARG A-5 1 19 . 91.231 -8.113 5.2 1 34.77 ? HG3 ARG A-5 19 1 
ATOM 4930 H HD2 . ARG A-5 1 19 . 93.378 -7.921 4.313 1 34.11 ? HD2 ARG A-5 19 1 
ATOM 4931 H HD3 . ARG A-5 1 19 . 92.994 -6.486 3.739 1 34.11 ? HD3 ARG A-5 19 1 
ATOM 4932 H HE . ARG A-5 1 19 . 93.141 -6.995 6.432 1 37.71 ? HE ARG A-5 19 1 
ATOM 4933 H HH11 . ARG A-5 1 19 . 93.683 -4.83 3.988 1 45.94 ? HH11 ARG A-5 19 1 
ATOM 4934 H HH12 . ARG A-5 1 19 . 94.218 -3.738 4.848 1 45.94 ? HH12 ARG A-5 19 1 
ATOM 4935 H HH21 . ARG A-5 1 19 . 93.934 -5.33 7.728 1 46.18 ? HH21 ARG A-5 19 1 
ATOM 4936 H HH22 . ARG A-5 1 19 . 94.371 -4.043 7.119 1 46.18 ? HH22 ARG A-5 19 1 
ATOM 4937 N N . VAL A-5 1 20 . 88.045 -10.081 1.918 1 16.45 ? N VAL A-5 20 1 
ATOM 4938 C CA . VAL A-5 1 20 . 87.602 -10.809 0.757 1 16.99 ? CA VAL A-5 20 1 
ATOM 4939 C C . VAL A-5 1 20 . 86.899 -9.858 -0.224 1 15.76 ? C VAL A-5 20 1 
ATOM 4940 O O . VAL A-5 1 20 . 85.971 -9.16 0.174 1 17.74 ? O VAL A-5 20 1 
ATOM 4941 C CB . VAL A-5 1 20 . 86.633 -11.932 1.196 1 20.14 ? CB VAL A-5 20 1 
ATOM 4942 C CG1 . VAL A-5 1 20 . 86.072 -12.679 0.02 1 20.23 ? CG1 VAL A-5 20 1 
ATOM 4943 C CG2 . VAL A-5 1 20 . 87.337 -12.841 2.151 1 24.49 ? CG2 VAL A-5 20 1 
ATOM 4944 H H . VAL A-5 1 20 . 87.554 -10.184 2.616 1 19.73 ? H VAL A-5 20 1 
ATOM 4945 H HA . VAL A-5 1 20 . 88.363 -11.21 0.31 1 20.39 ? HA VAL A-5 20 1 
ATOM 4946 H HB . VAL A-5 1 20 . 85.888 -11.531 1.67 1 24.16 ? HB VAL A-5 20 1 
ATOM 4947 H HG11 . VAL A-5 1 20 . 85.472 -13.37 0.342 1 24.27 ? HG11 VAL A-5 20 1 
ATOM 4948 H HG12 . VAL A-5 1 20 . 85.587 -12.057 -0.545 1 24.27 ? HG12 VAL A-5 20 1 
ATOM 4949 H HG13 . VAL A-5 1 20 . 86.801 -13.079 -0.477 1 24.27 ? HG13 VAL A-5 20 1 
ATOM 4950 H HG21 . VAL A-5 1 20 . 86.728 -13.544 2.425 1 29.39 ? HG21 VAL A-5 20 1 
ATOM 4951 H HG22 . VAL A-5 1 20 . 88.11 -13.226 1.708 1 29.39 ? HG22 VAL A-5 20 1 
ATOM 4952 H HG23 . VAL A-5 1 20 . 87.62 -12.327 2.924 1 29.39 ? HG23 VAL A-5 20 1 
ATOM 4953 N N . PRO A-5 1 21 . 87.27 -9.842 -1.494 1 15.57 ? N PRO A-5 21 1 
ATOM 4954 C CA . PRO A-5 1 21 . 86.49 -9.049 -2.465 1 15.95 ? CA PRO A-5 21 1 
ATOM 4955 C C . PRO A-5 1 21 . 85.054 -9.526 -2.486 1 14.66 ? C PRO A-5 21 1 
ATOM 4956 O O . PRO A-5 1 21 . 84.819 -10.759 -2.457 1 15.54 ? O PRO A-5 21 1 
ATOM 4957 C CB . PRO A-5 1 21 . 87.2 -9.284 -3.797 1 18.43 ? CB PRO A-5 21 1 
ATOM 4958 C CG . PRO A-5 1 21 . 88.632 -9.602 -3.38 1 20.03 ? CG PRO A-5 21 1 
ATOM 4959 C CD . PRO A-5 1 21 . 88.453 -10.451 -2.109 1 17.26 ? CD PRO A-5 21 1 
ATOM 4960 H HA . PRO A-5 1 21 . 86.519 -8.106 -2.24 1 19.14 ? HA PRO A-5 21 1 
ATOM 4961 H HB2 . PRO A-5 1 21 . 86.798 -10.034 -4.26 1 22.11 ? HB2 PRO A-5 21 1 
ATOM 4962 H HB3 . PRO A-5 1 21 . 87.166 -8.479 -4.337 1 22.11 ? HB3 PRO A-5 21 1 
ATOM 4963 H HG2 . PRO A-5 1 21 . 89.076 -10.11 -4.078 1 24.03 ? HG2 PRO A-5 21 1 
ATOM 4964 H HG3 . PRO A-5 1 21 . 89.111 -8.782 -3.186 1 24.03 ? HG3 PRO A-5 21 1 
ATOM 4965 H HD2 . PRO A-5 1 21 . 88.28 -11.377 -2.338 1 20.71 ? HD2 PRO A-5 21 1 
ATOM 4966 H HD3 . PRO A-5 1 21 . 89.224 -10.362 -1.527 1 20.71 ? HD3 PRO A-5 21 1 
ATOM 4967 N N . VAL A-5 1 22 . 84.102 -8.609 -2.504 1 13.99 ? N VAL A-5 22 1 
ATOM 4968 C CA . VAL A-5 1 22 . 82.705 -8.962 -2.537 1 13.76 ? CA VAL A-5 22 1 
ATOM 4969 C C . VAL A-5 1 22 . 82.016 -8.189 -3.624 1 13.13 ? C VAL A-5 22 1 
ATOM 4970 O O . VAL A-5 1 22 . 82.479 -7.133 -4.088 1 14.6 ? O VAL A-5 22 1 
ATOM 4971 C CB . VAL A-5 1 22 . 81.968 -8.628 -1.209 1 15.29 ? CB VAL A-5 22 1 
ATOM 4972 C CG1 . VAL A-5 1 22 . 82.558 -9.383 -0.034 1 17.78 ? CG1 VAL A-5 22 1 
ATOM 4973 C CG2 . VAL A-5 1 22 . 81.947 -7.121 -0.899 1 17.03 ? CG2 VAL A-5 22 1 
ATOM 4974 H H . VAL A-5 1 22 . 84.247 -7.762 -2.497 1 16.79 ? H VAL A-5 22 1 
ATOM 4975 H HA . VAL A-5 1 22 . 82.609 -9.911 -2.718 1 16.51 ? HA VAL A-5 22 1 
ATOM 4976 H HB . VAL A-5 1 22 . 81.046 -8.913 -1.297 1 18.35 ? HB VAL A-5 22 1 
ATOM 4977 H HG11 . VAL A-5 1 22 . 83.291 -9.935 -0.35 1 21.33 ? HG11 VAL A-5 22 1 
ATOM 4978 H HG12 . VAL A-5 1 22 . 82.883 -8.745 0.62 1 21.33 ? HG12 VAL A-5 22 1 
ATOM 4979 H HG13 . VAL A-5 1 22 . 81.87 -9.941 0.36 1 21.33 ? HG13 VAL A-5 22 1 
ATOM 4980 H HG21 . VAL A-5 1 22 . 82.409 -6.646 -1.607 1 20.44 ? HG21 VAL A-5 22 1 
ATOM 4981 H HG22 . VAL A-5 1 22 . 81.026 -6.823 -0.846 1 20.44 ? HG22 VAL A-5 22 1 
ATOM 4982 H HG23 . VAL A-5 1 22 . 82.393 -6.968 -0.051 1 20.44 ? HG23 VAL A-5 22 1 
ATOM 4983 N N . SER A-5 1 23 . 80.868 -8.736 -4.005 1 13.27 ? N SER A-5 23 1 
ATOM 4984 C CA . SER A-5 1 23 . 79.905 -8.037 -4.839 1 13.78 ? CA SER A-5 23 1 
ATOM 4985 C C . SER A-5 1 23 . 78.698 -7.718 -3.956 1 12.9 ? C SER A-5 23 1 
ATOM 4986 O O . SER A-5 1 23 . 78.182 -8.591 -3.271 1 14.64 ? O SER A-5 23 1 
ATOM 4987 C CB . SER A-5 1 23 . 79.493 -8.888 -6.025 1 15.99 ? CB SER A-5 23 1 
ATOM 4988 O OG . SER A-5 1 23 . 80.609 -9.146 -6.852 1 18.21 ? OG SER A-5 23 1 
ATOM 4989 H H . SER A-5 1 23 . 80.622 -9.531 -3.788 1 15.93 ? H SER A-5 23 1 
ATOM 4990 H HA . SER A-5 1 23 . 80.287 -7.207 -5.164 1 16.53 ? HA SER A-5 23 1 
ATOM 4991 H HB2 . SER A-5 1 23 . 79.135 -9.73 -5.702 1 19.18 ? HB2 SER A-5 23 1 
ATOM 4992 H HB3 . SER A-5 1 23 . 78.82 -8.414 -6.538 1 19.18 ? HB3 SER A-5 23 1 
ATOM 4993 H HG . SER A-5 1 23 . 80.378 -9.617 -7.507 1 21.85 ? HG SER A-5 23 1 
ATOM 4994 N N . ILE A-5 1 24 . 78.27 -6.476 -3.989 1 12.81 ? N ILE A-5 24 1 
ATOM 4995 C CA . ILE A-5 1 24 . 77.058 -6.029 -3.286 1 12.89 ? CA ILE A-5 24 1 
ATOM 4996 C C . ILE A-5 1 24 . 76.063 -5.651 -4.359 1 12.51 ? C ILE A-5 24 1 
ATOM 4997 O O . ILE A-5 1 24 . 76.271 -4.699 -5.111 1 14.21 ? O ILE A-5 24 1 
ATOM 4998 C CB . ILE A-5 1 24 . 77.358 -4.883 -2.335 1 12.76 ? CB ILE A-5 24 1 
ATOM 4999 C CG1 . ILE A-5 1 24 . 78.354 -5.31 -1.261 1 15.24 ? CG1 ILE A-5 24 1 
ATOM 5000 C CG2 . ILE A-5 1 24 . 76.061 -4.379 -1.71 1 14.36 ? CG2 ILE A-5 24 1 
ATOM 5001 C CD1 . ILE A-5 1 24 . 78.598 -4.307 -0.159 1 16.6 ? CD1 ILE A-5 24 1 
ATOM 5002 H H . ILE A-5 1 24 . 78.666 -5.846 -4.421 1 15.37 ? H ILE A-5 24 1 
ATOM 5003 H HA . ILE A-5 1 24 . 76.692 -6.765 -2.772 1 15.47 ? HA ILE A-5 24 1 
ATOM 5004 H HB . ILE A-5 1 24 . 77.753 -4.159 -2.846 1 15.31 ? HB ILE A-5 24 1 
ATOM 5005 H HG12 . ILE A-5 1 24 . 78.027 -6.124 -0.846 1 18.28 ? HG12 ILE A-5 24 1 
ATOM 5006 H HG13 . ILE A-5 1 24 . 79.208 -5.487 -1.687 1 18.28 ? HG13 ILE A-5 24 1 
ATOM 5007 H HG21 . ILE A-5 1 24 . 75.643 -5.106 -1.221 1 17.23 ? HG21 ILE A-5 24 1 
ATOM 5008 H HG22 . ILE A-5 1 24 . 76.266 -3.649 -1.105 1 17.23 ? HG22 ILE A-5 24 1 
ATOM 5009 H HG23 . ILE A-5 1 24 . 75.47 -4.07 -2.414 1 17.23 ? HG23 ILE A-5 24 1 
ATOM 5010 H HD11 . ILE A-5 1 24 . 77.76 -4.128 0.295 1 19.92 ? HD11 ILE A-5 24 1 
ATOM 5011 H HD12 . ILE A-5 1 24 . 79.242 -4.675 0.466 1 19.92 ? HD12 ILE A-5 24 1 
ATOM 5012 H HD13 . ILE A-5 1 24 . 78.945 -3.489 -0.549 1 19.92 ? HD13 ILE A-5 24 1 
ATOM 5013 N N . TYR A-5 1 25 . 74.976 -6.41 -4.432 1 12.6 ? N TYR A-5 25 1 
ATOM 5014 C CA . TYR A-5 1 25 . 73.923 -6.152 -5.394 1 12.9 ? CA TYR A-5 25 1 
ATOM 5015 C C . TYR A-5 1 25 . 72.861 -5.311 -4.744 1 12.27 ? C TYR A-5 25 1 
ATOM 5016 O O . TYR A-5 1 25 . 72.395 -5.64 -3.661 1 16.16 ? O TYR A-5 25 1 
ATOM 5017 C CB . TYR A-5 1 25 . 73.334 -7.463 -5.881 1 14.57 ? CB TYR A-5 25 1 
ATOM 5018 C CG . TYR A-5 1 25 . 74.338 -8.282 -6.644 1 16.38 ? CG TYR A-5 25 1 
ATOM 5019 C CD1 . TYR A-5 1 25 . 74.302 -8.294 -8.029 1 22.07 ? CD1 TYR A-5 25 1 
ATOM 5020 C CD2 . TYR A-5 1 25 . 75.211 -9.142 -6.026 1 15.8 ? CD2 TYR A-5 25 1 
ATOM 5021 C CE1 . TYR A-5 1 25 . 75.2 -9.055 -8.772 1 22.61 ? CE1 TYR A-5 25 1 
ATOM 5022 C CE2 . TYR A-5 1 25 . 76.163 -9.892 -6.759 1 18.33 ? CE2 TYR A-5 25 1 
ATOM 5023 C CZ . TYR A-5 1 25 . 76.153 -9.818 -8.112 1 20.73 ? CZ TYR A-5 25 1 
ATOM 5024 O OH . TYR A-5 1 25 . 77.049 -10.553 -8.869 1 24.78 ? OH TYR A-5 25 1 
ATOM 5025 H H . TYR A-5 1 25 . 74.826 -7.089 -3.926 1 15.12 ? H TYR A-5 25 1 
ATOM 5026 H HA . TYR A-5 1 25 . 74.282 -5.669 -6.154 1 15.49 ? HA TYR A-5 25 1 
ATOM 5027 H HB2 . TYR A-5 1 25 . 73.037 -7.982 -5.118 1 17.49 ? HB2 TYR A-5 25 1 
ATOM 5028 H HB3 . TYR A-5 1 25 . 72.586 -7.276 -6.47 1 17.49 ? HB3 TYR A-5 25 1 
ATOM 5029 H HD1 . TYR A-5 1 25 . 73.7 -7.741 -8.472 1 26.48 ? HD1 TYR A-5 25 1 
ATOM 5030 H HD2 . TYR A-5 1 25 . 75.255 -9.147 -5.097 1 18.97 ? HD2 TYR A-5 25 1 
ATOM 5031 H HE1 . TYR A-5 1 25 . 75.202 -9.002 -9.701 1 27.13 ? HE1 TYR A-5 25 1 
ATOM 5032 H HE2 . TYR A-5 1 25 . 76.783 -10.428 -6.319 1 21.99 ? HE2 TYR A-5 25 1 
ATOM 5033 H HH . TYR A-5 1 25 . 76.894 -10.439 -9.687 1 29.74 ? HH TYR A-5 25 1 
ATOM 5034 N N . LEU A-5 1 26 . 72.497 -4.219 -5.357 1 12.73 ? N LEU A-5 26 1 
ATOM 5035 C CA . LEU A-5 1 26 . 71.482 -3.317 -4.852 1 12.91 ? CA LEU A-5 26 1 
ATOM 5036 C C . LEU A-5 1 26 . 70.126 -3.676 -5.375 1 12.93 ? C LEU A-5 26 1 
ATOM 5037 O O . LEU A-5 1 26 . 69.96 -4.309 -6.435 1 14.71 ? O LEU A-5 26 1 
ATOM 5038 C CB . LEU A-5 1 26 . 71.828 -1.881 -5.205 1 13.45 ? CB LEU A-5 26 1 
ATOM 5039 C CG . LEU A-5 1 26 . 73.194 -1.39 -4.815 1 14.26 ? CG LEU A-5 26 1 
ATOM 5040 C CD1 . LEU A-5 1 26 . 73.357 0.077 -5.122 1 17.71 ? CD1 LEU A-5 26 1 
ATOM 5041 C CD2 . LEU A-5 1 26 . 73.457 -1.68 -3.286 1 16.44 ? CD2 LEU A-5 26 1 
ATOM 5042 H H . LEU A-5 1 26 . 72.835 -3.961 -6.104 1 15.27 ? H LEU A-5 26 1 
ATOM 5043 H HA . LEU A-5 1 26 . 71.455 -3.386 -3.885 1 15.49 ? HA LEU A-5 26 1 
ATOM 5044 H HB2 . LEU A-5 1 26 . 71.753 -1.781 -6.167 1 16.13 ? HB2 LEU A-5 26 1 
ATOM 5045 H HB3 . LEU A-5 1 26 . 71.182 -1.301 -4.773 1 16.13 ? HB3 LEU A-5 26 1 
ATOM 5046 H HG . LEU A-5 1 26 . 73.859 -1.876 -5.328 1 17.11 ? HG LEU A-5 26 1 
ATOM 5047 H HD11 . LEU A-5 1 26 . 72.692 0.578 -4.627 1 21.26 ? HD11 LEU A-5 26 1 
ATOM 5048 H HD12 . LEU A-5 1 26 . 74.247 0.358 -4.858 1 21.26 ? HD12 LEU A-5 26 1 
ATOM 5049 H HD13 . LEU A-5 1 26 . 73.235 0.215 -6.075 1 21.26 ? HD13 LEU A-5 26 1 
ATOM 5050 H HD21 . LEU A-5 1 26 . 72.787 -1.221 -2.758 1 19.73 ? HD21 LEU A-5 26 1 
ATOM 5051 H HD22 . LEU A-5 1 26 . 73.402 -2.637 -3.132 1 19.73 ? HD22 LEU A-5 26 1 
ATOM 5052 H HD23 . LEU A-5 1 26 . 74.342 -1.358 -3.052 1 19.73 ? HD23 LEU A-5 26 1 
ATOM 5053 N N . VAL A-5 1 27 . 69.112 -3.266 -4.645 1 13.67 ? N VAL A-5 27 1 
ATOM 5054 C CA . VAL A-5 1 27 . 67.734 -3.568 -5.023 1 14.61 ? CA VAL A-5 27 1 
ATOM 5055 C C . VAL A-5 1 27 . 67.396 -2.972 -6.412 1 15.34 ? C VAL A-5 27 1 
ATOM 5056 O O . VAL A-5 1 27 . 66.642 -3.522 -7.16 1 20.22 ? O VAL A-5 27 1 
ATOM 5057 C CB . VAL A-5 1 27 . 66.75 -3.117 -3.943 1 15.92 ? CB VAL A-5 27 1 
ATOM 5058 C CG1 . VAL A-5 1 27 . 66.959 -3.925 -2.67 1 17.55 ? CG1 VAL A-5 27 1 
ATOM 5059 C CG2 . VAL A-5 1 27 . 66.816 -1.615 -3.654 1 20.58 ? CG2 VAL A-5 27 1 
ATOM 5060 H H . VAL A-5 1 27 . 69.187 -2.81 -3.92 1 16.41 ? H VAL A-5 27 1 
ATOM 5061 H HA . VAL A-5 1 27 . 67.648 -4.531 -5.1 1 17.53 ? HA VAL A-5 27 1 
ATOM 5062 H HB . VAL A-5 1 27 . 65.853 -3.307 -4.257 1 19.11 ? HB VAL A-5 27 1 
ATOM 5063 H HG11 . VAL A-5 1 27 . 66.327 -3.625 -1.998 1 21.06 ? HG11 VAL A-5 27 1 
ATOM 5064 H HG12 . VAL A-5 1 27 . 66.814 -4.864 -2.865 1 21.06 ? HG12 VAL A-5 27 1 
ATOM 5065 H HG13 . VAL A-5 1 27 . 67.867 -3.789 -2.355 1 21.06 ? HG13 VAL A-5 27 1 
ATOM 5066 H HG21 . VAL A-5 1 27 . 66.171 -1.399 -2.963 1 24.7 ? HG21 VAL A-5 27 1 
ATOM 5067 H HG22 . VAL A-5 1 27 . 67.711 -1.392 -3.353 1 24.7 ? HG22 VAL A-5 27 1 
ATOM 5068 H HG23 . VAL A-5 1 27 . 66.609 -1.129 -4.467 1 24.7 ? HG23 VAL A-5 27 1 
ATOM 5069 N N . ASN A-5 1 28 . 68.043 -1.918 -6.799 1 14.21 ? N ASN A-5 28 1 
ATOM 5070 C CA . ASN A-5 1 28 . 67.785 -1.293 -8.115 1 15.41 ? CA ASN A-5 28 1 
ATOM 5071 C C . ASN A-5 1 28 . 68.59 -1.894 -9.263 1 16.03 ? C ASN A-5 28 1 
ATOM 5072 O O . ASN A-5 1 28 . 68.474 -1.396 -10.38 1 17.78 ? O ASN A-5 28 1 
ATOM 5073 C CB . ASN A-5 1 28 . 68.02 0.172 -8.047 1 16.33 ? CB ASN A-5 28 1 
ATOM 5074 C CG . ASN A-5 1 28 . 69.48 0.54 -7.78 1 16.79 ? CG ASN A-5 28 1 
ATOM 5075 O OD1 . ASN A-5 1 28 . 70.392 -0.295 -7.871 1 16.82 ? OD1 ASN A-5 28 1 
ATOM 5076 N ND2 . ASN A-5 1 28 . 69.716 1.822 -7.442 1 18.73 ? ND2 ASN A-5 28 1 
ATOM 5077 H H . ASN A-5 1 28 . 68.647 -1.521 -6.334 1 17.05 ? H ASN A-5 28 1 
ATOM 5078 H HA . ASN A-5 1 28 . 66.848 -1.422 -8.328 1 18.49 ? HA ASN A-5 28 1 
ATOM 5079 H HB2 . ASN A-5 1 28 . 67.761 0.571 -8.892 1 19.6 ? HB2 ASN A-5 28 1 
ATOM 5080 H HB3 . ASN A-5 1 28 . 67.482 0.543 -7.329 1 19.6 ? HB3 ASN A-5 28 1 
ATOM 5081 H HD21 . ASN A-5 1 28 . 70.52 2.084 -7.281 1 22.47 ? HD21 ASN A-5 28 1 
ATOM 5082 H HD22 . ASN A-5 1 28 . 69.064 2.38 -7.387 1 22.47 ? HD22 ASN A-5 28 1 
ATOM 5083 N N . GLY A-5 1 29 . 69.307 -2.97 -8.993 1 16.16 ? N GLY A-5 29 1 
ATOM 5084 C CA . GLY A-5 1 29 . 69.973 -3.721 -10.019 1 18.2 ? CA GLY A-5 29 1 
ATOM 5085 C C . GLY A-5 1 29 . 71.42 -3.396 -10.205 1 18.41 ? C GLY A-5 29 1 
ATOM 5086 O O . GLY A-5 1 29 . 72.076 -4.099 -10.933 1 22.58 ? O GLY A-5 29 1 
ATOM 5087 H H . GLY A-5 1 29 . 69.422 -3.286 -8.202 1 19.39 ? H GLY A-5 29 1 
ATOM 5088 H HA2 . GLY A-5 1 29 . 69.906 -4.666 -9.81 1 21.84 ? HA2 GLY A-5 29 1 
ATOM 5089 H HA3 . GLY A-5 1 29 . 69.522 -3.568 -10.863 1 21.84 ? HA3 GLY A-5 29 1 
ATOM 5090 N N . ILE A-5 1 30 . 71.928 -2.364 -9.545 1 16.66 ? N ILE A-5 30 1 
ATOM 5091 C CA . ILE A-5 1 30 . 73.337 -2.051 -9.634 1 16.63 ? CA ILE A-5 30 1 
ATOM 5092 C C . ILE A-5 1 30 . 74.147 -3.031 -8.863 1 15.78 ? C ILE A-5 30 1 
ATOM 5093 O O . ILE A-5 1 30 . 73.78 -3.442 -7.776 1 17.66 ? O ILE A-5 30 1 
ATOM 5094 C CB . ILE A-5 1 30 . 73.557 -0.655 -9.125 1 17.79 ? CB ILE A-5 30 1 
ATOM 5095 C CG1 . ILE A-5 1 30 . 72.857 0.348 -10.066 1 21.3 ? CG1 ILE A-5 30 1 
ATOM 5096 C CG2 . ILE A-5 1 30 . 75.027 -0.335 -8.916 1 21.12 ? CG2 ILE A-5 30 1 
ATOM 5097 C CD1 . ILE A-5 1 30 . 72.919 1.796 -9.633 1 24.57 ? CD1 ILE A-5 30 1 
ATOM 5098 H H . ILE A-5 1 30 . 71.477 -1.833 -9.041 1 19.99 ? H ILE A-5 30 1 
ATOM 5099 H HA . ILE A-5 1 30 . 73.617 -2.087 -10.562 1 19.96 ? HA ILE A-5 30 1 
ATOM 5100 H HB . ILE A-5 1 30 . 73.123 -0.592 -8.26 1 21.34 ? HB ILE A-5 30 1 
ATOM 5101 H HG12 . ILE A-5 1 30 . 73.269 0.287 -10.942 1 25.56 ? HG12 ILE A-5 30 1 
ATOM 5102 H HG13 . ILE A-5 1 30 . 71.92 0.104 -10.132 1 25.56 ? HG13 ILE A-5 30 1 
ATOM 5103 H HG21 . ILE A-5 1 30 . 75.493 -0.426 -9.762 1 25.34 ? HG21 ILE A-5 30 1 
ATOM 5104 H HG22 . ILE A-5 1 30 . 75.108 0.574 -8.588 1 25.34 ? HG22 ILE A-5 30 1 
ATOM 5105 H HG23 . ILE A-5 1 30 . 75.396 -0.955 -8.267 1 25.34 ? HG23 ILE A-5 30 1 
ATOM 5106 H HD11 . ILE A-5 1 30 . 72.495 1.884 -8.765 1 29.49 ? HD11 ILE A-5 30 1 
ATOM 5107 H HD12 . ILE A-5 1 30 . 73.848 2.068 -9.577 1 29.49 ? HD12 ILE A-5 30 1 
ATOM 5108 H HD13 . ILE A-5 1 30 . 72.453 2.341 -10.286 1 29.49 ? HD13 ILE A-5 30 1 
ATOM 5109 N N . LYS A-5 1 31 . 75.308 -3.349 -9.384 1 16.58 ? N LYS A-5 31 1 
ATOM 5110 C CA . LYS A-5 1 31 . 76.319 -4.163 -8.751 1 16.83 ? CA LYS A-5 31 1 
ATOM 5111 C C . LYS A-5 1 31 . 77.494 -3.336 -8.307 1 15.34 ? C LYS A-5 31 1 
ATOM 5112 O O . LYS A-5 1 31 . 78.13 -2.723 -9.165 1 19.53 ? O LYS A-5 31 1 
ATOM 5113 C CB . LYS A-5 1 31 . 76.699 -5.424 -9.59 1 21.62 ? CB LYS A-5 31 1 
ATOM 5114 C CG . LYS A-5 1 31 . 77.874 -6.195 -9.027 1 26.44 ? CG LYS A-5 31 1 
ATOM 5115 C CD . LYS A-5 1 31 . 78.298 -7.301 -9.988 1 31.53 ? CD LYS A-5 31 1 
ATOM 5116 C CE . LYS A-5 1 31 . 79.777 -7.458 -9.981 1 35.78 ? CE LYS A-5 31 1 
ATOM 5117 N NZ . LYS A-5 1 31 . 80.227 -8.515 -10.904 1 37.39 ? NZ LYS A-5 31 1 
ATOM 5118 H H . LYS A-5 1 31 . 75.549 -3.083 -10.165 1 19.89 ? H LYS A-5 31 1 
ATOM 5119 H HA . LYS A-5 1 31 . 76.745 -3.843 -9.562 1 20.2 ? HA LYS A-5 31 1 
ATOM 5120 H HB2 . LYS A-5 1 31 . 75.936 -6.023 -9.617 1 25.95 ? HB2 LYS A-5 31 1 
ATOM 5121 H HB3 . LYS A-5 1 31 . 76.93 -5.144 -10.489 1 25.95 ? HB3 LYS A-5 31 1 
ATOM 5122 H HG2 . LYS A-5 1 31 . 78.625 -5.594 -8.9 1 31.73 ? HG2 LYS A-5 31 1 
ATOM 5123 H HG3 . LYS A-5 1 31 . 77.619 -6.603 -8.184 1 31.73 ? HG3 LYS A-5 31 1 
ATOM 5124 H HD2 . LYS A-5 1 31 . 77.898 -8.14 -9.712 1 37.84 ? HD2 LYS A-5 31 1 
ATOM 5125 H HD3 . LYS A-5 1 31 . 78.018 -7.072 -10.888 1 37.84 ? HD3 LYS A-5 31 1 
ATOM 5126 H HE2 . LYS A-5 1 31 . 80.187 -6.623 -10.256 1 42.93 ? HE2 LYS A-5 31 1 
ATOM 5127 H HE3 . LYS A-5 1 31 . 80.068 -7.695 -9.086 1 42.93 ? HE3 LYS A-5 31 1 
ATOM 5128 H HZ1 . LYS A-5 1 31 . 81.114 -8.585 -10.878 1 44.87 ? HZ1 LYS A-5 31 1 
ATOM 5129 H HZ2 . LYS A-5 1 31 . 79.868 -9.295 -10.671 1 44.87 ? HZ2 LYS A-5 31 1 
ATOM 5130 H HZ3 . LYS A-5 1 31 . 79.976 -8.319 -11.736 1 44.87 ? HZ3 LYS A-5 31 1 
ATOM 5131 N N . LEU A-5 1 32 . 77.803 -3.325 -7.022 1 13.93 ? N LEU A-5 32 1 
ATOM 5132 C CA . LEU A-5 1 32 . 78.999 -2.711 -6.475 1 14.17 ? CA LEU A-5 32 1 
ATOM 5133 C C . LEU A-5 1 32 . 80.039 -3.801 -6.202 1 14.52 ? C LEU A-5 32 1 
ATOM 5134 O O . LEU A-5 1 32 . 79.67 -4.932 -5.896 1 16.03 ? O LEU A-5 32 1 
ATOM 5135 C CB . LEU A-5 1 32 . 78.694 -1.971 -5.174 1 14.68 ? CB LEU A-5 32 1 
ATOM 5136 C CG . LEU A-5 1 32 . 77.532 -0.994 -5.178 1 15.54 ? CG LEU A-5 32 1 
ATOM 5137 C CD1 . LEU A-5 1 32 . 77.299 -0.427 -3.801 1 16.74 ? CD1 LEU A-5 32 1 
ATOM 5138 C CD2 . LEU A-5 1 32 . 77.784 0.111 -6.162 1 18.43 ? CD2 LEU A-5 32 1 
ATOM 5139 H H . LEU A-5 1 32 . 77.309 -3.688 -6.418 1 16.72 ? H LEU A-5 32 1 
ATOM 5140 H HA . LEU A-5 1 32 . 79.366 -2.081 -7.114 1 17 ? HA LEU A-5 32 1 
ATOM 5141 H HB2 . LEU A-5 1 32 . 78.506 -2.633 -4.49 1 17.62 ? HB2 LEU A-5 32 1 
ATOM 5142 H HB3 . LEU A-5 1 32 . 79.486 -1.47 -4.922 1 17.62 ? HB3 LEU A-5 32 1 
ATOM 5143 H HG . LEU A-5 1 32 . 76.727 -1.461 -5.451 1 18.65 ? HG LEU A-5 32 1 
ATOM 5144 H HD11 . LEU A-5 1 32 . 76.553 0.192 -3.838 1 20.09 ? HD11 LEU A-5 32 1 
ATOM 5145 H HD12 . LEU A-5 1 32 . 77.097 -1.153 -3.191 1 20.09 ? HD12 LEU A-5 32 1 
ATOM 5146 H HD13 . LEU A-5 1 32 . 78.099 0.038 -3.512 1 20.09 ? HD13 LEU A-5 32 1 
ATOM 5147 H HD21 . LEU A-5 1 32 . 77.032 0.723 -6.149 1 22.11 ? HD21 LEU A-5 32 1 
ATOM 5148 H HD22 . LEU A-5 1 32 . 78.595 0.579 -5.91 1 22.11 ? HD22 LEU A-5 32 1 
ATOM 5149 H HD23 . LEU A-5 1 32 . 77.884 -0.272 -7.048 1 22.11 ? HD23 LEU A-5 32 1 
ATOM 5150 N N . GLN A-5 1 33 . 81.322 -3.484 -6.294 1 15.66 ? N GLN A-5 33 1 
ATOM 5151 C CA . GLN A-5 1 33 . 82.374 -4.444 -5.963 1 16.64 ? CA GLN A-5 33 1 
ATOM 5152 C C . GLN A-5 1 33 . 83.472 -3.764 -5.188 1 16.08 ? C GLN A-5 33 1 
ATOM 5153 O O . GLN A-5 1 33 . 83.801 -2.598 -5.449 1 19.17 ? O GLN A-5 33 1 
ATOM 5154 C CB . GLN A-5 1 33 . 82.957 -5.028 -7.241 1 20.75 ? CB GLN A-5 33 1 
ATOM 5155 C CG . GLN A-5 1 33 . 82.019 -5.916 -7.932 1 25.88 ? CG GLN A-5 33 1 
ATOM 5156 C CD . GLN A-5 1 33 . 82.662 -6.535 -9.133 1 33.78 ? CD GLN A-5 33 1 
ATOM 5157 O OE1 . GLN A-5 1 33 . 82.895 -5.858 -10.127 0.5 33.88 ? OE1 GLN A-5 33 1 
ATOM 5158 N NE2 . GLN A-5 1 33 . 82.986 -7.825 -9.045 1 38.98 ? NE2 GLN A-5 33 1 
ATOM 5159 H H . GLN A-5 1 33 . 81.615 -2.716 -6.548 1 18.79 ? H GLN A-5 33 1 
ATOM 5160 H HA . GLN A-5 1 33 . 82.008 -5.164 -5.426 1 19.96 ? HA GLN A-5 33 1 
ATOM 5161 H HB2 . GLN A-5 1 33 . 83.185 -4.304 -7.844 1 24.9 ? HB2 GLN A-5 33 1 
ATOM 5162 H HB3 . GLN A-5 1 33 . 83.751 -5.541 -7.021 1 24.9 ? HB3 GLN A-5 33 1 
ATOM 5163 H HG2 . GLN A-5 1 33 . 81.746 -6.627 -7.33 1 31.06 ? HG2 GLN A-5 33 1 
ATOM 5164 H HG3 . GLN A-5 1 33 . 81.248 -5.406 -8.225 1 31.06 ? HG3 GLN A-5 33 1 
ATOM 5165 H HE21 . GLN A-5 1 33 . 82.825 -8.261 -8.322 1 46.78 ? HE21 GLN A-5 33 1 
ATOM 5166 H HE22 . GLN A-5 1 33 . 83.358 -8.221 -9.712 1 46.78 ? HE22 GLN A-5 33 1 
ATOM 5167 N N . GLY A-5 1 34 . 83.998 -4.48 -4.221 1 14.64 ? N GLY A-5 34 1 
ATOM 5168 C CA . GLY A-5 1 34 . 85.1 -3.962 -3.45 1 16.49 ? CA GLY A-5 34 1 
ATOM 5169 C C . GLY A-5 1 34 . 85.326 -4.795 -2.207 1 14.51 ? C GLY A-5 34 1 
ATOM 5170 O O . GLY A-5 1 34 . 84.921 -5.938 -2.134 1 17.5 ? O GLY A-5 34 1 
ATOM 5171 H H . GLY A-5 1 34 . 83.738 -5.267 -3.991 1 17.57 ? H GLY A-5 34 1 
ATOM 5172 H HA2 . GLY A-5 1 34 . 85.909 -3.973 -3.985 1 19.78 ? HA2 GLY A-5 34 1 
ATOM 5173 H HA3 . GLY A-5 1 34 . 84.914 -3.047 -3.184 1 19.78 ? HA3 GLY A-5 34 1 
ATOM 5174 N N . GLN A-5 1 35 . 85.991 -4.239 -1.236 1 14.44 ? N GLN A-5 35 1 
ATOM 5175 C CA . GLN A-5 1 35 . 86.237 -4.9 0.042 1 14.41 ? CA GLN A-5 35 1 
ATOM 5176 C C . GLN A-5 1 35 . 85.491 -4.148 1.108 1 13.95 ? C GLN A-5 35 1 
ATOM 5177 O O . GLN A-5 1 35 . 85.403 -2.916 1.062 1 15.12 ? O GLN A-5 35 1 
ATOM 5178 C CB . GLN A-5 1 35 . 87.711 -4.98 0.362 1 15.96 ? CB GLN A-5 35 1 
ATOM 5179 C CG . GLN A-5 1 35 . 88.441 -5.947 -0.57 1 16.96 ? CG GLN A-5 35 1 
ATOM 5180 C CD . GLN A-5 1 35 . 89.931 -5.633 -0.595 1 19.36 ? CD GLN A-5 35 1 
ATOM 5181 O OE1 . GLN A-5 1 35 . 90.351 -4.501 -0.967 0.58 17.85 ? OE1 GLN A-5 35 1 
ATOM 5182 N NE2 . GLN A-5 1 35 . 90.757 -6.568 -0.178 1 21.28 ? NE2 GLN A-5 35 1 
ATOM 5183 H H . GLN A-5 1 35 . 86.327 -3.449 -1.281 1 17.32 ? H GLN A-5 35 1 
ATOM 5184 H HA . GLN A-5 1 35 . 85.887 -5.803 0.007 1 17.3 ? HA GLN A-5 35 1 
ATOM 5185 H HB2 . GLN A-5 1 35 . 88.108 -4.1 0.258 1 19.15 ? HB2 GLN A-5 35 1 
ATOM 5186 H HB3 . GLN A-5 1 35 . 87.824 -5.293 1.273 1 19.15 ? HB3 GLN A-5 35 1 
ATOM 5187 H HG2 . GLN A-5 1 35 . 88.324 -6.856 -0.251 1 20.35 ? HG2 GLN A-5 35 1 
ATOM 5188 H HG3 . GLN A-5 1 35 . 88.093 -5.855 -1.471 1 20.35 ? HG3 GLN A-5 35 1 
ATOM 5189 H HE21 . GLN A-5 1 35 . 91.605 -6.423 -0.179 1 25.53 ? HE21 GLN A-5 35 1 
ATOM 5190 H HE22 . GLN A-5 1 35 . 90.449 -7.323 0.095 1 25.53 ? HE22 GLN A-5 35 1 
ATOM 5191 N N . ILE A-5 1 36 . 84.946 -4.861 2.07 1 13.51 ? N ILE A-5 36 1 
ATOM 5192 C CA . ILE A-5 1 36 . 84.255 -4.244 3.191 1 13.64 ? CA ILE A-5 36 1 
ATOM 5193 C C . ILE A-5 1 36 . 85.269 -3.689 4.138 1 13.68 ? C ILE A-5 36 1 
ATOM 5194 O O . ILE A-5 1 36 . 86.02 -4.463 4.74 1 17 ? O ILE A-5 36 1 
ATOM 5195 C CB . ILE A-5 1 36 . 83.295 -5.188 3.855 1 14.86 ? CB ILE A-5 36 1 
ATOM 5196 C CG1 . ILE A-5 1 36 . 82.186 -5.562 2.841 1 16.12 ? CG1 ILE A-5 36 1 
ATOM 5197 C CG2 . ILE A-5 1 36 . 82.734 -4.602 5.107 1 15.07 ? CG2 ILE A-5 36 1 
ATOM 5198 C CD1 . ILE A-5 1 36 . 81.197 -6.579 3.327 1 19.44 ? CD1 ILE A-5 36 1 
ATOM 5199 H H . ILE A-5 1 36 . 84.961 -5.721 2.101 1 16.21 ? H ILE A-5 36 1 
ATOM 5200 H HA . ILE A-5 1 36 . 83.736 -3.497 2.855 1 16.37 ? HA ILE A-5 36 1 
ATOM 5201 H HB . ILE A-5 1 36 . 83.777 -5.997 4.089 1 17.83 ? HB ILE A-5 36 1 
ATOM 5202 H HG12 . ILE A-5 1 36 . 81.692 -4.759 2.615 1 19.34 ? HG12 ILE A-5 36 1 
ATOM 5203 H HG13 . ILE A-5 1 36 . 82.605 -5.921 2.043 1 19.34 ? HG13 ILE A-5 36 1 
ATOM 5204 H HG21 . ILE A-5 1 36 . 83.461 -4.414 5.721 1 18.08 ? HG21 ILE A-5 36 1 
ATOM 5205 H HG22 . ILE A-5 1 36 . 82.264 -3.783 4.889 1 18.08 ? HG22 ILE A-5 36 1 
ATOM 5206 H HG23 . ILE A-5 1 36 . 82.122 -5.239 5.507 1 18.08 ? HG23 ILE A-5 36 1 
ATOM 5207 H HD11 . ILE A-5 1 36 . 80.546 -6.746 2.627 1 23.33 ? HD11 ILE A-5 36 1 
ATOM 5208 H HD12 . ILE A-5 1 36 . 81.667 -7.398 3.544 1 23.33 ? HD12 ILE A-5 36 1 
ATOM 5209 H HD13 . ILE A-5 1 36 . 80.751 -6.234 4.117 1 23.33 ? HD13 ILE A-5 36 1 
ATOM 5210 N N . GLU A-5 1 37 . 85.28 -2.383 4.317 1 14 ? N GLU A-5 37 1 
ATOM 5211 C CA . GLU A-5 1 37 . 86.184 -1.747 5.242 1 16.02 ? CA GLU A-5 37 1 
ATOM 5212 C C . GLU A-5 1 37 . 85.633 -1.805 6.661 1 14.83 ? C GLU A-5 37 1 
ATOM 5213 O O . GLU A-5 1 37 . 86.382 -1.996 7.623 1 16.69 ? O GLU A-5 37 1 
ATOM 5214 C CB . GLU A-5 1 37 . 86.383 -0.266 4.864 1 22.02 ? CB GLU A-5 37 1 
ATOM 5215 C CG . GLU A-5 1 37 . 87.235 0.497 5.879 1 33.9 ? CG GLU A-5 37 1 
ATOM 5216 C CD . GLU A-5 1 37 . 87.426 1.971 5.558 1 50.18 ? CD GLU A-5 37 1 
ATOM 5217 O OE1 . GLU A-5 1 37 . 88.016 2.679 6.397 1 62.78 ? OE1 GLU A-5 37 1 
ATOM 5218 O OE2 . GLU A-5 1 37 . 86.985 2.428 4.488 0.61 48.69 ? OE2 GLU A-5 37 1 
ATOM 5219 H H . GLU A-5 1 37 . 84.76 -1.836 3.904 1 16.8 ? H GLU A-5 37 1 
ATOM 5220 H HA . GLU A-5 1 37 . 87.044 -2.194 5.222 1 19.23 ? HA GLU A-5 37 1 
ATOM 5221 H HB2 . GLU A-5 1 37 . 86.828 -0.218 4.003 1 26.43 ? HB2 GLU A-5 37 1 
ATOM 5222 H HB3 . GLU A-5 1 37 . 85.516 0.166 4.814 1 26.43 ? HB3 GLU A-5 37 1 
ATOM 5223 H HG2 . GLU A-5 1 37 . 86.808 0.439 6.748 1 40.68 ? HG2 GLU A-5 37 1 
ATOM 5224 H HG3 . GLU A-5 1 37 . 88.113 0.087 5.918 1 40.68 ? HG3 GLU A-5 37 1 
ATOM 5225 N N . SER A-5 1 38 . 84.328 -1.593 6.803 1 14.39 ? N SER A-5 38 1 
ATOM 5226 C CA . SER A-5 1 38 . 83.682 -1.504 8.075 1 14.93 ? CA SER A-5 38 1 
ATOM 5227 C C . SER A-5 1 38 . 82.167 -1.572 7.831 1 13.7 ? C SER A-5 38 1 
ATOM 5228 O O . SER A-5 1 38 . 81.706 -1.439 6.695 1 13.45 ? O SER A-5 38 1 
ATOM 5229 C CB . SER A-5 1 38 . 84.019 -0.233 8.835 1 18.64 ? CB SER A-5 38 1 
ATOM 5230 O OG . SER A-5 1 38 . 83.779 0.848 8.033 1 24.13 ? OG SER A-5 38 1 
ATOM 5231 H H . SER A-5 1 38 . 83.788 -1.496 6.141 1 17.27 ? H SER A-5 38 1 
ATOM 5232 H HA . SER A-5 1 38 . 83.94 -2.264 8.621 1 17.91 ? HA SER A-5 38 1 
ATOM 5233 H HB2 . SER A-5 1 38 . 83.461 -0.175 9.626 1 22.37 ? HB2 SER A-5 38 1 
ATOM 5234 H HB3 . SER A-5 1 38 . 84.956 -0.247 9.083 1 22.37 ? HB3 SER A-5 38 1 
ATOM 5235 H HG . SER A-5 1 38 . 83.962 1.557 8.445 1 28.96 ? HG SER A-5 38 1 
ATOM 5236 N N . PHE A-5 1 39 . 81.423 -1.757 8.916 1 13.66 ? N PHE A-5 39 1 
ATOM 5237 C CA . PHE A-5 1 39 . 79.967 -1.769 8.81 1 12.9 ? CA PHE A-5 39 1 
ATOM 5238 C C . PHE A-5 1 39 . 79.422 -1.463 10.192 1 13.34 ? C PHE A-5 39 1 
ATOM 5239 O O . PHE A-5 1 39 . 80.099 -1.618 11.194 1 15.13 ? O PHE A-5 39 1 
ATOM 5240 C CB . PHE A-5 1 39 . 79.444 -3.108 8.257 1 13.35 ? CB PHE A-5 39 1 
ATOM 5241 C CG . PHE A-5 1 39 . 79.737 -4.268 9.142 1 13.99 ? CG PHE A-5 39 1 
ATOM 5242 C CD1 . PHE A-5 1 39 . 80.977 -4.916 9.04 1 15.87 ? CD1 PHE A-5 39 1 
ATOM 5243 C CD2 . PHE A-5 1 39 . 78.804 -4.689 10.112 1 15.48 ? CD2 PHE A-5 39 1 
ATOM 5244 C CE1 . PHE A-5 1 39 . 81.259 -5.976 9.901 1 17.63 ? CE1 PHE A-5 39 1 
ATOM 5245 C CE2 . PHE A-5 1 39 . 79.075 -5.765 10.916 1 19.03 ? CE2 PHE A-5 39 1 
ATOM 5246 C CZ . PHE A-5 1 39 . 80.303 -6.402 10.82 1 19.28 ? CZ PHE A-5 39 1 
ATOM 5247 H H . PHE A-5 1 39 . 81.727 -1.876 9.711 1 16.39 ? H PHE A-5 39 1 
ATOM 5248 H HA . PHE A-5 1 39 . 79.685 -1.062 8.208 1 15.48 ? HA PHE A-5 39 1 
ATOM 5249 H HB2 . PHE A-5 1 39 . 78.483 -3.05 8.151 1 16.02 ? HB2 PHE A-5 39 1 
ATOM 5250 H HB3 . PHE A-5 1 39 . 79.862 -3.277 7.398 1 16.02 ? HB3 PHE A-5 39 1 
ATOM 5251 H HD1 . PHE A-5 1 39 . 81.608 -4.63 8.42 1 19.05 ? HD1 PHE A-5 39 1 
ATOM 5252 H HD2 . PHE A-5 1 39 . 77.978 -4.266 10.171 1 18.58 ? HD2 PHE A-5 39 1 
ATOM 5253 H HE1 . PHE A-5 1 39 . 82.07 -6.425 9.833 1 21.16 ? HE1 PHE A-5 39 1 
ATOM 5254 H HE2 . PHE A-5 1 39 . 78.454 -6.041 11.551 1 22.84 ? HE2 PHE A-5 39 1 
ATOM 5255 H HZ . PHE A-5 1 39 . 80.495 -7.117 11.382 1 23.14 ? HZ PHE A-5 39 1 
ATOM 5256 N N . ASP A-5 1 40 . 78.149 -1.065 10.23 1 12.6 ? N ASP A-5 40 1 
ATOM 5257 C CA . ASP A-5 1 40 . 77.455 -0.87 11.466 1 13.4 ? CA ASP A-5 40 1 
ATOM 5258 C C . ASP A-5 1 40 . 76.016 -1.342 11.294 1 12.51 ? C ASP A-5 40 1 
ATOM 5259 O O . ASP A-5 1 40 . 75.706 -2.107 10.395 1 13.17 ? O ASP A-5 40 1 
ATOM 5260 C CB . ASP A-5 1 40 . 77.59 0.567 11.988 1 13.97 ? CB ASP A-5 40 1 
ATOM 5261 C CG . ASP A-5 1 40 . 76.824 1.617 11.2 1 13.85 ? CG ASP A-5 40 1 
ATOM 5262 O OD1 . ASP A-5 1 40 . 76.035 1.251 10.323 1 14.8 ? OD1 ASP A-5 40 1 
ATOM 5263 O OD2 . ASP A-5 1 40 . 76.998 2.823 11.516 1 15.52 ? OD2 ASP A-5 40 1 
ATOM 5264 H H . ASP A-5 1 40 . 77.672 -0.904 9.533 1 15.12 ? H ASP A-5 40 1 
ATOM 5265 H HA . ASP A-5 1 40 . 77.862 -1.448 12.13 1 16.08 ? HA ASP A-5 40 1 
ATOM 5266 H HB2 . ASP A-5 1 40 . 77.265 0.593 12.902 1 16.77 ? HB2 ASP A-5 40 1 
ATOM 5267 H HB3 . ASP A-5 1 40 . 78.528 0.814 11.97 1 16.77 ? HB3 ASP A-5 40 1 
ATOM 5268 N N . GLN A-5 1 41 . 75.155 -0.922 12.209 1 13.44 ? N GLN A-5 41 1 
ATOM 5269 C CA . GLN A-5 1 41 . 73.79 -1.327 12.155 1 13.9 ? CA GLN A-5 41 1 
ATOM 5270 C C . GLN A-5 1 41 . 73.101 -1.1 10.786 1 12.56 ? C GLN A-5 41 1 
ATOM 5271 O O . GLN A-5 1 41 . 72.326 -1.948 10.328 1 13.49 ? O GLN A-5 41 1 
ATOM 5272 C CB . GLN A-5 1 41 . 73.043 -0.542 13.239 1 16.07 ? CB GLN A-5 41 1 
ATOM 5273 C CG . GLN A-5 1 41 . 71.615 -0.894 13.316 1 17.95 ? CG GLN A-5 41 1 
ATOM 5274 C CD . GLN A-5 1 41 . 70.998 -0.301 14.518 1 19.09 ? CD GLN A-5 41 1 
ATOM 5275 O OE1 . GLN A-5 1 41 . 71.282 0.857 14.916 1 20.15 ? OE1 GLN A-5 41 1 
ATOM 5276 N NE2 . GLN A-5 1 41 . 70.109 -1.059 15.119 1 20.8 ? NE2 GLN A-5 41 1 
ATOM 5277 H H . GLN A-5 1 41 . 75.349 -0.403 12.866 1 16.13 ? H GLN A-5 41 1 
ATOM 5278 H HA . GLN A-5 1 41 . 73.73 -2.271 12.37 1 16.68 ? HA GLN A-5 41 1 
ATOM 5279 H HB2 . GLN A-5 1 41 . 73.445 -0.731 14.101 1 19.28 ? HB2 GLN A-5 41 1 
ATOM 5280 H HB3 . GLN A-5 1 41 . 73.107 0.406 13.043 1 19.28 ? HB3 GLN A-5 41 1 
ATOM 5281 H HG2 . GLN A-5 1 41 . 71.155 -0.55 12.534 1 21.54 ? HG2 GLN A-5 41 1 
ATOM 5282 H HG3 . GLN A-5 1 41 . 71.523 -1.857 13.368 1 21.54 ? HG3 GLN A-5 41 1 
ATOM 5283 H HE21 . GLN A-5 1 41 . 69.71 -0.776 15.826 1 24.96 ? HE21 GLN A-5 41 1 
ATOM 5284 H HE22 . GLN A-5 1 41 . 69.926 -1.838 14.805 1 24.96 ? HE22 GLN A-5 41 1 
ATOM 5285 N N . PHE A-5 1 42 . 73.357 0.055 10.191 1 11.98 ? N PHE A-5 42 1 
ATOM 5286 C CA . PHE A-5 1 42 . 72.624 0.486 9.014 1 11.84 ? CA PHE A-5 42 1 
ATOM 5287 C C . PHE A-5 1 42 . 73.419 0.577 7.709 1 11.18 ? C PHE A-5 42 1 
ATOM 5288 O O . PHE A-5 1 42 . 72.796 0.684 6.661 1 11.21 ? O PHE A-5 42 1 
ATOM 5289 C CB . PHE A-5 1 42 . 71.936 1.806 9.276 1 12.28 ? CB PHE A-5 42 1 
ATOM 5290 C CG . PHE A-5 1 42 . 70.847 1.715 10.315 1 12.96 ? CG PHE A-5 42 1 
ATOM 5291 C CD1 . PHE A-5 1 42 . 69.749 0.881 10.128 1 15.43 ? CD1 PHE A-5 42 1 
ATOM 5292 C CD2 . PHE A-5 1 42 . 70.89 2.495 11.443 1 14.45 ? CD2 PHE A-5 42 1 
ATOM 5293 C CE1 . PHE A-5 1 42 . 68.734 0.836 11.067 1 16.69 ? CE1 PHE A-5 42 1 
ATOM 5294 C CE2 . PHE A-5 1 42 . 69.861 2.428 12.378 1 17.13 ? CE2 PHE A-5 42 1 
ATOM 5295 C CZ . PHE A-5 1 42 . 68.796 1.58 12.181 1 17.55 ? CZ PHE A-5 42 1 
ATOM 5296 H H . PHE A-5 1 42 . 73.957 0.614 10.453 1 14.38 ? H PHE A-5 42 1 
ATOM 5297 H HA . PHE A-5 1 42 . 71.921 -0.165 8.86 1 14.21 ? HA PHE A-5 42 1 
ATOM 5298 H HB2 . PHE A-5 1 42 . 72.595 2.446 9.589 1 14.74 ? HB2 PHE A-5 42 1 
ATOM 5299 H HB3 . PHE A-5 1 42 . 71.536 2.121 8.451 1 14.74 ? HB3 PHE A-5 42 1 
ATOM 5300 H HD1 . PHE A-5 1 42 . 69.694 0.354 9.363 1 18.52 ? HD1 PHE A-5 42 1 
ATOM 5301 H HD2 . PHE A-5 1 42 . 71.609 3.067 11.585 1 17.34 ? HD2 PHE A-5 42 1 
ATOM 5302 H HE1 . PHE A-5 1 42 . 68.014 0.262 10.938 1 20.03 ? HE1 PHE A-5 42 1 
ATOM 5303 H HE2 . PHE A-5 1 42 . 69.902 2.949 13.148 1 20.56 ? HE2 PHE A-5 42 1 
ATOM 5304 H HZ . PHE A-5 1 42 . 68.111 1.538 12.808 1 21.06 ? HZ PHE A-5 42 1 
ATOM 5305 N N . VAL A-5 1 43 . 74.747 0.61 7.759 1 11.02 ? N VAL A-5 43 1 
ATOM 5306 C CA . VAL A-5 1 43 . 75.536 0.865 6.571 1 11.27 ? CA VAL A-5 43 1 
ATOM 5307 C C . VAL A-5 1 43 . 76.712 -0.096 6.489 1 11.18 ? C VAL A-5 43 1 
ATOM 5308 O O . VAL A-5 1 43 . 77.166 -0.684 7.479 1 12.18 ? O VAL A-5 43 1 
ATOM 5309 C CB . VAL A-5 1 43 . 76.052 2.335 6.479 1 11.68 ? CB VAL A-5 43 1 
ATOM 5310 C CG1 . VAL A-5 1 43 . 74.903 3.324 6.579 1 12.51 ? CG1 VAL A-5 43 1 
ATOM 5311 C CG2 . VAL A-5 1 43 . 77.134 2.634 7.512 1 13.82 ? CG2 VAL A-5 43 1 
ATOM 5312 H H . VAL A-5 1 43 . 75.211 0.488 8.473 1 13.22 ? H VAL A-5 43 1 
ATOM 5313 H HA . VAL A-5 1 43 . 74.977 0.706 5.794 1 13.53 ? HA VAL A-5 43 1 
ATOM 5314 H HB . VAL A-5 1 43 . 76.454 2.456 5.605 1 14.02 ? HB VAL A-5 43 1 
ATOM 5315 H HG11 . VAL A-5 1 43 . 75.257 4.225 6.519 1 15.01 ? HG11 VAL A-5 43 1 
ATOM 5316 H HG12 . VAL A-5 1 43 . 74.283 3.162 5.851 1 15.01 ? HG12 VAL A-5 43 1 
ATOM 5317 H HG13 . VAL A-5 1 43 . 74.453 3.2 7.43 1 15.01 ? HG13 VAL A-5 43 1 
ATOM 5318 H HG21 . VAL A-5 1 43 . 77.297 1.835 8.038 1 16.59 ? HG21 VAL A-5 43 1 
ATOM 5319 H HG22 . VAL A-5 1 43 . 77.945 2.898 7.051 1 16.59 ? HG22 VAL A-5 43 1 
ATOM 5320 H HG23 . VAL A-5 1 43 . 76.83 3.353 8.088 1 16.59 ? HG23 VAL A-5 43 1 
ATOM 5321 N N . ILE A-5 1 44 . 77.216 -0.212 5.27 1 11.46 ? N ILE A-5 44 1 
ATOM 5322 C CA . ILE A-5 1 44 . 78.457 -0.934 4.962 1 11.67 ? CA ILE A-5 44 1 
ATOM 5323 C C . ILE A-5 1 44 . 79.334 0.089 4.223 1 12 ? C ILE A-5 44 1 
ATOM 5324 O O . ILE A-5 1 44 . 78.888 0.714 3.271 1 13.21 ? O ILE A-5 44 1 
ATOM 5325 C CB . ILE A-5 1 44 . 78.193 -2.174 4.095 1 12.35 ? CB ILE A-5 44 1 
ATOM 5326 C CG1 . ILE A-5 1 44 . 77.292 -3.173 4.877 1 13.04 ? CG1 ILE A-5 44 1 
ATOM 5327 C CG2 . ILE A-5 1 44 . 79.486 -2.801 3.664 1 14.26 ? CG2 ILE A-5 44 1 
ATOM 5328 C CD1 . ILE A-5 1 44 . 76.867 -4.371 4.065 1 13.83 ? CD1 ILE A-5 44 1 
ATOM 5329 H H . ILE A-5 1 44 . 76.845 0.131 4.573 1 13.75 ? H ILE A-5 44 1 
ATOM 5330 H HA . ILE A-5 1 44 . 78.9 -1.203 5.781 1 14.01 ? HA ILE A-5 44 1 
ATOM 5331 H HB . ILE A-5 1 44 . 77.712 -1.892 3.301 1 14.83 ? HB ILE A-5 44 1 
ATOM 5332 H HG12 . ILE A-5 1 44 . 77.781 -3.497 5.649 1 15.65 ? HG12 ILE A-5 44 1 
ATOM 5333 H HG13 . ILE A-5 1 44 . 76.49 -2.71 5.166 1 15.65 ? HG13 ILE A-5 44 1 
ATOM 5334 H HG21 . ILE A-5 1 44 . 79.994 -2.154 3.149 1 17.12 ? HG21 ILE A-5 44 1 
ATOM 5335 H HG22 . ILE A-5 1 44 . 79.987 -3.063 4.452 1 17.12 ? HG22 ILE A-5 44 1 
ATOM 5336 H HG23 . ILE A-5 1 44 . 79.293 -3.58 3.119 1 17.12 ? HG23 ILE A-5 44 1 
ATOM 5337 H HD11 . ILE A-5 1 44 . 76.365 -4.068 3.292 1 16.6 ? HD11 ILE A-5 44 1 
ATOM 5338 H HD12 . ILE A-5 1 44 . 77.658 -4.854 3.777 1 16.6 ? HD12 ILE A-5 44 1 
ATOM 5339 H HD13 . ILE A-5 1 44 . 76.311 -4.945 4.616 1 16.6 ? HD13 ILE A-5 44 1 
ATOM 5340 N N . LEU A-5 1 45 . 80.595 0.192 4.639 1 12.01 ? N LEU A-5 45 1 
ATOM 5341 C CA A LEU A-5 1 45 . 81.585 0.967 3.943 0.36 15.21 ? CA LEU A-5 45 1 
ATOM 5342 C CA B LEU A-5 1 45 . 81.575 0.999 3.972 0.64 12.39 ? CA LEU A-5 45 1 
ATOM 5343 C C . LEU A-5 1 45 . 82.361 0.107 3.003 1 12.4 ? C LEU A-5 45 1 
ATOM 5344 O O . LEU A-5 1 45 . 83.054 -0.826 3.467 1 13.99 ? O LEU A-5 45 1 
ATOM 5345 C CB A LEU A-5 1 45 . 82.447 1.884 4.793 0.36 18.76 ? CB LEU A-5 45 1 
ATOM 5346 C CB B LEU A-5 1 45 . 82.497 1.761 4.938 0.64 13.42 ? CB LEU A-5 45 1 
ATOM 5347 C CG A LEU A-5 1 45 . 81.957 3.292 5.105 0.36 22.53 ? CG LEU A-5 45 1 
ATOM 5348 C CG B LEU A-5 1 45 . 83.389 2.81 4.257 0.64 20.63 ? CG LEU A-5 45 1 
ATOM 5349 C CD1 A LEU A-5 1 45 . 80.64 3.26 5.791 0.36 23.31 ? CD1 LEU A-5 45 1 
ATOM 5350 C CD1 B LEU A-5 1 45 . 82.533 3.913 3.608 0.64 22.98 ? CD1 LEU A-5 45 1 
ATOM 5351 C CD2 A LEU A-5 1 45 . 83.025 4.005 5.92 0.36 24.44 ? CD2 LEU A-5 45 1 
ATOM 5352 C CD2 B LEU A-5 1 45 . 84.328 3.431 5.223 0.64 22.95 ? CD2 LEU A-5 45 1 
ATOM 5353 H H . LEU A-5 1 45 . 80.898 -0.207 5.338 1 14.41 ? H LEU A-5 45 1 
ATOM 5354 H HA . LEU A-5 1 45 . 82.088 0.379 4.521 0.36 14.86 ? HA LEU A-5 45 1 
ATOM 5355 H HB2 A LEU A-5 1 45 . 82.588 1.445 5.647 0.36 22.52 ? HB2 LEU A-5 45 1 
ATOM 5356 H HB2 B LEU A-5 1 45 . 81.948 2.221 5.594 0.64 16.11 ? HB2 LEU A-5 45 1 
ATOM 5357 H HB3 A LEU A-5 1 45 . 83.302 1.98 4.346 0.36 22.52 ? HB3 LEU A-5 45 1 
ATOM 5358 H HB3 B LEU A-5 1 45 . 83.076 1.124 5.384 0.64 16.11 ? HB3 LEU A-5 45 1 
ATOM 5359 H HG A LEU A-5 1 45 . 81.846 3.776 4.272 0.36 27.04 ? HG LEU A-5 45 1 
ATOM 5360 H HG B LEU A-5 1 45 . 83.91 2.381 3.561 0.64 24.76 ? HG LEU A-5 45 1 
ATOM 5361 H HD11 A LEU A-5 1 45 . 80.358 4.17 5.974 0.36 27.97 ? HD11 LEU A-5 45 1 
ATOM 5362 H HD11 B LEU A-5 1 45 . 81.951 3.51 2.944 0.64 27.58 ? HD11 LEU A-5 45 1 
ATOM 5363 H HD12 A LEU A-5 1 45 . 79.995 2.823 5.214 0.36 27.97 ? HD12 LEU A-5 45 1 
ATOM 5364 H HD12 B LEU A-5 1 45 . 82.002 4.345 4.295 0.64 27.58 ? HD12 LEU A-5 45 1 
ATOM 5365 H HD13 A LEU A-5 1 45 . 80.729 2.767 6.621 0.36 27.97 ? HD13 LEU A-5 45 1 
ATOM 5366 H HD13 B LEU A-5 1 45 . 83.119 4.559 3.186 0.64 27.58 ? HD13 LEU A-5 45 1 
ATOM 5367 H HD21 A LEU A-5 1 45 . 82.719 4.902 6.123 0.36 29.33 ? HD21 LEU A-5 45 1 
ATOM 5368 H HD21 B LEU A-5 1 45 . 83.817 3.864 5.925 0.64 27.54 ? HD21 LEU A-5 45 1 
ATOM 5369 H HD22 A LEU A-5 1 45 . 83.174 3.512 6.743 0.36 29.33 ? HD22 LEU A-5 45 1 
ATOM 5370 H HD22 B LEU A-5 1 45 . 84.893 2.739 5.603 0.64 27.54 ? HD22 LEU A-5 45 1 
ATOM 5371 H HD23 A LEU A-5 1 45 . 83.844 4.041 5.403 0.36 29.33 ? HD23 LEU A-5 45 1 
ATOM 5372 H HD23 B LEU A-5 1 45 . 84.872 4.084 4.758 0.64 27.54 ? HD23 LEU A-5 45 1 
ATOM 5373 N N . LEU A-5 1 46 . 82.28 0.353 1.717 1 12.8 ? N LEU A-5 46 1 
ATOM 5374 C CA . LEU A-5 1 46 . 82.852 -0.478 0.661 1 12.37 ? CA LEU A-5 46 1 
ATOM 5375 C C . LEU A-5 1 46 . 83.995 0.272 0.002 1 12.95 ? C LEU A-5 46 1 
ATOM 5376 O O . LEU A-5 1 46 . 83.805 1.347 -0.56 1 13.89 ? O LEU A-5 46 1 
ATOM 5377 C CB . LEU A-5 1 46 . 81.807 -0.811 -0.372 1 13.24 ? CB LEU A-5 46 1 
ATOM 5378 C CG . LEU A-5 1 46 . 82.202 -1.854 -1.412 1 14.45 ? CG LEU A-5 46 1 
ATOM 5379 C CD1 . LEU A-5 1 46 . 82.368 -3.236 -0.848 1 15.35 ? CD1 LEU A-5 46 1 
ATOM 5380 C CD2 . LEU A-5 1 46 . 81.231 -1.813 -2.557 1 16.85 ? CD2 LEU A-5 46 1 
ATOM 5381 H H . LEU A-5 1 46 . 81.871 1.041 1.403 1 15.36 ? H LEU A-5 46 1 
ATOM 5382 H HA . LEU A-5 1 46 . 83.194 -1.303 1.04 1 14.85 ? HA LEU A-5 46 1 
ATOM 5383 H HB2 . LEU A-5 1 46 . 81.02 -1.145 0.087 1 15.88 ? HB2 LEU A-5 46 1 
ATOM 5384 H HB3 . LEU A-5 1 46 . 81.579 0.002 -0.85 1 15.88 ? HB3 LEU A-5 46 1 
ATOM 5385 H HG . LEU A-5 1 46 . 83.066 -1.596 -1.771 1 17.34 ? HG LEU A-5 46 1 
ATOM 5386 H HD11 . LEU A-5 1 46 . 81.528 -3.519 -0.454 1 18.42 ? HD11 LEU A-5 46 1 
ATOM 5387 H HD12 . LEU A-5 1 46 . 82.618 -3.841 -1.564 1 18.42 ? HD12 LEU A-5 46 1 
ATOM 5388 H HD13 . LEU A-5 1 46 . 83.063 -3.219 -0.171 1 18.42 ? HD13 LEU A-5 46 1 
ATOM 5389 H HD21 . LEU A-5 1 46 . 81.49 -2.479 -3.213 1 20.22 ? HD21 LEU A-5 46 1 
ATOM 5390 H HD22 . LEU A-5 1 46 . 80.341 -2.006 -2.223 1 20.22 ? HD22 LEU A-5 46 1 
ATOM 5391 H HD23 . LEU A-5 1 46 . 81.251 -0.93 -2.956 1 20.22 ? HD23 LEU A-5 46 1 
ATOM 5392 N N . LYS A-5 1 47 . 85.201 -0.287 0.098 1 14.92 ? N LYS A-5 47 1 
ATOM 5393 C CA A LYS A-5 1 47 . 86.397 0.284 -0.519 0.55 17.41 ? CA LYS A-5 47 1 
ATOM 5394 C CA B LYS A-5 1 47 . 86.384 0.306 -0.506 0.45 16.29 ? CA LYS A-5 47 1 
ATOM 5395 C CA C LYS A-5 1 47 . 86.403 0.288 -0.515 0 19.61 ? CA LYS A-5 47 1 
ATOM 5396 C C . LYS A-5 1 47 . 86.47 -0.129 -1.94 1 19.58 ? C LYS A-5 47 1 
ATOM 5397 O O . LYS A-5 1 47 . 86.452 -1.323 -2.167 1 25.43 ? O LYS A-5 47 1 
ATOM 5398 C CB A LYS A-5 1 47 . 87.664 -0.345 0.052 0.55 22.32 ? CB LYS A-5 47 1 
ATOM 5399 C CB B LYS A-5 1 47 . 87.636 -0.122 0.237 0.45 20.36 ? CB LYS A-5 47 1 
ATOM 5400 C CB C LYS A-5 1 47 . 87.665 -0.307 0.104 0 25.98 ? CB LYS A-5 47 1 
ATOM 5401 C CG A LYS A-5 1 47 . 87.848 -0.282 1.509 0.55 24.44 ? CG LYS A-5 47 1 
ATOM 5402 C CG B LYS A-5 1 47 . 88.892 0.566 -0.261 0.45 22.72 ? CG LYS A-5 47 1 
ATOM 5403 C CG C LYS A-5 1 47 . 87.762 -0.201 1.587 0 32.88 ? CG LYS A-5 47 1 
ATOM 5404 C CD A LYS A-5 1 47 . 89.138 -1.075 1.881 0.55 27.38 ? CD LYS A-5 47 1 
ATOM 5405 C CD B LYS A-5 1 47 . 88.853 2.132 -0.332 0.45 25.17 ? CD LYS A-5 47 1 
ATOM 5406 C CD C LYS A-5 1 47 . 88.477 1.07 1.983 0 39.64 ? CD LYS A-5 47 1 
ATOM 5407 C CE A LYS A-5 1 47 . 89.577 -0.886 3.319 0.55 29.86 ? CE LYS A-5 47 1 
ATOM 5408 C CE B LYS A-5 1 47 . 90.288 2.714 -0.486 0.45 27.19 ? CE LYS A-5 47 1 
ATOM 5409 C CE C LYS A-5 1 47 . 89.881 0.8 2.497 0 44.1 ? CE LYS A-5 47 1 
ATOM 5410 N NZ A LYS A-5 1 47 . 90.094 0.501 3.552 0.55 32.96 ? NZ LYS A-5 47 1 
ATOM 5411 N NZ B LYS A-5 1 47 . 90.584 3.586 -1.727 0.45 23.93 ? NZ LYS A-5 47 1 
ATOM 5412 N NZ C LYS A-5 1 47 . 90.913 1.415 1.621 0 45.99 ? NZ LYS A-5 47 1 
ATOM 5413 H H . LYS A-5 1 47 . 85.351 -1.019 0.524 1 17.91 ? H LYS A-5 47 1 
ATOM 5414 H HA . LYS A-5 1 47 . 86.385 1.26 -0.454 0.55 23.54 ? HA LYS A-5 47 1 
ATOM 5415 H HB2 A LYS A-5 1 47 . 87.672 -1.283 -0.195 0.55 26.78 ? HB2 LYS A-5 47 1 
ATOM 5416 H HB2 B LYS A-5 1 47 . 87.531 0.092 1.177 0.45 24.44 ? HB2 LYS A-5 47 1 
ATOM 5417 H HB2 C LYS A-5 1 47 . 87.704 -1.25 -0.123 0 31.18 ? HB2 LYS A-5 47 1 
ATOM 5418 H HB3 A LYS A-5 1 47 . 88.428 0.098 -0.351 0.55 26.78 ? HB3 LYS A-5 47 1 
ATOM 5419 H HB3 B LYS A-5 1 47 . 87.755 -1.078 0.126 0.45 24.44 ? HB3 LYS A-5 47 1 
ATOM 5420 H HB3 C LYS A-5 1 47 . 88.435 0.148 -0.271 0 31.18 ? HB3 LYS A-5 47 1 
ATOM 5421 H HG2 A LYS A-5 1 47 . 87.956 0.641 1.787 0.55 29.32 ? HG2 LYS A-5 47 1 
ATOM 5422 H HG2 B LYS A-5 1 47 . 89.624 0.324 0.328 0.45 27.26 ? HG2 LYS A-5 47 1 
ATOM 5423 H HG2 C LYS A-5 1 47 . 86.871 -0.183 1.969 0 39.45 ? HG2 LYS A-5 47 1 
ATOM 5424 H HG3 A LYS A-5 1 47 . 87.089 -0.69 1.954 0.55 29.32 ? HG3 LYS A-5 47 1 
ATOM 5425 H HG3 B LYS A-5 1 47 . 89.081 0.242 -1.156 0.45 27.26 ? HG3 LYS A-5 47 1 
ATOM 5426 H HG3 C LYS A-5 1 47 . 88.264 -0.955 1.933 0 39.45 ? HG3 LYS A-5 47 1 
ATOM 5427 H HD2 A LYS A-5 1 47 . 88.974 -2.021 1.742 0.55 32.85 ? HD2 LYS A-5 47 1 
ATOM 5428 H HD2 B LYS A-5 1 47 . 88.327 2.407 -1.1 0.45 30.2 ? HD2 LYS A-5 47 1 
ATOM 5429 H HD2 C LYS A-5 1 47 . 88.546 1.651 1.209 0 47.56 ? HD2 LYS A-5 47 1 
ATOM 5430 H HD3 A LYS A-5 1 47 . 89.864 -0.779 1.309 0.55 32.85 ? HD3 LYS A-5 47 1 
ATOM 5431 H HD3 B LYS A-5 1 47 . 88.466 2.482 0.485 0.45 30.2 ? HD3 LYS A-5 47 1 
ATOM 5432 H HD3 C LYS A-5 1 47 . 87.977 1.511 2.688 0 47.56 ? HD3 LYS A-5 47 1 
ATOM 5433 H HE2 A LYS A-5 1 47 . 88.82 -1.033 3.908 0.55 35.84 ? HE2 LYS A-5 47 1 
ATOM 5434 H HE2 B LYS A-5 1 47 . 90.474 3.261 0.294 0.45 32.62 ? HE2 LYS A-5 47 1 
ATOM 5435 H HE2 C LYS A-5 1 47 . 89.974 1.176 3.386 0 52.92 ? HE2 LYS A-5 47 1 
ATOM 5436 H HE3 A LYS A-5 1 47 . 90.288 -1.515 3.523 0.55 35.84 ? HE3 LYS A-5 47 1 
ATOM 5437 H HE3 B LYS A-5 1 47 . 90.911 1.971 -0.508 0.45 32.62 ? HE3 LYS A-5 47 1 
ATOM 5438 H HE3 C LYS A-5 1 47 . 90.034 -0.158 2.519 0 52.92 ? HE3 LYS A-5 47 1 
ATOM 5439 H HZ1 A LYS A-5 1 47 . 90.792 0.658 3.024 0.55 39.56 ? HZ1 LYS A-5 47 1 
ATOM 5440 H HZ1 B LYS A-5 1 47 . 90.449 3.114 -2.469 0.45 28.72 ? HZ1 LYS A-5 47 1 
ATOM 5441 H HZ1 C LYS A-5 1 47 . 90.851 1.084 0.798 0 55.19 ? HZ1 LYS A-5 47 1 
ATOM 5442 H HZ2 A LYS A-5 1 47 . 89.457 1.098 3.374 0.55 39.56 ? HZ2 LYS A-5 47 1 
ATOM 5443 H HZ2 B LYS A-5 1 47 . 90.048 4.296 -1.734 0.45 28.72 ? HZ2 LYS A-5 47 1 
ATOM 5444 H HZ2 C LYS A-5 1 47 . 90.796 2.297 1.588 0 55.19 ? HZ2 LYS A-5 47 1 
ATOM 5445 H HZ3 A LYS A-5 1 47 . 90.346 0.594 4.401 0.55 39.56 ? HZ3 LYS A-5 47 1 
ATOM 5446 H HZ3 B LYS A-5 1 47 . 91.43 3.862 -1.71 0.45 28.72 ? HZ3 LYS A-5 47 1 
ATOM 5447 H HZ3 C LYS A-5 1 47 . 91.726 1.244 1.942 0 55.19 ? HZ3 LYS A-5 47 1 
ATOM 5448 N N . THR A-5 1 49 . 88.186 3.753 -5.684 0.76 23.97 ? N THR A-5 49 1 
ATOM 5449 C CA . THR A-5 1 49 . 89.041 4.917 -5.447 1 25.06 ? CA THR A-5 49 1 
ATOM 5450 C C . THR A-5 1 49 . 88.814 5.561 -4.042 0.87 22.97 ? C THR A-5 49 1 
ATOM 5451 O O . THR A-5 1 49 . 89.744 5.948 -3.374 1 25.23 ? O THR A-5 49 1 
ATOM 5452 C CB . THR A-5 1 49 . 88.854 5.956 -6.527 0.71 27.57 ? CB THR A-5 49 1 
ATOM 5453 O OG1 . THR A-5 1 49 . 89.225 5.387 -7.788 0.53 29.04 ? OG1 THR A-5 49 1 
ATOM 5454 C CG2 . THR A-5 1 49 . 89.729 7.182 -6.255 0.42 28.25 ? CG2 THR A-5 49 1 
ATOM 5455 H H . THR A-5 1 49 . 87.975 3.636 -6.51 0.76 28.76 ? H THR A-5 49 1 
ATOM 5456 H HA . THR A-5 1 49 . 89.966 4.627 -5.484 1 30.07 ? HA THR A-5 49 1 
ATOM 5457 H HB . THR A-5 1 49 . 87.925 6.236 -6.555 0.71 33.08 ? HB THR A-5 49 1 
ATOM 5458 H HG1 . THR A-5 1 49 . 88.743 4.72 -7.955 0.53 34.84 ? HG1 THR A-5 49 1 
ATOM 5459 H HG21 . THR A-5 1 49 . 90.664 6.923 -6.233 0.42 33.9 ? HG21 THR A-5 49 1 
ATOM 5460 H HG22 . THR A-5 1 49 . 89.49 7.576 -5.402 0.42 33.9 ? HG22 THR A-5 49 1 
ATOM 5461 H HG23 . THR A-5 1 49 . 89.601 7.842 -6.954 0.42 33.9 ? HG23 THR A-5 49 1 
ATOM 5462 N N . VAL A-5 1 50 . 87.598 5.628 -3.59 1 23.46 ? N VAL A-5 50 1 
ATOM 5463 C CA . VAL A-5 1 50 . 87.189 6.117 -2.25 1 20.02 ? CA VAL A-5 50 1 
ATOM 5464 C C . VAL A-5 1 50 . 86.362 4.988 -1.587 1 18.68 ? C VAL A-5 50 1 
ATOM 5465 O O . VAL A-5 1 50 . 86.044 3.977 -2.186 1 24.31 ? O VAL A-5 50 1 
ATOM 5466 C CB . VAL A-5 1 50 . 86.34 7.381 -2.346 1 20.17 ? CB VAL A-5 50 1 
ATOM 5467 C CG1 . VAL A-5 1 50 . 87.173 8.526 -2.905 1 20.75 ? CG1 VAL A-5 50 1 
ATOM 5468 C CG2 . VAL A-5 1 50 . 85.08 7.093 -3.149 1 20.98 ? CG2 VAL A-5 50 1 
ATOM 5469 H H . VAL A-5 1 50 . 86.921 5.382 -4.06 1 28.15 ? H VAL A-5 50 1 
ATOM 5470 H HA . VAL A-5 1 50 . 87.972 6.3 -1.708 1 24.03 ? HA VAL A-5 50 1 
ATOM 5471 H HB . VAL A-5 1 50 . 86.063 7.632 -1.451 1 24.2 ? HB VAL A-5 50 1 
ATOM 5472 H HG11 . VAL A-5 1 50 . 86.619 9.32 -2.959 1 24.91 ? HG11 VAL A-5 50 1 
ATOM 5473 H HG12 . VAL A-5 1 50 . 87.925 8.686 -2.314 1 24.91 ? HG12 VAL A-5 50 1 
ATOM 5474 H HG13 . VAL A-5 1 50 . 87.491 8.282 -3.788 1 24.91 ? HG13 VAL A-5 50 1 
ATOM 5475 H HG21 . VAL A-5 1 50 . 85.088 6.164 -3.428 1 25.18 ? HG21 VAL A-5 50 1 
ATOM 5476 H HG22 . VAL A-5 1 50 . 84.304 7.264 -2.591 1 25.18 ? HG22 VAL A-5 50 1 
ATOM 5477 H HG23 . VAL A-5 1 50 . 85.062 7.673 -3.926 1 25.18 ? HG23 VAL A-5 50 1 
ATOM 5478 N N . SER A-5 1 51 . 86.114 5.126 -0.339 1 19.83 ? N SER A-5 51 1 
ATOM 5479 C CA A SER A-5 1 51 . 85.118 4.284 0.255 0.77 19.22 ? CA SER A-5 51 1 
ATOM 5480 C CA B SER A-5 1 51 . 85.133 4.288 0.313 0.23 20.41 ? CA SER A-5 51 1 
ATOM 5481 C C . SER A-5 1 51 . 83.756 4.9 0.068 1 19.05 ? C SER A-5 51 1 
ATOM 5482 O O . SER A-5 1 51 . 83.594 6.129 0.211 1 23.01 ? O SER A-5 51 1 
ATOM 5483 C CB A SER A-5 1 51 . 85.461 4.101 1.723 0.77 22.66 ? CB SER A-5 51 1 
ATOM 5484 C CB B SER A-5 1 51 . 85.448 4.203 1.809 0.23 23.29 ? CB SER A-5 51 1 
ATOM 5485 O OG A SER A-5 1 51 . 86.671 3.411 1.779 0.77 26.4 ? OG SER A-5 51 1 
ATOM 5486 O OG B SER A-5 1 51 . 85.229 5.449 2.448 0.23 25.69 ? OG SER A-5 51 1 
ATOM 5487 H H A SER A-5 1 51 . 86.494 5.684 0.193 0.77 23.8 ? H SER A-5 51 1 
ATOM 5488 H H B SER A-5 1 51 . 86.494 5.697 0.178 0.23 23.8 ? H SER A-5 51 1 
ATOM 5489 H HA A SER A-5 1 51 . 85.126 3.415 -0.176 0.77 23.06 ? HA SER A-5 51 1 
ATOM 5490 H HA B SER A-5 1 51 . 85.155 3.395 -0.066 0.23 24.5 ? HA SER A-5 51 1 
ATOM 5491 H HB2 A SER A-5 1 51 . 85.558 4.967 2.147 0.77 27.19 ? HB2 SER A-5 51 1 
ATOM 5492 H HB2 B SER A-5 1 51 . 84.871 3.536 2.214 0.23 27.95 ? HB2 SER A-5 51 1 
ATOM 5493 H HB3 A SER A-5 1 51 . 84.767 3.58 2.159 0.77 27.19 ? HB3 SER A-5 51 1 
ATOM 5494 H HB3 B SER A-5 1 51 . 86.377 3.951 1.922 0.23 27.95 ? HB3 SER A-5 51 1 
ATOM 5495 H HG A SER A-5 1 51 . 86.594 2.664 1.402 0.77 31.68 ? HG SER A-5 51 1 
ATOM 5496 H HG B SER A-5 1 51 . 85.722 6.037 2.107 0.23 30.83 ? HG SER A-5 51 1 
ATOM 5497 N N . GLN A-5 1 52 . 82.795 4.056 -0.29 1 14.8 ? N GLN A-5 52 1 
ATOM 5498 C CA . GLN A-5 1 52 . 81.443 4.541 -0.378 1 15.85 ? CA GLN A-5 52 1 
ATOM 5499 C C . GLN A-5 1 52 . 80.596 3.924 0.687 1 13.15 ? C GLN A-5 52 1 
ATOM 5500 O O . GLN A-5 1 52 . 80.767 2.758 1.084 1 14.99 ? O GLN A-5 52 1 
ATOM 5501 C CB . GLN A-5 1 52 . 80.917 4.345 -1.726 1 17.84 ? CB GLN A-5 52 1 
ATOM 5502 C CG . GLN A-5 1 52 . 80.705 2.973 -2.006 1 16.84 ? CG GLN A-5 52 1 
ATOM 5503 C CD . GLN A-5 1 52 . 80.229 2.773 -3.45 1 19.29 ? CD GLN A-5 52 1 
ATOM 5504 O OE1 . GLN A-5 1 52 . 79.114 3.152 -3.813 1 20.61 ? OE1 GLN A-5 52 1 
ATOM 5505 N NE2 . GLN A-5 1 52 . 81.09 2.222 -4.288 1 22.31 ? NE2 GLN A-5 52 1 
ATOM 5506 H H . GLN A-5 1 52 . 82.903 3.225 -0.481 1 17.76 ? H GLN A-5 52 1 
ATOM 5507 H HA . GLN A-5 1 52 . 81.454 5.497 -0.214 1 19.02 ? HA GLN A-5 52 1 
ATOM 5508 H HB2 . GLN A-5 1 52 . 80.068 4.807 -1.809 1 21.4 ? HB2 GLN A-5 52 1 
ATOM 5509 H HB3 . GLN A-5 1 52 . 81.553 4.691 -2.371 1 21.4 ? HB3 GLN A-5 52 1 
ATOM 5510 H HG2 . GLN A-5 1 52 . 81.536 2.489 -1.888 1 20.21 ? HG2 GLN A-5 52 1 
ATOM 5511 H HG3 . GLN A-5 1 52 . 80.024 2.624 -1.409 1 20.21 ? HG3 GLN A-5 52 1 
ATOM 5512 H HE21 . GLN A-5 1 52 . 80.868 2.09 -5.109 1 26.77 ? HE21 GLN A-5 52 1 
ATOM 5513 H HE22 . GLN A-5 1 52 . 81.873 1.996 -4.014 1 26.77 ? HE22 GLN A-5 52 1 
ATOM 5514 N N . MET A-5 1 53 . 79.686 4.722 1.195 1 11.91 ? N MET A-5 53 1 
ATOM 5515 C CA . MET A-5 1 53 . 78.8 4.291 2.252 1 11.19 ? CA MET A-5 53 1 
ATOM 5516 C C . MET A-5 1 53 . 77.523 3.774 1.66 1 11.15 ? C MET A-5 53 1 
ATOM 5517 O O . MET A-5 1 53 . 76.779 4.562 1.063 1 13.98 ? O MET A-5 53 1 
ATOM 5518 C CB . MET A-5 1 53 . 78.525 5.433 3.244 1 12.67 ? CB MET A-5 53 1 
ATOM 5519 C CG . MET A-5 1 53 . 77.782 5.003 4.472 1 14.19 ? CG MET A-5 53 1 
ATOM 5520 S SD . MET A-5 1 53 . 77.344 6.3 5.582 1 14.63 ? SD MET A-5 53 1 
ATOM 5521 C CE . MET A-5 1 53 . 75.952 6.958 4.67 1 18.18 ? CE MET A-5 53 1 
ATOM 5522 H H . MET A-5 1 53 . 79.558 5.533 0.941 1 14.29 ? H MET A-5 53 1 
ATOM 5523 H HA . MET A-5 1 53 . 79.229 3.573 2.743 1 13.43 ? HA MET A-5 53 1 
ATOM 5524 H HB2 . MET A-5 1 53 . 79.371 5.813 3.527 1 15.2 ? HB2 MET A-5 53 1 
ATOM 5525 H HB3 . MET A-5 1 53 . 77.992 6.111 2.798 1 15.2 ? HB3 MET A-5 53 1 
ATOM 5526 H HG2 . MET A-5 1 53 . 76.961 4.565 4.198 1 17.02 ? HG2 MET A-5 53 1 
ATOM 5527 H HG3 . MET A-5 1 53 . 78.336 4.376 4.962 1 17.02 ? HG3 MET A-5 53 1 
ATOM 5528 H HE1 . MET A-5 1 53 . 76.257 7.252 3.797 1 21.81 ? HE1 MET A-5 53 1 
ATOM 5529 H HE2 . MET A-5 1 53 . 75.283 6.263 4.57 1 21.81 ? HE2 MET A-5 53 1 
ATOM 5530 H HE3 . MET A-5 1 53 . 75.579 7.707 5.161 1 21.81 ? HE3 MET A-5 53 1 
ATOM 5531 N N . VAL A-5 1 54 . 77.248 2.501 1.827 1 10.52 ? N VAL A-5 54 1 
ATOM 5532 C CA . VAL A-5 1 54 . 76.102 1.83 1.242 1 10.41 ? CA VAL A-5 54 1 
ATOM 5533 C C . VAL A-5 1 54 . 75.065 1.606 2.349 1 9.87 ? C VAL A-5 54 1 
ATOM 5534 O O . VAL A-5 1 54 . 75.371 0.952 3.357 1 10.81 ? O VAL A-5 54 1 
ATOM 5535 C CB . VAL A-5 1 54 . 76.49 0.495 0.615 1 11.32 ? CB VAL A-5 54 1 
ATOM 5536 C CG1 . VAL A-5 1 54 . 75.31 -0.08 -0.154 1 11.79 ? CG1 VAL A-5 54 1 
ATOM 5537 C CG2 . VAL A-5 1 54 . 77.73 0.628 -0.282 1 12.8 ? CG2 VAL A-5 54 1 
ATOM 5538 H H . VAL A-5 1 54 . 77.735 1.974 2.3 1 12.63 ? H VAL A-5 54 1 
ATOM 5539 H HA . VAL A-5 1 54 . 75.708 2.392 0.557 1 12.49 ? HA VAL A-5 54 1 
ATOM 5540 H HB . VAL A-5 1 54 . 76.708 -0.128 1.326 1 13.59 ? HB VAL A-5 54 1 
ATOM 5541 H HG11 . VAL A-5 1 54 . 75.573 -0.928 -0.546 1 14.15 ? HG11 VAL A-5 54 1 
ATOM 5542 H HG12 . VAL A-5 1 54 . 74.57 -0.213 0.458 1 14.15 ? HG12 VAL A-5 54 1 
ATOM 5543 H HG13 . VAL A-5 1 54 . 75.056 0.544 -0.852 1 14.15 ? HG13 VAL A-5 54 1 
ATOM 5544 H HG21 . VAL A-5 1 54 . 78.028 1.551 -0.274 1 15.36 ? HG21 VAL A-5 54 1 
ATOM 5545 H HG22 . VAL A-5 1 54 . 78.431 0.051 0.06 1 15.36 ? HG22 VAL A-5 54 1 
ATOM 5546 H HG23 . VAL A-5 1 54 . 77.496 0.364 -1.186 1 15.36 ? HG23 VAL A-5 54 1 
ATOM 5547 N N . TYR A-5 1 55 . 73.855 2.092 2.168 1 9.77 ? N TYR A-5 55 1 
ATOM 5548 C CA . TYR A-5 1 55 . 72.804 1.794 3.12 1 9.91 ? CA TYR A-5 55 1 
ATOM 5549 C C . TYR A-5 1 55 . 72.317 0.365 2.94 1 9.35 ? C TYR A-5 55 1 
ATOM 5550 O O . TYR A-5 1 55 . 71.96 -0.052 1.839 1 10.14 ? O TYR A-5 55 1 
ATOM 5551 C CB . TYR A-5 1 55 . 71.617 2.771 2.988 1 10.52 ? CB TYR A-5 55 1 
ATOM 5552 C CG . TYR A-5 1 55 . 71.897 4.101 3.63 1 10.51 ? CG TYR A-5 55 1 
ATOM 5553 C CD1 . TYR A-5 1 55 . 71.716 4.244 4.997 1 11.17 ? CD1 TYR A-5 55 1 
ATOM 5554 C CD2 . TYR A-5 1 55 . 72.327 5.178 2.932 1 11.78 ? CD2 TYR A-5 55 1 
ATOM 5555 C CE1 . TYR A-5 1 55 . 72.008 5.443 5.642 1 11.38 ? CE1 TYR A-5 55 1 
ATOM 5556 C CE2 . TYR A-5 1 55 . 72.599 6.389 3.55 1 13.21 ? CE2 TYR A-5 55 1 
ATOM 5557 C CZ . TYR A-5 1 55 . 72.454 6.515 4.921 1 11.74 ? CZ TYR A-5 55 1 
ATOM 5558 O OH . TYR A-5 1 55 . 72.79 7.712 5.496 1 12.99 ? OH TYR A-5 55 1 
ATOM 5559 H H . TYR A-5 1 55 . 73.615 2.591 1.511 1 11.72 ? H TYR A-5 55 1 
ATOM 5560 H HA . TYR A-5 1 55 . 73.16 1.877 4.018 1 11.89 ? HA TYR A-5 55 1 
ATOM 5561 H HB2 . TYR A-5 1 55 . 71.435 2.923 2.047 1 12.62 ? HB2 TYR A-5 55 1 
ATOM 5562 H HB3 . TYR A-5 1 55 . 70.839 2.385 3.42 1 12.62 ? HB3 TYR A-5 55 1 
ATOM 5563 H HD1 . TYR A-5 1 55 . 71.435 3.512 5.499 1 13.41 ? HD1 TYR A-5 55 1 
ATOM 5564 H HD2 . TYR A-5 1 55 . 72.451 5.102 2.013 1 14.14 ? HD2 TYR A-5 55 1 
ATOM 5565 H HE1 . TYR A-5 1 55 . 71.901 5.514 6.564 1 13.66 ? HE1 TYR A-5 55 1 
ATOM 5566 H HE2 . TYR A-5 1 55 . 72.919 7.104 3.049 1 15.85 ? HE2 TYR A-5 55 1 
ATOM 5567 H HH . TYR A-5 1 55 . 73.043 8.253 4.905 1 15.59 ? HH TYR A-5 55 1 
ATOM 5568 N N . LYS A-5 1 56 . 72.246 -0.381 4.034 1 9.85 ? N LYS A-5 56 1 
ATOM 5569 C CA . LYS A-5 1 56 . 71.744 -1.761 3.951 1 10.21 ? CA LYS A-5 56 1 
ATOM 5570 C C . LYS A-5 1 56 . 70.372 -1.848 3.355 1 10.14 ? C LYS A-5 56 1 
ATOM 5571 O O . LYS A-5 1 56 . 70.08 -2.799 2.648 1 10.4 ? O LYS A-5 56 1 
ATOM 5572 C CB . LYS A-5 1 56 . 71.76 -2.403 5.323 1 10.61 ? CB LYS A-5 56 1 
ATOM 5573 C CG . LYS A-5 1 56 . 73.126 -2.681 5.892 1 10.86 ? CG LYS A-5 56 1 
ATOM 5574 C CD . LYS A-5 1 56 . 72.977 -3.289 7.287 1 12.11 ? CD LYS A-5 56 1 
ATOM 5575 C CE . LYS A-5 1 56 . 74.266 -3.532 7.969 1 12.75 ? CE LYS A-5 56 1 
ATOM 5576 N NZ . LYS A-5 1 56 . 74.004 -4.131 9.306 1 13.6 ? NZ LYS A-5 56 1 
ATOM 5577 H H . LYS A-5 1 56 . 72.477 -0.126 4.823 1 11.83 ? H LYS A-5 56 1 
ATOM 5578 H HA . LYS A-5 1 56 . 72.342 -2.272 3.382 1 12.26 ? HA LYS A-5 56 1 
ATOM 5579 H HB2 . LYS A-5 1 56 . 71.302 -1.814 5.943 1 12.73 ? HB2 LYS A-5 56 1 
ATOM 5580 H HB3 . LYS A-5 1 56 . 71.288 -3.249 5.272 1 12.73 ? HB3 LYS A-5 56 1 
ATOM 5581 H HG2 . LYS A-5 1 56 . 73.592 -3.316 5.325 1 13.03 ? HG2 LYS A-5 56 1 
ATOM 5582 H HG3 . LYS A-5 1 56 . 73.625 -1.854 5.965 1 13.03 ? HG3 LYS A-5 56 1 
ATOM 5583 H HD2 . LYS A-5 1 56 . 72.459 -2.683 7.839 1 14.53 ? HD2 LYS A-5 56 1 
ATOM 5584 H HD3 . LYS A-5 1 56 . 72.517 -4.139 7.211 1 14.53 ? HD3 LYS A-5 56 1 
ATOM 5585 H HE2 . LYS A-5 1 56 . 74.8 -4.152 7.449 1 15.3 ? HE2 LYS A-5 56 1 
ATOM 5586 H HE3 . LYS A-5 1 56 . 74.735 -2.692 8.091 1 15.3 ? HE3 LYS A-5 56 1 
ATOM 5587 H HZ1 . LYS A-5 1 56 . 74.773 -4.283 9.727 1 16.32 ? HZ1 LYS A-5 56 1 
ATOM 5588 H HZ2 . LYS A-5 1 56 . 73.51 -3.577 9.796 1 16.32 ? HZ2 LYS A-5 56 1 
ATOM 5589 H HZ3 . LYS A-5 1 56 . 73.568 -4.903 9.213 1 16.32 ? HZ3 LYS A-5 56 1 
ATOM 5590 N N . HIS A-5 1 57 . 69.493 -0.864 3.62 1 10.56 ? N HIS A-5 57 1 
ATOM 5591 C CA . HIS A-5 1 57 . 68.148 -0.914 3.082 1 10.98 ? CA HIS A-5 57 1 
ATOM 5592 C C . HIS A-5 1 57 . 68.149 -0.968 1.543 1 11.29 ? C HIS A-5 57 1 
ATOM 5593 O O . HIS A-5 1 57 . 67.125 -1.361 0.953 1 12.96 ? O HIS A-5 57 1 
ATOM 5594 C CB . HIS A-5 1 57 . 67.267 0.248 3.588 1 11.81 ? CB HIS A-5 57 1 
ATOM 5595 C CG . HIS A-5 1 57 . 67.778 1.619 3.264 1 11.05 ? CG HIS A-5 57 1 
ATOM 5596 N ND1 . HIS A-5 1 57 . 68.086 2.516 4.266 1 11.67 ? ND1 HIS A-5 57 1 
ATOM 5597 C CD2 . HIS A-5 1 57 . 68.01 2.229 2.083 1 11.25 ? CD2 HIS A-5 57 1 
ATOM 5598 C CE1 . HIS A-5 1 57 . 68.477 3.62 3.675 1 11.27 ? CE1 HIS A-5 57 1 
ATOM 5599 N NE2 . HIS A-5 1 57 . 68.42 3.485 2.368 1 10.91 ? NE2 HIS A-5 57 1 
ATOM 5600 H H . HIS A-5 1 57 . 69.661 -0.173 4.103 1 12.67 ? H HIS A-5 57 1 
ATOM 5601 H HA . HIS A-5 1 57 . 67.734 -1.735 3.392 1 13.18 ? HA HIS A-5 57 1 
ATOM 5602 H HB2 . HIS A-5 1 57 . 66.386 0.163 3.191 1 14.17 ? HB2 HIS A-5 57 1 
ATOM 5603 H HB3 . HIS A-5 1 57 . 67.196 0.183 4.553 1 14.17 ? HB3 HIS A-5 57 1 
ATOM 5604 H HD2 . HIS A-5 1 57 . 67.875 1.868 1.237 1 13.5 ? HD2 HIS A-5 57 1 
ATOM 5605 H HE1 . HIS A-5 1 57 . 68.745 4.393 4.118 1 13.52 ? HE1 HIS A-5 57 1 
ATOM 5606 H HE2 . HIS A-5 1 57 . 68.65 4.08 1.792 1 13.1 ? HE2 HIS A-5 57 1 
ATOM 5607 N N . ALA A-5 1 58 . 69.227 -0.539 0.905 1 10.26 ? N ALA A-5 58 1 
ATOM 5608 C CA . ALA A-5 1 58 . 69.353 -0.536 -0.543 1 11.36 ? CA ALA A-5 58 1 
ATOM 5609 C C . ALA A-5 1 58 . 69.982 -1.828 -1.09 1 10.37 ? C ALA A-5 58 1 
ATOM 5610 O O . ALA A-5 1 58 . 70.082 -1.962 -2.287 1 12.76 ? O ALA A-5 58 1 
ATOM 5611 C CB . ALA A-5 1 58 . 70.154 0.645 -1.013 1 12.21 ? CB ALA A-5 58 1 
ATOM 5612 H H . ALA A-5 1 58 . 69.924 -0.234 1.305 1 12.31 ? H ALA A-5 58 1 
ATOM 5613 H HA . ALA A-5 1 58 . 68.467 -0.458 -0.929 1 13.63 ? HA ALA A-5 58 1 
ATOM 5614 H HB1 . ALA A-5 1 58 . 71.04 0.601 -0.619 1 14.65 ? HB1 ALA A-5 58 1 
ATOM 5615 H HB2 . ALA A-5 1 58 . 70.22 0.617 -1.98 1 14.65 ? HB2 ALA A-5 58 1 
ATOM 5616 H HB3 . ALA A-5 1 58 . 69.709 1.459 -0.734 1 14.65 ? HB3 ALA A-5 58 1 
ATOM 5617 N N . ILE A-5 1 59 . 70.457 -2.704 -0.209 1 10.15 ? N ILE A-5 59 1 
ATOM 5618 C CA . ILE A-5 1 59 . 71.168 -3.904 -0.608 1 10.05 ? CA ILE A-5 59 1 
ATOM 5619 C C . ILE A-5 1 59 . 70.179 -5.068 -0.736 1 9.78 ? C ILE A-5 59 1 
ATOM 5620 O O . ILE A-5 1 59 . 69.358 -5.292 0.139 1 10.92 ? O ILE A-5 59 1 
ATOM 5621 C CB . ILE A-5 1 59 . 72.271 -4.266 0.394 1 10.43 ? CB ILE A-5 59 1 
ATOM 5622 C CG1 . ILE A-5 1 59 . 73.279 -3.14 0.505 1 10.78 ? CG1 ILE A-5 59 1 
ATOM 5623 C CG2 . ILE A-5 1 59 . 72.925 -5.581 0.019 1 11.19 ? CG2 ILE A-5 59 1 
ATOM 5624 C CD1 . ILE A-5 1 59 . 74.359 -3.347 1.544 1 11.69 ? CD1 ILE A-5 59 1 
ATOM 5625 H H . ILE A-5 1 59 . 70.376 -2.62 0.643 1 12.18 ? H ILE A-5 59 1 
ATOM 5626 H HA . ILE A-5 1 59 . 71.58 -3.757 -1.474 1 12.06 ? HA ILE A-5 59 1 
ATOM 5627 H HB . ILE A-5 1 59 . 71.856 -4.379 1.263 1 12.52 ? HB ILE A-5 59 1 
ATOM 5628 H HG12 . ILE A-5 1 59 . 73.717 -3.032 -0.354 1 12.93 ? HG12 ILE A-5 59 1 
ATOM 5629 H HG13 . ILE A-5 1 59 . 72.806 -2.324 0.734 1 12.93 ? HG13 ILE A-5 59 1 
ATOM 5630 H HG21 . ILE A-5 1 59 . 72.252 -6.28 0.021 1 13.43 ? HG21 ILE A-5 59 1 
ATOM 5631 H HG22 . ILE A-5 1 59 . 73.314 -5.5 -0.866 1 13.43 ? HG22 ILE A-5 59 1 
ATOM 5632 H HG23 . ILE A-5 1 59 . 73.617 -5.786 0.668 1 13.43 ? HG23 ILE A-5 59 1 
ATOM 5633 H HD11 . ILE A-5 1 59 . 74.857 -4.149 1.325 1 14.03 ? HD11 ILE A-5 59 1 
ATOM 5634 H HD12 . ILE A-5 1 59 . 74.951 -2.578 1.539 1 14.03 ? HD12 ILE A-5 59 1 
ATOM 5635 H HD13 . ILE A-5 1 59 . 73.945 -3.441 2.415 1 14.03 ? HD13 ILE A-5 59 1 
ATOM 5636 N N . SER A-5 1 60 . 70.318 -5.839 -1.818 1 10.41 ? N SER A-5 60 1 
ATOM 5637 C CA A SER A-5 1 60 . 69.612 -7.102 -1.902 0.61 10.91 ? CA SER A-5 60 1 
ATOM 5638 C CA B SER A-5 1 60 . 69.662 -7.133 -1.993 0.39 11.11 ? CA SER A-5 60 1 
ATOM 5639 C C . SER A-5 1 60 . 70.488 -8.268 -1.406 1 10.65 ? C SER A-5 60 1 
ATOM 5640 O O . SER A-5 1 60 . 70.019 -9.014 -0.557 1 11.63 ? O SER A-5 60 1 
ATOM 5641 C CB A SER A-5 1 60 . 69.114 -7.35 -3.322 0.61 11.58 ? CB SER A-5 60 1 
ATOM 5642 C CB B SER A-5 1 60 . 69.456 -7.441 -3.469 0.39 15.38 ? CB SER A-5 60 1 
ATOM 5643 O OG A SER A-5 1 60 . 70.218 -7.507 -4.17 0.61 13.75 ? OG SER A-5 60 1 
ATOM 5644 O OG B SER A-5 1 60 . 68.467 -6.634 -4.028 0.39 19.4 ? OG SER A-5 60 1 
ATOM 5645 H H A SER A-5 1 60 . 70.806 -5.651 -2.501 0.61 12.49 ? H SER A-5 60 1 
ATOM 5646 H H B SER A-5 1 60 . 70.809 -5.621 -2.49 0.39 12.49 ? H SER A-5 60 1 
ATOM 5647 H HA A SER A-5 1 60 . 68.834 -7.058 -1.324 0.61 13.09 ? HA SER A-5 60 1 
ATOM 5648 H HA B SER A-5 1 60 . 68.797 -7.12 -1.555 0.39 13.33 ? HA SER A-5 60 1 
ATOM 5649 H HB2 A SER A-5 1 60 . 68.577 -8.156 -3.34 0.61 13.9 ? HB2 SER A-5 60 1 
ATOM 5650 H HB2 B SER A-5 1 60 . 70.289 -7.287 -3.941 0.39 18.46 ? HB2 SER A-5 60 1 
ATOM 5651 H HB3 A SER A-5 1 60 . 68.589 -6.588 -3.616 0.61 13.9 ? HB3 SER A-5 60 1 
ATOM 5652 H HB3 B SER A-5 1 60 . 69.192 -8.37 -3.561 0.39 18.46 ? HB3 SER A-5 60 1 
ATOM 5653 H HG A SER A-5 1 60 . 70.682 -8.16 -3.919 0.61 16.5 ? HG SER A-5 60 1 
ATOM 5654 H HG B SER A-5 1 60 . 67.737 -6.758 -3.63 0.39 23.28 ? HG SER A-5 60 1 
ATOM 5655 N N . THR A-5 1 61 . 71.7 -8.416 -1.934 1 11.45 ? N THR A-5 61 1 
ATOM 5656 C CA A THR A-5 1 61 . 72.55 -9.539 -1.596 0.57 11.52 ? CA THR A-5 61 1 
ATOM 5657 C CA B THR A-5 1 61 . 72.518 -9.525 -1.534 0.43 12.95 ? CA THR A-5 61 1 
ATOM 5658 C C . THR A-5 1 61 . 73.989 -9.11 -1.526 1 11.9 ? C THR A-5 61 1 
ATOM 5659 O O . THR A-5 1 61 . 74.451 -8.193 -2.209 1 13.99 ? O THR A-5 61 1 
ATOM 5660 C CB A THR A-5 1 61 . 72.509 -10.666 -2.637 0.57 13.95 ? CB THR A-5 61 1 
ATOM 5661 C CB B THR A-5 1 61 . 72.188 -10.727 -2.454 0.43 14.74 ? CB THR A-5 61 1 
ATOM 5662 O OG1 A THR A-5 1 61 . 73.069 -10.177 -3.852 0.57 19.51 ? OG1 THR A-5 61 1 
ATOM 5663 O OG1 B THR A-5 1 61 . 72.835 -11.928 -2.027 0.43 14.55 ? OG1 THR A-5 61 1 
ATOM 5664 C CG2 A THR A-5 1 61 . 71.112 -11.164 -2.868 0.57 13.93 ? CG2 THR A-5 61 1 
ATOM 5665 C CG2 B THR A-5 1 61 . 72.567 -10.379 -3.812 0.43 19.74 ? CG2 THR A-5 61 1 
ATOM 5666 H H A THR A-5 1 61 . 72.051 -7.869 -2.497 0.57 13.73 ? H THR A-5 61 1 
ATOM 5667 H H B THR A-5 1 61 . 72.056 -7.891 -2.515 0.43 13.73 ? H THR A-5 61 1 
ATOM 5668 H HA A THR A-5 1 61 . 72.29 -9.9 -0.734 0.57 13.82 ? HA THR A-5 61 1 
ATOM 5669 H HA B THR A-5 1 61 . 72.28 -9.776 -0.627 0.43 15.54 ? HA THR A-5 61 1 
ATOM 5670 H HB A THR A-5 1 61 . 73.044 -11.411 -2.318 0.57 16.74 ? HB THR A-5 61 1 
ATOM 5671 H HB B THR A-5 1 61 . 71.228 -10.871 -2.444 0.43 17.69 ? HB THR A-5 61 1 
ATOM 5672 H HG1 A THR A-5 1 61 . 72.626 -9.52 -4.128 0.57 23.41 ? HG1 THR A-5 61 1 
ATOM 5673 H HG1 B THR A-5 1 61 . 72.589 -12.125 -1.248 0.43 17.46 ? HG1 THR A-5 61 1 
ATOM 5674 H HG21 A THR A-5 1 61 . 70.74 -11.506 -2.04 0.57 16.72 ? HG21 THR A-5 61 1 
ATOM 5675 H HG21 B THR A-5 1 61 . 73.517 -10.186 -3.851 0.43 23.69 ? HG21 THR A-5 61 1 
ATOM 5676 H HG22 A THR A-5 1 61 . 70.552 -10.44 -3.189 0.57 16.72 ? HG22 THR A-5 61 1 
ATOM 5677 H HG22 B THR A-5 1 61 . 72.371 -11.116 -4.411 0.43 23.69 ? HG22 THR A-5 61 1 
ATOM 5678 H HG23 A THR A-5 1 61 . 71.118 -11.874 -3.529 0.57 16.72 ? HG23 THR A-5 61 1 
ATOM 5679 H HG23 B THR A-5 1 61 . 72.075 -9.596 -4.104 0.43 23.69 ? HG23 THR A-5 61 1 
ATOM 5680 N N . VAL A-5 1 62 . 74.728 -9.793 -0.652 1 12.18 ? N VAL A-5 62 1 
ATOM 5681 C CA . VAL A-5 1 62 . 76.169 -9.681 -0.517 1 12.02 ? CA VAL A-5 62 1 
ATOM 5682 C C . VAL A-5 1 62 . 76.767 -11.031 -0.902 1 12.58 ? C VAL A-5 62 1 
ATOM 5683 O O . VAL A-5 1 62 . 76.44 -12.05 -0.271 1 13.71 ? O VAL A-5 62 1 
ATOM 5684 C CB . VAL A-5 1 62 . 76.582 -9.241 0.891 1 13.06 ? CB VAL A-5 62 1 
ATOM 5685 C CG1 . VAL A-5 1 62 . 78.136 -9.153 1.019 1 15.06 ? CG1 VAL A-5 62 1 
ATOM 5686 C CG2 . VAL A-5 1 62 . 75.932 -7.926 1.294 1 14.86 ? CG2 VAL A-5 62 1 
ATOM 5687 H H . VAL A-5 1 62 . 74.39 -10.358 -0.099 1 14.62 ? H VAL A-5 62 1 
ATOM 5688 H HA . VAL A-5 1 62 . 76.495 -9.018 -1.145 1 14.42 ? HA VAL A-5 62 1 
ATOM 5689 H HB . VAL A-5 1 62 . 76.28 -9.914 1.519 1 15.67 ? HB VAL A-5 62 1 
ATOM 5690 H HG11 . VAL A-5 1 62 . 78.537 -9.399 0.171 1 18.08 ? HG11 VAL A-5 62 1 
ATOM 5691 H HG12 . VAL A-5 1 62 . 78.382 -8.244 1.252 1 18.08 ? HG12 VAL A-5 62 1 
ATOM 5692 H HG13 . VAL A-5 1 62 . 78.43 -9.764 1.713 1 18.08 ? HG13 VAL A-5 62 1 
ATOM 5693 H HG21 . VAL A-5 1 62 . 75.371 -7.616 0.567 1 17.83 ? HG21 VAL A-5 62 1 
ATOM 5694 H HG22 . VAL A-5 1 62 . 75.394 -8.071 2.089 1 17.83 ? HG22 VAL A-5 62 1 
ATOM 5695 H HG23 . VAL A-5 1 62 . 76.626 -7.275 1.478 1 17.83 ? HG23 VAL A-5 62 1 
ATOM 5696 N N . VAL A-5 1 63 . 77.62 -11.063 -1.925 1 13.42 ? N VAL A-5 63 1 
ATOM 5697 C CA . VAL A-5 1 63 . 78.13 -12.271 -2.515 1 14.03 ? CA VAL A-5 63 1 
ATOM 5698 C C . VAL A-5 1 63 . 79.66 -12.266 -2.423 1 13.78 ? C VAL A-5 63 1 
ATOM 5699 O O . VAL A-5 1 63 . 80.308 -11.465 -3.093 1 14.74 ? O VAL A-5 63 1 
ATOM 5700 C CB . VAL A-5 1 63 . 77.679 -12.456 -3.962 1 15.65 ? CB VAL A-5 63 1 
ATOM 5701 C CG1 . VAL A-5 1 63 . 78.167 -13.813 -4.498 1 18.46 ? CG1 VAL A-5 63 1 
ATOM 5702 C CG2 . VAL A-5 1 63 . 76.176 -12.341 -4.105 1 17.75 ? CG2 VAL A-5 63 1 
ATOM 5703 H H . VAL A-5 1 63 . 77.924 -10.354 -2.304 1 16.1 ? H VAL A-5 63 1 
ATOM 5704 H HA . VAL A-5 1 63 . 77.805 -13.029 -2.004 1 16.84 ? HA VAL A-5 63 1 
ATOM 5705 H HB . VAL A-5 1 63 . 78.082 -11.762 -4.505 1 18.78 ? HB VAL A-5 63 1 
ATOM 5706 H HG11 . VAL A-5 1 63 . 78.662 -14.269 -3.799 1 22.16 ? HG11 VAL A-5 63 1 
ATOM 5707 H HG12 . VAL A-5 1 63 . 77.398 -14.344 -4.759 1 22.16 ? HG12 VAL A-5 63 1 
ATOM 5708 H HG13 . VAL A-5 1 63 . 78.741 -13.661 -5.265 1 22.16 ? HG13 VAL A-5 63 1 
ATOM 5709 H HG21 . VAL A-5 1 63 . 75.788 -12.169 -3.233 1 21.3 ? HG21 VAL A-5 63 1 
ATOM 5710 H HG22 . VAL A-5 1 63 . 75.971 -11.611 -4.709 1 21.3 ? HG22 VAL A-5 63 1 
ATOM 5711 H HG23 . VAL A-5 1 63 . 75.829 -13.174 -4.463 1 21.3 ? HG23 VAL A-5 63 1 
ATOM 5712 N N A PRO A-5 1 64 . 80.265 -13.123 -1.593 0.4 14.41 ? N PRO A-5 64 1 
ATOM 5713 N N B PRO A-5 1 64 . 80.257 -13.121 -1.597 0.6 14.29 ? N PRO A-5 64 1 
ATOM 5714 C CA A PRO A-5 1 64 . 81.725 -13.11 -1.595 0.4 16.01 ? CA PRO A-5 64 1 
ATOM 5715 C CA B PRO A-5 1 64 . 81.703 -13.226 -1.505 0.6 13.64 ? CA PRO A-5 64 1 
ATOM 5716 C C A PRO A-5 1 64 . 82.278 -13.69 -2.872 0.4 17.1 ? C PRO A-5 64 1 
ATOM 5717 C C B PRO A-5 1 64 . 82.286 -13.755 -2.813 0.6 12.57 ? C PRO A-5 64 1 
ATOM 5718 O O A PRO A-5 1 64 . 81.647 -14.471 -3.554 0.4 20.68 ? O PRO A-5 64 1 
ATOM 5719 O O B PRO A-5 1 64 . 81.677 -14.627 -3.444 0.6 13.17 ? O PRO A-5 64 1 
ATOM 5720 C CB A PRO A-5 1 64 . 82.091 -14.002 -0.417 0.4 18.1 ? CB PRO A-5 64 1 
ATOM 5721 C CB B PRO A-5 1 64 . 81.865 -14.265 -0.377 0.6 15.69 ? CB PRO A-5 64 1 
ATOM 5722 C CG A PRO A-5 1 64 . 80.93 -14.944 -0.298 0.4 17.92 ? CG PRO A-5 64 1 
ATOM 5723 C CG B PRO A-5 1 64 . 80.563 -14.247 0.385 0.6 15.77 ? CG PRO A-5 64 1 
ATOM 5724 C CD A PRO A-5 1 64 . 79.715 -14.146 -0.685 0.4 15.84 ? CD PRO A-5 64 1 
ATOM 5725 C CD B PRO A-5 1 64 . 79.57 -14.036 -0.662 0.6 15.97 ? CD PRO A-5 64 1 
ATOM 5726 H HA A PRO A-5 1 64 . 82.069 -12.214 -1.456 0.4 19.21 ? HA PRO A-5 64 1 
ATOM 5727 H HA B PRO A-5 1 64 . 82.11 -12.382 -1.258 0.6 16.37 ? HA PRO A-5 64 1 
ATOM 5728 H HB2 A PRO A-5 1 64 . 82.909 -14.484 -0.61 0.4 21.72 ? HB2 PRO A-5 64 1 
ATOM 5729 H HB2 B PRO A-5 1 64 . 82.023 -15.141 -0.762 0.6 18.82 ? HB2 PRO A-5 64 1 
ATOM 5730 H HB3 A PRO A-5 1 64 . 82.185 -13.465 0.385 0.4 21.72 ? HB3 PRO A-5 64 1 
ATOM 5731 H HB3 B PRO A-5 1 64 . 82.6 -14.006 0.199 0.6 18.82 ? HB3 PRO A-5 64 1 
ATOM 5732 H HG2 A PRO A-5 1 64 . 81.055 -15.691 -0.904 0.4 21.51 ? HG2 PRO A-5 64 1 
ATOM 5733 H HG2 B PRO A-5 1 64 . 80.426 -15.1 0.828 0.6 18.93 ? HG2 PRO A-5 64 1 
ATOM 5734 H HG3 A PRO A-5 1 64 . 80.856 -15.256 0.618 0.4 21.51 ? HG3 PRO A-5 64 1 
ATOM 5735 H HG3 B PRO A-5 1 64 . 80.559 -13.516 1.022 0.6 18.93 ? HG3 PRO A-5 64 1 
ATOM 5736 H HD2 A PRO A-5 1 64 . 79.076 -14.705 -1.152 0.4 19.01 ? HD2 PRO A-5 64 1 
ATOM 5737 H HD2 B PRO A-5 1 64 . 79.359 -14.874 -1.103 0.6 19.17 ? HD2 PRO A-5 64 1 
ATOM 5738 H HD3 A PRO A-5 1 64 . 79.32 -13.728 0.097 0.4 19.01 ? HD3 PRO A-5 64 1 
ATOM 5739 H HD3 B PRO A-5 1 64 . 78.777 -13.614 -0.297 0.6 19.17 ? HD3 PRO A-5 64 1 
ATOM 5740 N N . SER A-5 1 65 . 83.491 -13.284 -3.178 1 14.69 ? N SER A-5 65 1 
ATOM 5741 C CA . SER A-5 1 65 . 84.161 -13.805 -4.357 1 15.84 ? CA SER A-5 65 1 
ATOM 5742 C C . SER A-5 1 65 . 84.703 -15.218 -4.155 1 16.17 ? C SER A-5 65 1 
ATOM 5743 O O . SER A-5 1 65 . 85.023 -15.868 -5.161 1 18.72 ? O SER A-5 65 1 
ATOM 5744 C CB . SER A-5 1 65 . 85.259 -12.849 -4.805 1 17.43 ? CB SER A-5 65 1 
ATOM 5745 O OG . SER A-5 1 65 . 86.218 -12.757 -3.779 1 18.35 ? OG SER A-5 65 1 
ATOM 5746 H H A SER A-5 1 65 . 83.948 -12.713 -2.726 0.4 17.63 ? H SER A-5 65 1 
ATOM 5747 H H B SER A-5 1 65 . 83.927 -12.672 -2.759 0.6 17.63 ? H SER A-5 65 1 
ATOM 5748 H HA . SER A-5 1 65 . 83.511 -13.85 -5.076 1 19.01 ? HA SER A-5 65 1 
ATOM 5749 H HB2 . SER A-5 1 65 . 85.678 -13.193 -5.61 1 20.92 ? HB2 SER A-5 65 1 
ATOM 5750 H HB3 . SER A-5 1 65 . 84.877 -11.973 -4.97 1 20.92 ? HB3 SER A-5 65 1 
ATOM 5751 H HG . SER A-5 1 65 . 86.834 -12.234 -4.007 1 22.02 ? HG SER A-5 65 1 
ATOM 5752 N N . ARG A-5 1 66 . 84.841 -15.648 -2.902 1 16.03 ? N ARG A-5 66 1 
ATOM 5753 C CA . ARG A-5 1 66 . 85.282 -17.011 -2.615 1 17.06 ? CA ARG A-5 66 1 
ATOM 5754 C C . ARG A-5 1 66 . 84.687 -17.363 -1.278 1 16.58 ? C ARG A-5 66 1 
ATOM 5755 O O . ARG A-5 1 66 . 84.274 -16.457 -0.522 1 16.99 ? O ARG A-5 66 1 
ATOM 5756 C CB . ARG A-5 1 66 . 86.803 -17.139 -2.616 1 18.77 ? CB ARG A-5 66 1 
ATOM 5757 C CG . ARG A-5 1 66 . 87.537 -16.155 -1.775 1 21 ? CG ARG A-5 66 1 
ATOM 5758 C CD . ARG A-5 1 66 . 87.721 -16.513 -0.354 1 24.98 ? CD ARG A-5 66 1 
ATOM 5759 N NE . ARG A-5 1 66 . 88.806 -15.795 0.346 1 25.02 ? NE ARG A-5 66 1 
ATOM 5760 C CZ . ARG A-5 1 66 . 89.092 -16.026 1.622 1 23.19 ? CZ ARG A-5 66 1 
ATOM 5761 N NH1 . ARG A-5 1 66 . 88.427 -17.001 2.29 1 23.76 ? NH1 ARG A-5 66 1 
ATOM 5762 N NH2 . ARG A-5 1 66 . 90.035 -15.326 2.214 1 26.1 ? NH2 ARG A-5 66 1 
ATOM 5763 H H . ARG A-5 1 66 . 84.686 -15.171 -2.203 1 19.23 ? H ARG A-5 66 1 
ATOM 5764 H HA . ARG A-5 1 66 . 84.921 -17.616 -3.281 1 20.47 ? HA ARG A-5 66 1 
ATOM 5765 H HB2 . ARG A-5 1 66 . 87.035 -18.025 -2.296 1 22.53 ? HB2 ARG A-5 66 1 
ATOM 5766 H HB3 . ARG A-5 1 66 . 87.117 -17.033 -3.528 1 22.53 ? HB3 ARG A-5 66 1 
ATOM 5767 H HG2 . ARG A-5 1 66 . 88.421 -16.029 -2.157 1 25.2 ? HG2 ARG A-5 66 1 
ATOM 5768 H HG3 . ARG A-5 1 66 . 87.054 -15.315 -1.8 1 25.2 ? HG3 ARG A-5 66 1 
ATOM 5769 H HD2 . ARG A-5 1 66 . 86.895 -16.326 0.119 1 29.97 ? HD2 ARG A-5 66 1 
ATOM 5770 H HD3 . ARG A-5 1 66 . 87.917 -17.462 -0.3 1 29.97 ? HD3 ARG A-5 66 1 
ATOM 5771 H HE . ARG A-5 1 66 . 89.399 -15.395 -0.133 1 30.03 ? HE ARG A-5 66 1 
ATOM 5772 H HH11 . ARG A-5 1 66 . 87.804 -17.444 1.897 1 28.51 ? HH11 ARG A-5 66 1 
ATOM 5773 H HH12 . ARG A-5 1 66 . 88.615 -17.163 3.114 1 28.51 ? HH12 ARG A-5 66 1 
ATOM 5774 H HH21 . ARG A-5 1 66 . 90.463 -14.722 1.775 1 31.32 ? HH21 ARG A-5 66 1 
ATOM 5775 H HH22 . ARG A-5 1 66 . 90.245 -15.491 3.032 1 31.32 ? HH22 ARG A-5 66 1 
ATOM 5776 N N . PRO A-5 1 67 . 84.62 -18.647 -0.928 1 18.26 ? N PRO A-5 67 1 
ATOM 5777 C CA . PRO A-5 1 67 . 84.018 -19.026 0.351 1 18.44 ? CA PRO A-5 67 1 
ATOM 5778 C C . PRO A-5 1 67 . 84.816 -18.48 1.519 1 18.03 ? C PRO A-5 67 1 
ATOM 5779 O O . PRO A-5 1 67 . 86.028 -18.365 1.441 1 18.98 ? O PRO A-5 67 1 
ATOM 5780 C CB . PRO A-5 1 67 . 84.077 -20.574 0.313 1 20.51 ? CB PRO A-5 67 1 
ATOM 5781 C CG . PRO A-5 1 67 . 84.096 -20.917 -1.134 1 20.52 ? CG PRO A-5 67 1 
ATOM 5782 C CD . PRO A-5 1 67 . 84.943 -19.814 -1.76 1 19.37 ? CD PRO A-5 67 1 
ATOM 5783 H HA . PRO A-5 1 67 . 83.097 -18.728 0.406 1 22.12 ? HA PRO A-5 67 1 
ATOM 5784 H HB2 . PRO A-5 1 67 . 84.885 -20.882 0.751 1 24.62 ? HB2 PRO A-5 67 1 
ATOM 5785 H HB3 . PRO A-5 1 67 . 83.289 -20.942 0.744 1 24.62 ? HB3 PRO A-5 67 1 
ATOM 5786 H HG2 . PRO A-5 1 67 . 84.508 -21.786 -1.262 1 24.62 ? HG2 PRO A-5 67 1 
ATOM 5787 H HG3 . PRO A-5 1 67 . 83.193 -20.905 -1.489 1 24.62 ? HG3 PRO A-5 67 1 
ATOM 5788 H HD2 . PRO A-5 1 67 . 85.886 -20.029 -1.691 1 23.24 ? HD2 PRO A-5 67 1 
ATOM 5789 H HD3 . PRO A-5 1 67 . 84.677 -19.661 -2.68 1 23.24 ? HD3 PRO A-5 67 1 
ATOM 5790 N N . VAL A-5 1 68 . 84.126 -18.199 2.616 1 19.92 ? N VAL A-5 68 1 
ATOM 5791 C CA A VAL A-5 1 68 . 84.737 -17.633 3.81 0.69 20.3 ? CA VAL A-5 68 1 
ATOM 5792 C CA B VAL A-5 1 68 . 84.769 -17.656 3.8 0.31 22.7 ? CA VAL A-5 68 1 
ATOM 5793 C C . VAL A-5 1 68 . 84.257 -18.359 5.04 1 20.4 ? C VAL A-5 68 1 
ATOM 5794 O O . VAL A-5 1 68 . 83.082 -18.715 5.129 1 22.58 ? O VAL A-5 68 1 
ATOM 5795 C CB A VAL A-5 1 68 . 84.464 -16.095 3.911 0.69 22.01 ? CB VAL A-5 68 1 
ATOM 5796 C CB B VAL A-5 1 68 . 84.518 -16.137 3.921 0.31 27.12 ? CB VAL A-5 68 1 
ATOM 5797 C CG1 A VAL A-5 1 68 . 83.019 -15.81 4.307 0.69 23.66 ? CG1 VAL A-5 68 1 
ATOM 5798 C CG1 B VAL A-5 1 68 . 85.434 -15.531 4.972 0.31 30.01 ? CG1 VAL A-5 68 1 
ATOM 5799 C CG2 A VAL A-5 1 68 . 85.456 -15.423 4.868 0.69 26.25 ? CG2 VAL A-5 68 1 
ATOM 5800 C CG2 B VAL A-5 1 68 . 84.737 -15.46 2.572 0.31 27.34 ? CG2 VAL A-5 68 1 
ATOM 5801 H H A VAL A-5 1 68 . 83.28 -18.333 2.695 0.69 23.9 ? H VAL A-5 68 1 
ATOM 5802 H H B VAL A-5 1 68 . 83.278 -18.316 2.699 0.31 23.9 ? H VAL A-5 68 1 
ATOM 5803 H HA A VAL A-5 1 68 . 85.697 -17.756 3.753 0.69 24.36 ? HA VAL A-5 68 1 
ATOM 5804 H HA B VAL A-5 1 68 . 85.726 -17.803 3.74 0.31 27.24 ? HA VAL A-5 68 1 
ATOM 5805 H HB A VAL A-5 1 68 . 84.604 -15.705 3.034 0.69 26.41 ? HB VAL A-5 68 1 
ATOM 5806 H HB B VAL A-5 1 68 . 83.6 -15.983 4.193 0.31 32.55 ? HB VAL A-5 68 1 
ATOM 5807 H HG11 A VAL A-5 1 68 . 82.55 -16.652 4.418 0.69 28.39 ? HG11 VAL A-5 68 1 
ATOM 5808 H HG11 B VAL A-5 1 68 . 85.26 -14.578 5.031 0.31 36.01 ? HG11 VAL A-5 68 1 
ATOM 5809 H HG12 A VAL A-5 1 68 . 83.013 -15.314 5.141 0.69 28.39 ? HG12 VAL A-5 68 1 
ATOM 5810 H HG12 B VAL A-5 1 68 . 85.256 -15.954 5.827 0.31 36.01 ? HG12 VAL A-5 68 1 
ATOM 5811 H HG13 A VAL A-5 1 68 . 82.598 -15.287 3.607 0.69 28.39 ? HG13 VAL A-5 68 1 
ATOM 5812 H HG13 B VAL A-5 1 68 . 86.356 -15.684 4.713 0.31 36.01 ? HG13 VAL A-5 68 1 
ATOM 5813 H HG21 A VAL A-5 1 68 . 86.059 -16.096 5.222 0.69 31.5 ? HG21 VAL A-5 68 1 
ATOM 5814 H HG21 B VAL A-5 1 68 . 84.577 -14.507 2.667 0.31 32.81 ? HG21 VAL A-5 68 1 
ATOM 5815 H HG22 A VAL A-5 1 68 . 85.959 -14.751 4.381 0.69 31.5 ? HG22 VAL A-5 68 1 
ATOM 5816 H HG22 B VAL A-5 1 68 . 85.652 -15.614 2.286 0.31 32.81 ? HG22 VAL A-5 68 1 
ATOM 5817 H HG23 A VAL A-5 1 68 . 84.963 -15.007 5.593 0.69 31.5 ? HG23 VAL A-5 68 1 
ATOM 5818 H HG23 B VAL A-5 1 68 . 84.12 -15.837 1.926 0.31 32.81 ? HG23 VAL A-5 68 1 
ATOM 5819 N N . SER A-5 1 69 . 85.153 -18.551 5.993 1 22.28 ? N SER A-5 69 1 
ATOM 5820 C CA A SER A-5 1 69 . 84.811 -19.114 7.293 0.74 25.23 ? CA SER A-5 69 1 
ATOM 5821 C CA B SER A-5 1 69 . 84.796 -19.131 7.278 0.26 25.57 ? CA SER A-5 69 1 
ATOM 5822 C C . SER A-5 1 69 . 83.83 -18.221 8.009 1 28.28 ? C SER A-5 69 1 
ATOM 5823 O O . SER A-5 1 69 . 84.077 -16.994 8.143 1 29.46 ? O SER A-5 69 1 
ATOM 5824 C CB A SER A-5 1 69 . 86.083 -19.268 8.12 0.74 27.46 ? CB SER A-5 69 1 
ATOM 5825 C CB B SER A-5 1 69 . 86.039 -19.353 8.13 0.26 27.57 ? CB SER A-5 69 1 
ATOM 5826 O OG A SER A-5 1 69 . 85.792 -19.809 9.4 0.74 29.62 ? OG SER A-5 69 1 
ATOM 5827 O OG B SER A-5 1 69 . 86.637 -18.122 8.493 0.26 29.93 ? OG SER A-5 69 1 
ATOM 5828 H H A SER A-5 1 69 . 85.988 -18.358 5.911 0.74 26.74 ? H SER A-5 69 1 
ATOM 5829 H H B SER A-5 1 69 . 85.987 -18.351 5.921 0.26 26.74 ? H SER A-5 69 1 
ATOM 5830 H HA A SER A-5 1 69 . 84.409 -19.989 7.175 0.74 30.27 ? HA SER A-5 69 1 
ATOM 5831 H HA B SER A-5 1 69 . 84.363 -19.987 7.136 0.26 30.69 ? HA SER A-5 69 1 
ATOM 5832 H HB2 A SER A-5 1 69 . 86.692 -19.865 7.656 0.74 32.96 ? HB2 SER A-5 69 1 
ATOM 5833 H HB2 B SER A-5 1 69 . 85.788 -19.831 8.937 0.26 33.09 ? HB2 SER A-5 69 1 
ATOM 5834 H HB3 A SER A-5 1 69 . 86.494 -18.397 8.231 0.74 32.96 ? HB3 SER A-5 69 1 
ATOM 5835 H HB3 B SER A-5 1 69 . 86.68 -19.876 7.623 0.26 33.09 ? HB3 SER A-5 69 1 
ATOM 5836 H HG A SER A-5 1 69 . 85.435 -20.565 9.318 0.74 35.54 ? HG SER A-5 69 1 
ATOM 5837 H HG B SER A-5 1 69 . 87.32 -18.261 8.961 0.26 35.92 ? HG SER A-5 69 1 
ATOM 5838 N N . HIS A-5 1 70 . 82.705 -18.794 8.443 1 40.25 ? N HIS A-5 70 1 
ATOM 5839 C CA . HIS A-5 1 70 . 81.702 -18.047 9.213 1 58.65 ? CA HIS A-5 70 1 
ATOM 5840 C C . HIS A-5 1 70 . 80.777 -18.979 9.983 1 92.95 ? C HIS A-5 70 1 
ATOM 5841 O O . HIS A-5 1 70 . 80.814 -20.194 9.796 1 119.89 ? O HIS A-5 70 1 
ATOM 5842 C CB . HIS A-5 1 70 . 80.868 -17.14 8.303 1 43.68 ? CB HIS A-5 70 1 
ATOM 5843 C CG . HIS A-5 1 70 . 80.032 -17.883 7.308 1 35.21 ? CG HIS A-5 70 1 
ATOM 5844 N ND1 . HIS A-5 1 70 . 80.539 -18.357 6.111 1 34.11 ? ND1 HIS A-5 70 1 
ATOM 5845 C CD2 . HIS A-5 1 70 . 78.706 -18.188 7.313 1 34.6 ? CD2 HIS A-5 70 1 
ATOM 5846 C CE1 . HIS A-5 1 70 . 79.563 -18.946 5.436 1 33.47 ? CE1 HIS A-5 70 1 
ATOM 5847 N NE2 . HIS A-5 1 70 . 78.442 -18.848 6.139 1 35.17 ? NE2 HIS A-5 70 1 
ATOM 5848 H H . HIS A-5 1 70 . 82.497 -19.618 8.305 1 48.3 ? H HIS A-5 70 1 
ATOM 5849 H HA . HIS A-5 1 70 . 82.158 -17.482 9.856 1 70.38 ? HA HIS A-5 70 1 
ATOM 5850 H HB2 . HIS A-5 1 70 . 80.271 -16.608 8.853 1 52.41 ? HB2 HIS A-5 70 1 
ATOM 5851 H HB3 . HIS A-5 1 70 . 81.467 -16.557 7.81 1 52.41 ? HB3 HIS A-5 70 1 
ATOM 5852 H HD1 . HIS A-5 1 70 . 81.357 -18.292 5.854 1 40.93 ? HD1 HIS A-5 70 1 
ATOM 5853 H HD2 . HIS A-5 1 70 . 78.096 -17.989 7.986 1 41.52 ? HD2 HIS A-5 70 1 
ATOM 5854 H HE1 . HIS A-5 1 70 . 79.648 -19.351 4.604 1 40.16 ? HE1 HIS A-5 70 1 
ATOM 5855 H HE2 . HIS A-5 1 70 . 77.676 -19.161 5.903 1 42.21 ? HE2 HIS A-5 70 1 
ATOM 5856 N N . SER A-6 1 6 . 65.826 16.073 14.384 1 42.4 ? N SER A-6 6 1 
ATOM 5857 C CA . SER A-6 1 6 . 66.578 17.226 14.868 1 38.11 ? CA SER A-6 6 1 
ATOM 5858 C C . SER A-6 1 6 . 66.795 18.251 13.75 1 27.53 ? C SER A-6 6 1 
ATOM 5859 O O . SER A-6 1 6 . 66.955 19.449 14.041 1 30.47 ? O SER A-6 6 1 
ATOM 5860 C CB . SER A-6 1 6 . 67.931 16.794 15.443 1 44.85 ? CB SER A-6 6 1 
ATOM 5861 O OG . SER A-6 1 6 . 68.735 17.932 15.701 1 49.08 ? OG SER A-6 6 1 
ATOM 5862 H HA . SER A-6 1 6 . 66.074 17.656 15.577 1 45.73 ? HA SER A-6 6 1 
ATOM 5863 H HB2 . SER A-6 1 6 . 67.784 16.312 16.273 1 53.82 ? HB2 SER A-6 6 1 
ATOM 5864 H HB3 . SER A-6 1 6 . 68.382 16.224 14.801 1 53.82 ? HB3 SER A-6 6 1 
ATOM 5865 H HG . SER A-6 1 6 . 68.353 18.434 16.254 1 58.9 ? HG SER A-6 6 1 
ATOM 5866 N N . LEU A-6 1 7 . 66.905 17.773 12.522 1 20.91 ? N LEU A-6 7 1 
ATOM 5867 C CA . LEU A-6 1 7 . 66.98 18.662 11.376 1 17.82 ? CA LEU A-6 7 1 
ATOM 5868 C C . LEU A-6 1 7 . 65.726 18.622 10.553 1 15.24 ? C LEU A-6 7 1 
ATOM 5869 O O . LEU A-6 1 7 . 65.244 19.653 10.059 1 15.55 ? O LEU A-6 7 1 
ATOM 5870 C CB . LEU A-6 1 7 . 68.174 18.197 10.575 1 21.87 ? CB LEU A-6 7 1 
ATOM 5871 C CG . LEU A-6 1 7 . 68.48 18.781 9.249 1 32.23 ? CG LEU A-6 7 1 
ATOM 5872 C CD1 . LEU A-6 1 7 . 68.741 20.262 9.47 1 37.58 ? CD1 LEU A-6 7 1 
ATOM 5873 C CD2 . LEU A-6 1 7 . 69.736 18.04 8.797 1 35.21 ? CD2 LEU A-6 7 1 
ATOM 5874 H H . LEU A-6 1 7 . 66.938 16.936 12.324 1 25.1 ? H LEU A-6 7 1 
ATOM 5875 H HA . LEU A-6 1 7 . 67.134 19.572 11.673 1 21.38 ? HA LEU A-6 7 1 
ATOM 5876 H HB2 . LEU A-6 1 7 . 68.961 18.342 11.123 1 26.25 ? HB2 LEU A-6 7 1 
ATOM 5877 H HB3 . LEU A-6 1 7 . 68.069 17.243 10.433 1 26.25 ? HB3 LEU A-6 7 1 
ATOM 5878 H HG . LEU A-6 1 7 . 67.753 18.647 8.621 1 38.68 ? HG LEU A-6 7 1 
ATOM 5879 H HD11 . LEU A-6 1 7 . 67.948 20.668 9.854 1 45.1 ? HD11 LEU A-6 7 1 
ATOM 5880 H HD12 . LEU A-6 1 7 . 69.492 20.362 10.076 1 45.1 ? HD12 LEU A-6 7 1 
ATOM 5881 H HD13 . LEU A-6 1 7 . 68.946 20.676 8.618 1 45.1 ? HD13 LEU A-6 7 1 
ATOM 5882 H HD21 . LEU A-6 1 7 . 70.444 18.197 9.441 1 42.25 ? HD21 LEU A-6 7 1 
ATOM 5883 H HD22 . LEU A-6 1 7 . 69.54 17.092 8.744 1 42.25 ? HD22 LEU A-6 7 1 
ATOM 5884 H HD23 . LEU A-6 1 7 . 70.001 18.372 7.925 1 42.25 ? HD23 LEU A-6 7 1 
ATOM 5885 N N . GLN A-6 1 8 . 65.126 17.457 10.413 1 14.65 ? N GLN A-6 8 1 
ATOM 5886 C CA . GLN A-6 1 8 . 63.957 17.296 9.586 1 13.73 ? CA GLN A-6 8 1 
ATOM 5887 C C . GLN A-6 1 8 . 62.798 18.194 10.077 1 13.27 ? C GLN A-6 8 1 
ATOM 5888 O O . GLN A-6 1 8 . 62.154 18.858 9.3 1 13.98 ? O GLN A-6 8 1 
ATOM 5889 C CB . GLN A-6 1 8 . 63.525 15.829 9.619 1 13.51 ? CB GLN A-6 8 1 
ATOM 5890 C CG . GLN A-6 1 8 . 62.306 15.597 8.747 1 13.39 ? CG GLN A-6 8 1 
ATOM 5891 C CD . GLN A-6 1 8 . 61.701 14.207 8.828 1 13.61 ? CD GLN A-6 8 1 
ATOM 5892 O OE1 . GLN A-6 1 8 . 60.671 13.969 8.181 1 13.58 ? OE1 GLN A-6 8 1 
ATOM 5893 N NE2 . GLN A-6 1 8 . 62.306 13.299 9.561 1 14.77 ? NE2 GLN A-6 8 1 
ATOM 5894 H H . GLN A-6 1 8 . 65.383 16.732 10.796 1 17.59 ? H GLN A-6 8 1 
ATOM 5895 H HA . GLN A-6 1 8 . 64.17 17.535 8.67 1 16.47 ? HA GLN A-6 8 1 
ATOM 5896 H HB2 . GLN A-6 1 8 . 64.247 15.274 9.287 1 16.22 ? HB2 GLN A-6 8 1 
ATOM 5897 H HB3 . GLN A-6 1 8 . 63.301 15.582 10.53 1 16.22 ? HB3 GLN A-6 8 1 
ATOM 5898 H HG2 . GLN A-6 1 8 . 61.617 16.229 9.008 1 16.06 ? HG2 GLN A-6 8 1 
ATOM 5899 H HG3 . GLN A-6 1 8 . 62.555 15.753 7.823 1 16.06 ? HG3 GLN A-6 8 1 
ATOM 5900 H HE21 . GLN A-6 1 8 . 61.978 12.505 9.619 1 17.72 ? HE21 GLN A-6 8 1 
ATOM 5901 H HE22 . GLN A-6 1 8 . 63.028 13.498 9.982 1 17.72 ? HE22 GLN A-6 8 1 
ATOM 5902 N N . ASP A-6 1 9 . 62.499 18.118 11.364 1 14.81 ? N ASP A-6 9 1 
ATOM 5903 C CA . ASP A-6 1 9 . 61.371 18.87 11.898 1 16.02 ? CA ASP A-6 9 1 
ATOM 5904 C C . ASP A-6 1 9 . 61.569 20.393 11.74 1 15.74 ? C ASP A-6 9 1 
ATOM 5905 O O . ASP A-6 1 9 . 60.671 21.038 11.214 1 16.58 ? O ASP A-6 9 1 
ATOM 5906 C CB . ASP A-6 1 9 . 61.139 18.449 13.348 1 19.19 ? CB ASP A-6 9 1 
ATOM 5907 C CG . ASP A-6 1 9 . 60.152 19.278 14.057 1 22.22 ? CG ASP A-6 9 1 
ATOM 5908 O OD1 . ASP A-6 1 9 . 58.953 19.045 13.917 0.44 22.76 ? OD1 ASP A-6 9 1 
ATOM 5909 O OD2 . ASP A-6 1 9 . 60.559 20.17 14.802 0.37 21.47 ? OD2 ASP A-6 9 1 
ATOM 5910 H H . ASP A-6 1 9 . 62.925 17.646 11.944 1 17.78 ? H ASP A-6 9 1 
ATOM 5911 H HA . ASP A-6 1 9 . 60.577 18.628 11.395 1 19.23 ? HA ASP A-6 9 1 
ATOM 5912 H HB2 . ASP A-6 1 9 . 60.82 17.533 13.36 1 23.02 ? HB2 ASP A-6 9 1 
ATOM 5913 H HB3 . ASP A-6 1 9 . 61.979 18.511 13.829 1 23.02 ? HB3 ASP A-6 9 1 
ATOM 5914 N N . PRO A-6 1 10 . 62.724 20.969 12.119 1 16.43 ? N PRO A-6 10 1 
ATOM 5915 C CA A PRO A-6 1 10 . 62.8 22.422 11.885 0.94 18.58 ? CA PRO A-6 10 1 
ATOM 5916 C CA B PRO A-6 1 10 . 62.83 22.416 11.887 0.06 16.46 ? CA PRO A-6 10 1 
ATOM 5917 C C . PRO A-6 1 10 . 62.783 22.806 10.401 1 16.76 ? C PRO A-6 10 1 
ATOM 5918 O O . PRO A-6 1 10 . 62.278 23.871 10.077 1 16.14 ? O PRO A-6 10 1 
ATOM 5919 C CB A PRO A-6 1 10 . 64.099 22.845 12.604 0.94 22.9 ? CB PRO A-6 10 1 
ATOM 5920 C CB B PRO A-6 1 10 . 64.178 22.784 12.525 0.06 16.72 ? CB PRO A-6 10 1 
ATOM 5921 C CG A PRO A-6 1 10 . 64.757 21.595 12.938 0.94 22.9 ? CG PRO A-6 10 1 
ATOM 5922 C CG B PRO A-6 1 10 . 64.874 21.49 12.768 0.06 16.67 ? CG PRO A-6 10 1 
ATOM 5923 C CD A PRO A-6 1 10 . 63.795 20.483 12.988 0.94 18.61 ? CD PRO A-6 10 1 
ATOM 5924 C CD B PRO A-6 1 10 . 63.829 20.448 12.934 0.06 15.79 ? CD PRO A-6 10 1 
ATOM 5925 H HA A PRO A-6 1 10 . 62.052 22.858 12.322 0.94 22.3 ? HA PRO A-6 10 1 
ATOM 5926 H HA B PRO A-6 1 10 . 62.12 22.88 12.357 0.06 19.75 ? HA PRO A-6 10 1 
ATOM 5927 H HB2 A PRO A-6 1 10 . 64.65 23.375 12.005 0.94 27.48 ? HB2 PRO A-6 10 1 
ATOM 5928 H HB2 B PRO A-6 1 10 . 64.689 23.336 11.912 0.06 20.07 ? HB2 PRO A-6 10 1 
ATOM 5929 H HB3 A PRO A-6 1 10 . 63.882 23.346 13.407 0.94 27.48 ? HB3 PRO A-6 10 1 
ATOM 5930 H HB3 B PRO A-6 1 10 . 64.025 23.251 13.36 0.06 20.07 ? HB3 PRO A-6 10 1 
ATOM 5931 H HG2 A PRO A-6 1 10 . 65.43 21.41 12.264 0.94 27.48 ? HG2 PRO A-6 10 1 
ATOM 5932 H HG2 B PRO A-6 1 10 . 65.439 21.282 12.008 0.06 20 ? HG2 PRO A-6 10 1 
ATOM 5933 H HG3 A PRO A-6 1 10 . 65.184 21.693 13.804 0.94 27.48 ? HG3 PRO A-6 10 1 
ATOM 5934 H HG3 B PRO A-6 1 10 . 65.409 21.561 13.575 0.06 20 ? HG3 PRO A-6 10 1 
ATOM 5935 H HD2 A PRO A-6 1 10 . 64.188 19.673 12.626 0.94 22.33 ? HD2 PRO A-6 10 1 
ATOM 5936 H HD2 B PRO A-6 1 10 . 64.139 19.598 12.584 0.06 18.94 ? HD2 PRO A-6 10 1 
ATOM 5937 H HD3 A PRO A-6 1 10 . 63.469 20.352 13.893 0.94 22.33 ? HD3 PRO A-6 10 1 
ATOM 5938 H HD3 B PRO A-6 1 10 . 63.563 20.377 13.864 0.06 18.94 ? HD3 PRO A-6 10 1 
ATOM 5939 N N . PHE A-6 1 11 . 63.3 21.96 9.51 1 15.25 ? N PHE A-6 11 1 
ATOM 5940 C CA . PHE A-6 1 11 . 63.277 22.268 8.09 1 14.68 ? CA PHE A-6 11 1 
ATOM 5941 C C . PHE A-6 1 11 . 61.847 22.277 7.59 1 13.41 ? C PHE A-6 11 1 
ATOM 5942 O O . PHE A-6 1 11 . 61.405 23.201 6.932 1 14.32 ? O PHE A-6 11 1 
ATOM 5943 C CB . PHE A-6 1 11 . 64.144 21.25 7.33 1 14.91 ? CB PHE A-6 11 1 
ATOM 5944 C CG . PHE A-6 1 11 . 64.385 21.637 5.919 1 15.72 ? CG PHE A-6 11 1 
ATOM 5945 C CD1 . PHE A-6 1 11 . 65.305 22.663 5.61 1 20.17 ? CD1 PHE A-6 11 1 
ATOM 5946 C CD2 . PHE A-6 1 11 . 63.761 20.976 4.88 1 16.55 ? CD2 PHE A-6 11 1 
ATOM 5947 C CE1 . PHE A-6 1 11 . 65.576 22.993 4.29 1 21.93 ? CE1 PHE A-6 11 1 
ATOM 5948 C CE2 . PHE A-6 1 11 . 64.041 21.316 3.501 1 18.03 ? CE2 PHE A-6 11 1 
ATOM 5949 C CZ . PHE A-6 1 11 . 64.953 22.315 3.265 1 19.5 ? CZ PHE A-6 11 1 
ATOM 5950 H H . PHE A-6 1 11 . 63.665 21.208 9.705 1 18.3 ? H PHE A-6 11 1 
ATOM 5951 H HA . PHE A-6 1 11 . 63.653 23.15 7.949 1 17.62 ? HA PHE A-6 11 1 
ATOM 5952 H HB2 . PHE A-6 1 11 . 65.003 21.175 7.772 1 17.89 ? HB2 PHE A-6 11 1 
ATOM 5953 H HB3 . PHE A-6 1 11 . 63.694 20.39 7.332 1 17.89 ? HB3 PHE A-6 11 1 
ATOM 5954 H HD1 . PHE A-6 1 11 . 65.746 23.109 6.297 1 24.2 ? HD1 PHE A-6 11 1 
ATOM 5955 H HD2 . PHE A-6 1 11 . 63.165 20.287 5.069 1 19.85 ? HD2 PHE A-6 11 1 
ATOM 5956 H HE1 . PHE A-6 1 11 . 66.18 23.671 4.097 1 26.31 ? HE1 PHE A-6 11 1 
ATOM 5957 H HE2 . PHE A-6 1 11 . 63.619 20.873 2.8 1 21.64 ? HE2 PHE A-6 11 1 
ATOM 5958 H HZ . PHE A-6 1 11 . 65.129 22.566 2.387 1 23.41 ? HZ PHE A-6 11 1 
ATOM 5959 N N . LEU A-6 1 12 . 61.122 21.192 7.851 1 13.43 ? N LEU A-6 12 1 
ATOM 5960 C CA . LEU A-6 1 12 . 59.714 21.142 7.436 1 13.5 ? CA LEU A-6 12 1 
ATOM 5961 C C . LEU A-6 1 12 . 58.898 22.233 8.093 1 13.15 ? C LEU A-6 12 1 
ATOM 5962 O O . LEU A-6 1 12 . 58.009 22.821 7.429 1 14.08 ? O LEU A-6 12 1 
ATOM 5963 C CB . LEU A-6 1 12 . 59.114 19.766 7.747 1 14.18 ? CB LEU A-6 12 1 
ATOM 5964 C CG . LEU A-6 1 12 . 59.686 18.599 6.918 1 13.82 ? CG LEU A-6 12 1 
ATOM 5965 C CD1 . LEU A-6 1 12 . 59.065 17.328 7.351 1 15.22 ? CD1 LEU A-6 12 1 
ATOM 5966 C CD2 . LEU A-6 1 12 . 59.527 18.824 5.39 1 16.44 ? CD2 LEU A-6 12 1 
ATOM 5967 H H . LEU A-6 1 12 . 61.408 20.489 8.255 1 16.12 ? H LEU A-6 12 1 
ATOM 5968 H HA . LEU A-6 1 12 . 59.666 21.275 6.476 1 16.2 ? HA LEU A-6 12 1 
ATOM 5969 H HB2 . LEU A-6 1 12 . 59.274 19.565 8.682 1 17.01 ? HB2 LEU A-6 12 1 
ATOM 5970 H HB3 . LEU A-6 1 12 . 58.158 19.802 7.581 1 17.01 ? HB3 LEU A-6 12 1 
ATOM 5971 H HG . LEU A-6 1 12 . 60.635 18.532 7.101 1 16.58 ? HG LEU A-6 12 1 
ATOM 5972 H HD11 . LEU A-6 1 12 . 59.26 17.186 8.29 1 18.26 ? HD11 LEU A-6 12 1 
ATOM 5973 H HD12 . LEU A-6 1 12 . 58.106 17.384 7.216 1 18.26 ? HD12 LEU A-6 12 1 
ATOM 5974 H HD13 . LEU A-6 1 12 . 59.432 16.602 6.822 1 18.26 ? HD13 LEU A-6 12 1 
ATOM 5975 H HD21 . LEU A-6 1 12 . 59.998 19.634 5.139 1 19.72 ? HD21 LEU A-6 12 1 
ATOM 5976 H HD22 . LEU A-6 1 12 . 59.9 18.063 4.919 1 19.72 ? HD22 LEU A-6 12 1 
ATOM 5977 H HD23 . LEU A-6 1 12 . 58.583 18.911 5.181 1 19.72 ? HD23 LEU A-6 12 1 
ATOM 5978 N N . ASN A-6 1 13 . 59.16 22.52 9.35 1 13.9 ? N ASN A-6 13 1 
ATOM 5979 C CA . ASN A-6 1 13 . 58.401 23.59 9.986 1 14.79 ? CA ASN A-6 13 1 
ATOM 5980 C C . ASN A-6 1 13 . 58.677 24.944 9.394 1 14.44 ? C ASN A-6 13 1 
ATOM 5981 O O . ASN A-6 1 13 . 57.765 25.756 9.304 1 14.98 ? O ASN A-6 13 1 
ATOM 5982 C CB . ASN A-6 1 13 . 58.69 23.582 11.47 1 17.66 ? CB ASN A-6 13 1 
ATOM 5983 C CG . ASN A-6 1 13 . 57.626 24.253 12.234 1 28.36 ? CG ASN A-6 13 1 
ATOM 5984 O OD1 . ASN A-6 1 13 . 56.464 23.869 12.128 1 31.7 ? OD1 ASN A-6 13 1 
ATOM 5985 N ND2 . ASN A-6 1 13 . 58.001 25.276 13.006 1 31.96 ? ND2 ASN A-6 13 1 
ATOM 5986 H H . ASN A-6 1 13 . 59.747 22.133 9.846 1 16.68 ? H ASN A-6 13 1 
ATOM 5987 H HA . ASN A-6 1 13 . 57.456 23.408 9.871 1 17.75 ? HA ASN A-6 13 1 
ATOM 5988 H HB2 . ASN A-6 1 13 . 58.753 22.666 11.779 1 21.19 ? HB2 ASN A-6 13 1 
ATOM 5989 H HB3 . ASN A-6 1 13 . 59.524 24.05 11.636 1 21.19 ? HB3 ASN A-6 13 1 
ATOM 5990 H HD21 . ASN A-6 1 13 . 57.416 25.7 13.472 1 38.35 ? HD21 ASN A-6 13 1 
ATOM 5991 H HD22 . ASN A-6 1 13 . 58.829 25.509 13.038 1 38.35 ? HD22 ASN A-6 13 1 
ATOM 5992 N N . ALA A-6 1 14 . 59.909 25.195 8.967 1 14.72 ? N ALA A-6 14 1 
ATOM 5993 C CA . ALA A-6 1 14 . 60.225 26.457 8.339 1 15.49 ? CA ALA A-6 14 1 
ATOM 5994 C C . ALA A-6 1 14 . 59.461 26.568 7.013 1 14.26 ? C ALA A-6 14 1 
ATOM 5995 O O . ALA A-6 1 14 . 58.903 27.626 6.706 1 15.89 ? O ALA A-6 14 1 
ATOM 5996 C CB . ALA A-6 1 14 . 61.71 26.579 8.146 1 16.6 ? CB ALA A-6 14 1 
ATOM 5997 H H . ALA A-6 1 14 . 60.571 24.651 9.032 1 17.66 ? H ALA A-6 14 1 
ATOM 5998 H HA . ALA A-6 1 14 . 59.935 27.181 8.916 1 18.59 ? HA ALA A-6 14 1 
ATOM 5999 H HB1 . ALA A-6 1 14 . 62.145 26.531 9.012 1 19.93 ? HB1 ALA A-6 14 1 
ATOM 6000 H HB2 . ALA A-6 1 14 . 62.015 25.852 7.581 1 19.93 ? HB2 ALA A-6 14 1 
ATOM 6001 H HB3 . ALA A-6 1 14 . 61.903 27.43 7.724 1 19.93 ? HB3 ALA A-6 14 1 
ATOM 6002 N N . LEU A-6 1 15 . 59.434 25.499 6.23 1 14.03 ? N LEU A-6 15 1 
ATOM 6003 C CA . LEU A-6 1 15 . 58.719 25.524 4.986 1 14.69 ? CA LEU A-6 15 1 
ATOM 6004 C C . LEU A-6 1 15 . 57.259 25.762 5.212 1 14.5 ? C LEU A-6 15 1 
ATOM 6005 O O . LEU A-6 1 15 . 56.607 26.514 4.461 1 14.99 ? O LEU A-6 15 1 
ATOM 6006 C CB . LEU A-6 1 15 . 58.939 24.215 4.23 1 15.47 ? CB LEU A-6 15 1 
ATOM 6007 C CG . LEU A-6 1 15 . 60.367 24.037 3.744 1 17.7 ? CG LEU A-6 15 1 
ATOM 6008 C CD1 . LEU A-6 1 15 . 60.562 22.591 3.262 1 19.38 ? CD1 LEU A-6 15 1 
ATOM 6009 C CD2 . LEU A-6 1 15 . 60.77 25.05 2.657 1 20.36 ? CD2 LEU A-6 15 1 
ATOM 6010 H H . LEU A-6 1 15 . 59.822 24.752 6.404 1 16.84 ? H LEU A-6 15 1 
ATOM 6011 H HA . LEU A-6 1 15 . 59.06 26.249 4.438 1 17.63 ? HA LEU A-6 15 1 
ATOM 6012 H HB2 . LEU A-6 1 15 . 58.73 23.473 4.819 1 18.56 ? HB2 LEU A-6 15 1 
ATOM 6013 H HB3 . LEU A-6 1 15 . 58.355 24.197 3.456 1 18.56 ? HB3 LEU A-6 15 1 
ATOM 6014 H HG . LEU A-6 1 15 . 60.963 24.171 4.497 1 21.24 ? HG LEU A-6 15 1 
ATOM 6015 H HD11 . LEU A-6 1 15 . 61.475 22.484 2.952 1 23.26 ? HD11 LEU A-6 15 1 
ATOM 6016 H HD12 . LEU A-6 1 15 . 60.389 21.987 4 1 23.26 ? HD12 LEU A-6 15 1 
ATOM 6017 H HD13 . LEU A-6 1 15 . 59.943 22.415 2.536 1 23.26 ? HD13 LEU A-6 15 1 
ATOM 6018 H HD21 . LEU A-6 1 15 . 61.688 24.881 2.393 1 24.43 ? HD21 LEU A-6 15 1 
ATOM 6019 H HD22 . LEU A-6 1 15 . 60.181 24.945 1.894 1 24.43 ? HD22 LEU A-6 15 1 
ATOM 6020 H HD23 . LEU A-6 1 15 . 60.689 25.948 3.017 1 24.43 ? HD23 LEU A-6 15 1 
ATOM 6021 N N . ARG A-6 1 16 . 56.684 25.106 6.207 1 13.56 ? N ARG A-6 16 1 
ATOM 6022 C CA . ARG A-6 1 16 . 55.27 25.269 6.531 1 14 ? CA ARG A-6 16 1 
ATOM 6023 C C . ARG A-6 1 16 . 55.007 26.683 6.993 1 14.32 ? C ARG A-6 16 1 
ATOM 6024 O O . ARG A-6 1 16 . 54.079 27.351 6.492 1 16.03 ? O ARG A-6 16 1 
ATOM 6025 C CB . ARG A-6 1 16 . 54.924 24.282 7.656 1 14.94 ? CB ARG A-6 16 1 
ATOM 6026 C CG . ARG A-6 1 16 . 53.498 24.371 8.068 1 17.06 ? CG ARG A-6 16 1 
ATOM 6027 C CD . ARG A-6 1 16 . 53.219 23.585 9.348 1 20.14 ? CD ARG A-6 16 1 
ATOM 6028 N NE . ARG A-6 1 16 . 53.941 24.191 10.476 1 27.12 ? NE ARG A-6 16 1 
ATOM 6029 C CZ . ARG A-6 1 16 . 53.615 25.35 11.039 1 37.34 ? CZ ARG A-6 16 1 
ATOM 6030 N NH1 . ARG A-6 1 16 . 52.519 26.01 10.642 1 39.8 ? NH1 ARG A-6 16 1 
ATOM 6031 N NH2 . ARG A-6 1 16 . 54.349 25.836 12.033 1 40.18 ? NH2 ARG A-6 16 1 
ATOM 6032 H H . ARG A-6 1 16 . 57.096 24.551 6.719 1 16.27 ? H ARG A-6 16 1 
ATOM 6033 H HA . ARG A-6 1 16 . 54.722 25.077 5.755 1 16.8 ? HA ARG A-6 16 1 
ATOM 6034 H HB2 . ARG A-6 1 16 . 55.093 23.378 7.347 1 17.92 ? HB2 ARG A-6 16 1 
ATOM 6035 H HB3 . ARG A-6 1 16 . 55.475 24.477 8.43 1 17.92 ? HB3 ARG A-6 16 1 
ATOM 6036 H HG2 . ARG A-6 1 16 . 53.271 25.3 8.228 1 20.47 ? HG2 ARG A-6 16 1 
ATOM 6037 H HG3 . ARG A-6 1 16 . 52.939 24.008 7.363 1 20.47 ? HG3 ARG A-6 16 1 
ATOM 6038 H HD2 . ARG A-6 1 16 . 52.269 23.607 9.542 1 24.17 ? HD2 ARG A-6 16 1 
ATOM 6039 H HD3 . ARG A-6 1 16 . 53.526 22.672 9.241 1 24.17 ? HD3 ARG A-6 16 1 
ATOM 6040 H HE . ARG A-6 1 16 . 54.62 23.769 10.792 1 32.55 ? HE ARG A-6 16 1 
ATOM 6041 H HH11 . ARG A-6 1 16 . 52.043 25.704 9.994 1 47.76 ? HH11 ARG A-6 16 1 
ATOM 6042 H HH12 . ARG A-6 1 16 . 52.305 26.754 11.018 1 47.76 ? HH12 ARG A-6 16 1 
ATOM 6043 H HH21 . ARG A-6 1 16 . 55.044 25.408 12.303 1 48.21 ? HH21 ARG A-6 16 1 
ATOM 6044 H HH22 . ARG A-6 1 16 . 54.122 26.573 12.415 1 48.21 ? HH22 ARG A-6 16 1 
ATOM 6045 N N . ARG A-6 1 17 . 55.763 27.19 7.965 1 15.46 ? N ARG A-6 17 1 
ATOM 6046 C CA . ARG A-6 1 17 . 55.525 28.49 8.539 1 18.16 ? CA ARG A-6 17 1 
ATOM 6047 C C . ARG A-6 1 17 . 55.65 29.594 7.479 1 18.03 ? C ARG A-6 17 1 
ATOM 6048 O O . ARG A-6 1 17 . 54.856 30.542 7.429 1 19.82 ? O ARG A-6 17 1 
ATOM 6049 C CB . ARG A-6 1 17 . 56.555 28.719 9.65 1 22.42 ? CB ARG A-6 17 1 
ATOM 6050 C CG . ARG A-6 1 17 . 56.521 30.094 10.307 1 31.87 ? CG ARG A-6 17 1 
ATOM 6051 C CD . ARG A-6 1 17 . 57.721 30.276 11.237 1 40.81 ? CD ARG A-6 17 1 
ATOM 6052 N NE . ARG A-6 1 17 . 58.979 30.406 10.501 1 50.12 ? NE ARG A-6 17 1 
ATOM 6053 C CZ . ARG A-6 1 17 . 60.025 29.581 10.617 1 55.05 ? CZ ARG A-6 17 1 
ATOM 6054 N NH1 . ARG A-6 1 17 . 60.004 28.546 11.462 1 53.28 ? NH1 ARG A-6 17 1 
ATOM 6055 N NH2 . ARG A-6 1 17 . 61.116 29.798 9.883 1 58.26 ? NH2 ARG A-6 17 1 
ATOM 6056 H H . ARG A-6 1 17 . 56.437 26.782 8.31 1 18.56 ? H ARG A-6 17 1 
ATOM 6057 H HA . ARG A-6 1 17 . 54.634 28.523 8.923 1 21.79 ? HA ARG A-6 17 1 
ATOM 6058 H HB2 . ARG A-6 1 17 . 56.405 28.061 10.347 1 26.91 ? HB2 ARG A-6 17 1 
ATOM 6059 H HB3 . ARG A-6 1 17 . 57.441 28.598 9.275 1 26.91 ? HB3 ARG A-6 17 1 
ATOM 6060 H HG2 . ARG A-6 1 17 . 56.558 30.78 9.622 1 38.25 ? HG2 ARG A-6 17 1 
ATOM 6061 H HG3 . ARG A-6 1 17 . 55.71 30.181 10.831 1 38.25 ? HG3 ARG A-6 17 1 
ATOM 6062 H HD2 . ARG A-6 1 17 . 57.595 31.082 11.763 1 48.97 ? HD2 ARG A-6 17 1 
ATOM 6063 H HD3 . ARG A-6 1 17 . 57.791 29.505 11.82 1 48.97 ? HD3 ARG A-6 17 1 
ATOM 6064 H HE . ARG A-6 1 17 . 59.052 31.064 9.951 1 60.14 ? HE ARG A-6 17 1 
ATOM 6065 H HH11 . ARG A-6 1 17 . 59.304 28.394 11.939 1 63.94 ? HH11 ARG A-6 17 1 
ATOM 6066 H HH12 . ARG A-6 1 17 . 60.687 28.027 11.524 1 63.94 ? HH12 ARG A-6 17 1 
ATOM 6067 H HH21 . ARG A-6 1 17 . 61.142 30.464 9.339 1 69.91 ? HH21 ARG A-6 17 1 
ATOM 6068 H HH22 . ARG A-6 1 17 . 61.795 29.276 9.957 1 69.91 ? HH22 ARG A-6 17 1 
ATOM 6069 N N . GLU A-6 1 18 . 56.655 29.482 6.633 1 17.94 ? N GLU A-6 18 1 
ATOM 6070 C CA . GLU A-6 1 18 . 56.902 30.513 5.617 1 21.59 ? CA GLU A-6 18 1 
ATOM 6071 C C . GLU A-6 1 18 . 56.081 30.364 4.33 1 30.17 ? C GLU A-6 18 1 
ATOM 6072 O O . GLU A-6 1 18 . 56.117 31.227 3.423 1 21.22 ? O GLU A-6 18 1 
ATOM 6073 C CB . GLU A-6 1 18 . 58.416 30.609 5.318 1 26.66 ? CB GLU A-6 18 1 
ATOM 6074 C CG . GLU A-6 1 18 . 59.278 30.859 6.601 1 31.03 ? CG GLU A-6 18 1 
ATOM 6075 C CD . GLU A-6 1 18 . 60.396 31.867 6.443 1 34.78 ? CD GLU A-6 18 1 
ATOM 6076 O OE1 . GLU A-6 1 18 . 61.009 32.195 7.475 0.28 34.49 ? OE1 GLU A-6 18 1 
ATOM 6077 O OE2 . GLU A-6 1 18 . 60.672 32.312 5.313 0.52 37.51 ? OE2 GLU A-6 18 1 
ATOM 6078 H H . GLU A-6 1 18 . 57.212 28.827 6.617 1 21.53 ? H GLU A-6 18 1 
ATOM 6079 H HA . GLU A-6 1 18 . 56.645 31.365 6.004 1 25.9 ? HA GLU A-6 18 1 
ATOM 6080 H HB2 . GLU A-6 1 18 . 58.71 29.777 4.916 1 32 ? HB2 GLU A-6 18 1 
ATOM 6081 H HB3 . GLU A-6 1 18 . 58.57 31.346 4.706 1 32 ? HB3 GLU A-6 18 1 
ATOM 6082 H HG2 . GLU A-6 1 18 . 58.695 31.179 7.306 1 37.23 ? HG2 GLU A-6 18 1 
ATOM 6083 H HG3 . GLU A-6 1 18 . 59.68 30.017 6.869 1 37.23 ? HG3 GLU A-6 18 1 
ATOM 6084 N N . ARG A-6 1 19 . 55.328 29.261 4.285 1 53.47 ? N ARG A-6 19 1 
ATOM 6085 C CA . ARG A-6 1 19 . 54.417 28.975 3.183 1 57.88 ? CA ARG A-6 19 1 
ATOM 6086 C C . ARG A-6 1 19 . 55.158 28.938 1.859 1 20.77 ? C ARG A-6 19 1 
ATOM 6087 O O . ARG A-6 1 19 . 54.631 29.274 0.805 1 17.23 ? O ARG A-6 19 1 
ATOM 6088 C CB . ARG A-6 1 19 . 53.282 29.985 3.159 1 42.32 ? CB ARG A-6 19 1 
ATOM 6089 C CG . ARG A-6 1 19 . 52.48 29.975 4.453 1 28.97 ? CG ARG A-6 19 1 
ATOM 6090 C CD . ARG A-6 1 19 . 51.422 31.038 4.447 1 28.43 ? CD ARG A-6 19 1 
ATOM 6091 N NE . ARG A-6 1 19 . 50.703 31.062 5.72 1 31.43 ? NE ARG A-6 19 1 
ATOM 6092 C CZ . ARG A-6 1 19 . 49.387 30.888 5.839 1 36.91 ? CZ ARG A-6 19 1 
ATOM 6093 N NH1 . ARG A-6 1 19 . 48.642 30.656 4.766 1 38.29 ? NH1 ARG A-6 19 1 
ATOM 6094 N NH2 . ARG A-6 1 19 . 48.828 30.946 7.034 1 38.48 ? NH2 ARG A-6 19 1 
ATOM 6095 H H . ARG A-6 1 19 . 55.33 28.655 4.895 1 64.16 ? H ARG A-6 19 1 
ATOM 6096 H HA . ARG A-6 1 19 . 54.027 28.099 3.325 1 69.45 ? HA ARG A-6 19 1 
ATOM 6097 H HB2 . ARG A-6 1 19 . 53.649 30.875 3.038 1 50.78 ? HB2 ARG A-6 19 1 
ATOM 6098 H HB3 . ARG A-6 1 19 . 52.68 29.771 2.429 1 50.78 ? HB3 ARG A-6 19 1 
ATOM 6099 H HG2 . ARG A-6 1 19 . 52.045 29.114 4.554 1 34.77 ? HG2 ARG A-6 19 1 
ATOM 6100 H HG3 . ARG A-6 1 19 . 53.075 30.142 5.2 1 34.77 ? HG3 ARG A-6 19 1 
ATOM 6101 H HD2 . ARG A-6 1 19 . 51.836 31.905 4.313 1 34.11 ? HD2 ARG A-6 19 1 
ATOM 6102 H HD3 . ARG A-6 1 19 . 50.785 30.855 3.739 1 34.11 ? HD3 ARG A-6 19 1 
ATOM 6103 H HE . ARG A-6 1 19 . 51.152 31.237 6.432 1 37.71 ? HE ARG A-6 19 1 
ATOM 6104 H HH11 . ARG A-6 1 19 . 49.006 30.624 3.988 1 45.94 ? HH11 ARG A-6 19 1 
ATOM 6105 H HH12 . ARG A-6 1 19 . 47.793 30.542 4.848 1 45.94 ? HH12 ARG A-6 19 1 
ATOM 6106 H HH21 . ARG A-6 1 19 . 49.314 31.091 7.728 1 46.18 ? HH21 ARG A-6 19 1 
ATOM 6107 H HH22 . ARG A-6 1 19 . 47.981 30.826 7.119 1 46.18 ? HH22 ARG A-6 19 1 
ATOM 6108 N N . VAL A-6 1 20 . 56.373 28.367 1.918 1 16.45 ? N VAL A-6 20 1 
ATOM 6109 C CA . VAL A-6 1 20 . 57.225 28.347 0.757 1 16.99 ? CA VAL A-6 20 1 
ATOM 6110 C C . VAL A-6 1 20 . 56.753 27.263 -0.224 1 15.76 ? C VAL A-6 20 1 
ATOM 6111 O O . VAL A-6 1 20 . 56.612 26.11 0.174 1 17.74 ? O VAL A-6 20 1 
ATOM 6112 C CB . VAL A-6 1 20 . 58.682 28.069 1.196 1 20.14 ? CB VAL A-6 20 1 
ATOM 6113 C CG1 . VAL A-6 1 20 . 59.609 27.957 0.02 1 20.23 ? CG1 VAL A-6 20 1 
ATOM 6114 C CG2 . VAL A-6 1 20 . 59.117 29.134 2.151 1 24.49 ? CG2 VAL A-6 20 1 
ATOM 6115 H H . VAL A-6 1 20 . 56.708 27.993 2.616 1 19.73 ? H VAL A-6 20 1 
ATOM 6116 H HA . VAL A-6 1 20 . 57.192 29.207 0.31 1 20.39 ? HA VAL A-6 20 1 
ATOM 6117 H HB . VAL A-6 1 20 . 58.707 27.224 1.67 1 24.16 ? HB VAL A-6 20 1 
ATOM 6118 H HG11 . VAL A-6 1 20 . 60.508 27.783 0.342 1 24.27 ? HG11 VAL A-6 20 1 
ATOM 6119 H HG12 . VAL A-6 1 20 . 59.313 27.226 -0.545 1 24.27 ? HG12 VAL A-6 20 1 
ATOM 6120 H HG13 . VAL A-6 1 20 . 59.591 28.789 -0.477 1 24.27 ? HG13 VAL A-6 20 1 
ATOM 6121 H HG21 . VAL A-6 1 20 . 60.031 28.958 2.425 1 29.39 ? HG21 VAL A-6 20 1 
ATOM 6122 H HG22 . VAL A-6 1 20 . 59.064 29.996 1.708 1 29.39 ? HG22 VAL A-6 20 1 
ATOM 6123 H HG23 . VAL A-6 1 20 . 58.531 29.122 2.924 1 29.39 ? HG23 VAL A-6 20 1 
ATOM 6124 N N . PRO A-6 1 21 . 56.553 27.576 -1.494 1 15.57 ? N PRO A-6 21 1 
ATOM 6125 C CA . PRO A-6 1 21 . 56.257 26.504 -2.465 1 15.95 ? CA PRO A-6 21 1 
ATOM 6126 C C . PRO A-6 1 21 . 57.388 25.499 -2.486 1 14.66 ? C PRO A-6 21 1 
ATOM 6127 O O . PRO A-6 1 21 . 58.573 25.912 -2.457 1 15.54 ? O PRO A-6 21 1 
ATOM 6128 C CB . PRO A-6 1 21 . 56.105 27.237 -3.797 1 18.43 ? CB PRO A-6 21 1 
ATOM 6129 C CG . PRO A-6 1 21 . 55.665 28.636 -3.38 1 20.03 ? CG PRO A-6 21 1 
ATOM 6130 C CD . PRO A-6 1 21 . 56.489 28.905 -2.109 1 17.26 ? CD PRO A-6 21 1 
ATOM 6131 H HA . PRO A-6 1 21 . 55.426 26.058 -2.24 1 19.14 ? HA PRO A-6 21 1 
ATOM 6132 H HB2 . PRO A-6 1 21 . 56.956 27.263 -4.26 1 22.11 ? HB2 PRO A-6 21 1 
ATOM 6133 H HB3 . PRO A-6 1 21 . 55.425 26.805 -4.337 1 22.11 ? HB3 PRO A-6 21 1 
ATOM 6134 H HG2 . PRO A-6 1 21 . 55.882 29.274 -4.078 1 24.03 ? HG2 PRO A-6 21 1 
ATOM 6135 H HG3 . PRO A-6 1 21 . 54.715 28.641 -3.186 1 24.03 ? HG3 PRO A-6 21 1 
ATOM 6136 H HD2 . PRO A-6 1 21 . 57.378 29.218 -2.338 1 20.71 ? HD2 PRO A-6 21 1 
ATOM 6137 H HD3 . PRO A-6 1 21 . 56.027 29.528 -1.527 1 20.71 ? HD3 PRO A-6 21 1 
ATOM 6138 N N . VAL A-6 1 22 . 57.07 24.216 -2.504 1 13.99 ? N VAL A-6 22 1 
ATOM 6139 C CA . VAL A-6 1 22 . 58.074 23.183 -2.537 1 13.76 ? CA VAL A-6 22 1 
ATOM 6140 C C . VAL A-6 1 22 . 57.749 22.199 -3.624 1 13.13 ? C VAL A-6 22 1 
ATOM 6141 O O . VAL A-6 1 22 . 56.603 22.072 -4.088 1 14.6 ? O VAL A-6 22 1 
ATOM 6142 C CB . VAL A-6 1 22 . 58.153 22.378 -1.209 1 15.29 ? CB VAL A-6 22 1 
ATOM 6143 C CG1 . VAL A-6 1 22 . 58.512 23.266 -0.034 1 17.78 ? CG1 VAL A-6 22 1 
ATOM 6144 C CG2 . VAL A-6 1 22 . 56.859 21.606 -0.899 1 17.03 ? CG2 VAL A-6 22 1 
ATOM 6145 H H . VAL A-6 1 22 . 56.264 23.918 -2.497 1 16.79 ? H VAL A-6 22 1 
ATOM 6146 H HA . VAL A-6 1 22 . 58.943 23.574 -2.718 1 16.51 ? HA VAL A-6 22 1 
ATOM 6147 H HB . VAL A-6 1 22 . 58.861 21.721 -1.297 1 18.35 ? HB VAL A-6 22 1 
ATOM 6148 H HG11 . VAL A-6 1 22 . 58.624 24.177 -0.35 1 21.33 ? HG11 VAL A-6 22 1 
ATOM 6149 H HG12 . VAL A-6 1 22 . 57.797 23.228 0.62 1 21.33 ? HG12 VAL A-6 22 1 
ATOM 6150 H HG13 . VAL A-6 1 22 . 59.339 22.949 0.36 1 21.33 ? HG13 VAL A-6 22 1 
ATOM 6151 H HG21 . VAL A-6 1 22 . 56.216 21.768 -1.607 1 20.44 ? HG21 VAL A-6 22 1 
ATOM 6152 H HG22 . VAL A-6 1 22 . 57.061 20.659 -0.846 1 20.44 ? HG22 VAL A-6 22 1 
ATOM 6153 H HG23 . VAL A-6 1 22 . 56.503 21.916 -0.051 1 20.44 ? HG23 VAL A-6 22 1 
ATOM 6154 N N . SER A-6 1 23 . 58.797 21.479 -4.005 1 13.27 ? N SER A-6 23 1 
ATOM 6155 C CA . SER A-6 1 23 . 58.673 20.295 -4.839 1 13.78 ? CA SER A-6 23 1 
ATOM 6156 C C . SER A-6 1 23 . 59 19.091 -3.956 1 12.9 ? C SER A-6 23 1 
ATOM 6157 O O . SER A-6 1 23 . 60.014 19.08 -3.271 1 14.64 ? O SER A-6 23 1 
ATOM 6158 C CB . SER A-6 1 23 . 59.616 20.364 -6.025 1 15.99 ? CB SER A-6 23 1 
ATOM 6159 O OG . SER A-6 1 23 . 59.281 21.46 -6.852 1 18.21 ? OG SER A-6 23 1 
ATOM 6160 H H . SER A-6 1 23 . 59.608 21.663 -3.788 1 15.93 ? H SER A-6 23 1 
ATOM 6161 H HA . SER A-6 1 23 . 57.763 20.211 -5.164 1 16.53 ? HA SER A-6 23 1 
ATOM 6162 H HB2 . SER A-6 1 23 . 60.524 20.475 -5.702 1 19.18 ? HB2 SER A-6 23 1 
ATOM 6163 H HB3 . SER A-6 1 23 . 59.542 19.544 -6.538 1 19.18 ? HB3 SER A-6 23 1 
ATOM 6164 H HG . SER A-6 1 23 . 59.805 21.495 -7.507 1 21.85 ? HG SER A-6 23 1 
ATOM 6165 N N . ILE A-6 1 24 . 58.138 18.099 -3.989 1 12.81 ? N ILE A-6 24 1 
ATOM 6166 C CA . ILE A-6 1 24 . 58.357 16.826 -3.286 1 12.89 ? CA ILE A-6 24 1 
ATOM 6167 C C . ILE A-6 1 24 . 58.527 15.775 -4.359 1 12.51 ? C ILE A-6 24 1 
ATOM 6168 O O . ILE A-6 1 24 . 57.599 15.479 -5.111 1 14.21 ? O ILE A-6 24 1 
ATOM 6169 C CB . ILE A-6 1 24 . 57.215 16.513 -2.335 1 12.76 ? CB ILE A-6 24 1 
ATOM 6170 C CG1 . ILE A-6 1 24 . 57.087 17.589 -1.261 1 15.24 ? CG1 ILE A-6 24 1 
ATOM 6171 C CG2 . ILE A-6 1 24 . 57.427 15.137 -1.71 1 14.36 ? CG2 ILE A-6 24 1 
ATOM 6172 C CD1 . ILE A-6 1 24 . 56.096 17.299 -0.159 1 16.6 ? CD1 ILE A-6 24 1 
ATOM 6173 H H . ILE A-6 1 24 . 57.395 18.127 -4.421 1 15.37 ? H ILE A-6 24 1 
ATOM 6174 H HA . ILE A-6 1 24 . 59.178 16.877 -2.772 1 15.47 ? HA ILE A-6 24 1 
ATOM 6175 H HB . ILE A-6 1 24 . 56.39 16.493 -2.846 1 15.31 ? HB ILE A-6 24 1 
ATOM 6176 H HG12 . ILE A-6 1 24 . 57.955 17.712 -0.846 1 18.28 ? HG12 ILE A-6 24 1 
ATOM 6177 H HG13 . ILE A-6 1 24 . 56.813 18.417 -1.687 1 18.28 ? HG13 ILE A-6 24 1 
ATOM 6178 H HG21 . ILE A-6 1 24 . 58.266 15.139 -1.221 1 17.23 ? HG21 ILE A-6 24 1 
ATOM 6179 H HG22 . ILE A-6 1 24 . 56.692 14.95 -1.105 1 17.23 ? HG22 ILE A-6 24 1 
ATOM 6180 H HG23 . ILE A-6 1 24 . 57.455 14.471 -2.414 1 17.23 ? HG23 ILE A-6 24 1 
ATOM 6181 H HD11 . ILE A-6 1 24 . 56.36 16.483 0.295 1 19.92 ? HD11 ILE A-6 24 1 
ATOM 6182 H HD12 . ILE A-6 1 24 . 56.093 18.04 0.466 1 19.92 ? HD12 ILE A-6 24 1 
ATOM 6183 H HD13 . ILE A-6 1 24 . 55.214 17.19 -0.549 1 19.92 ? HD13 ILE A-6 24 1 
ATOM 6184 N N . TYR A-6 1 25 . 59.728 15.213 -4.432 1 12.6 ? N TYR A-6 25 1 
ATOM 6185 C CA . TYR A-6 1 25 . 60.031 14.172 -5.394 1 12.9 ? CA TYR A-6 25 1 
ATOM 6186 C C . TYR A-6 1 25 . 59.834 12.832 -4.744 1 12.27 ? C TYR A-6 25 1 
ATOM 6187 O O . TYR A-6 1 25 . 60.352 12.593 -3.661 1 16.16 ? O TYR A-6 25 1 
ATOM 6188 C CB . TYR A-6 1 25 . 61.461 14.318 -5.881 1 14.57 ? CB TYR A-6 25 1 
ATOM 6189 C CG . TYR A-6 1 25 . 61.669 15.597 -6.644 1 16.38 ? CG TYR A-6 25 1 
ATOM 6190 C CD1 . TYR A-6 1 25 . 61.697 15.571 -8.029 1 22.07 ? CD1 TYR A-6 25 1 
ATOM 6191 C CD2 . TYR A-6 1 25 . 61.977 16.783 -6.026 1 15.8 ? CD2 TYR A-6 25 1 
ATOM 6192 C CE1 . TYR A-6 1 25 . 61.907 16.73 -8.772 1 22.61 ? CE1 TYR A-6 25 1 
ATOM 6193 C CE2 . TYR A-6 1 25 . 62.15 17.982 -6.759 1 18.33 ? CE2 TYR A-6 25 1 
ATOM 6194 C CZ . TYR A-6 1 25 . 62.091 17.937 -8.112 1 20.73 ? CZ TYR A-6 25 1 
ATOM 6195 O OH . TYR A-6 1 25 . 62.28 19.08 -8.869 1 24.78 ? OH TYR A-6 25 1 
ATOM 6196 H H . TYR A-6 1 25 . 60.391 15.423 -3.926 1 15.12 ? H TYR A-6 25 1 
ATOM 6197 H HA . TYR A-6 1 25 . 59.434 14.242 -6.154 1 15.49 ? HA TYR A-6 25 1 
ATOM 6198 H HB2 . TYR A-6 1 25 . 62.059 14.32 -5.118 1 17.49 ? HB2 TYR A-6 25 1 
ATOM 6199 H HB3 . TYR A-6 1 25 . 61.673 13.577 -6.47 1 17.49 ? HB3 TYR A-6 25 1 
ATOM 6200 H HD1 . TYR A-6 1 25 . 61.519 14.774 -8.472 1 26.48 ? HD1 TYR A-6 25 1 
ATOM 6201 H HD2 . TYR A-6 1 25 . 61.959 16.823 -5.097 1 18.97 ? HD2 TYR A-6 25 1 
ATOM 6202 H HE1 . TYR A-6 1 25 . 61.86 16.705 -9.701 1 27.13 ? HE1 TYR A-6 25 1 
ATOM 6203 H HE2 . TYR A-6 1 25 . 62.304 18.787 -6.319 1 21.99 ? HE2 TYR A-6 25 1 
ATOM 6204 H HH . TYR A-6 1 25 . 62.259 18.889 -9.687 1 29.74 ? HH TYR A-6 25 1 
ATOM 6205 N N . LEU A-6 1 26 . 59.07 11.971 -5.357 1 12.73 ? N LEU A-6 26 1 
ATOM 6206 C CA . LEU A-6 1 26 . 58.797 10.641 -4.852 1 12.91 ? CA LEU A-6 26 1 
ATOM 6207 C C . LEU A-6 1 26 . 59.785 9.646 -5.375 1 12.93 ? C LEU A-6 26 1 
ATOM 6208 O O . LEU A-6 1 26 . 60.417 9.819 -6.435 1 14.71 ? O LEU A-6 26 1 
ATOM 6209 C CB . LEU A-6 1 26 . 57.38 10.222 -5.205 1 13.45 ? CB LEU A-6 26 1 
ATOM 6210 C CG . LEU A-6 1 26 . 56.272 11.16 -4.815 1 14.26 ? CG LEU A-6 26 1 
ATOM 6211 C CD1 . LEU A-6 1 26 . 54.92 10.568 -5.122 1 17.71 ? CD1 LEU A-6 26 1 
ATOM 6212 C CD2 . LEU A-6 1 26 . 56.392 11.533 -3.286 1 16.44 ? CD2 LEU A-6 26 1 
ATOM 6213 H H . LEU A-6 1 26 . 58.678 12.135 -6.104 1 15.27 ? H LEU A-6 26 1 
ATOM 6214 H HA . LEU A-6 1 26 . 58.87 10.652 -3.885 1 15.49 ? HA LEU A-6 26 1 
ATOM 6215 H HB2 . LEU A-6 1 26 . 57.331 10.107 -6.167 1 16.13 ? HB2 LEU A-6 26 1 
ATOM 6216 H HB3 . LEU A-6 1 26 . 57.201 9.373 -4.773 1 16.13 ? HB3 LEU A-6 26 1 
ATOM 6217 H HG . LEU A-6 1 26 . 56.36 11.979 -5.328 1 17.11 ? HG LEU A-6 26 1 
ATOM 6218 H HD11 . LEU A-6 1 26 . 54.818 9.741 -4.627 1 21.26 ? HD11 LEU A-6 26 1 
ATOM 6219 H HD12 . LEU A-6 1 26 . 54.232 11.198 -4.858 1 21.26 ? HD12 LEU A-6 26 1 
ATOM 6220 H HD13 . LEU A-6 1 26 . 54.861 10.393 -6.075 1 21.26 ? HD13 LEU A-6 26 1 
ATOM 6221 H HD21 . LEU A-6 1 26 . 56.329 10.723 -2.758 1 19.73 ? HD21 LEU A-6 26 1 
ATOM 6222 H HD22 . LEU A-6 1 26 . 57.248 11.964 -3.132 1 19.73 ? HD22 LEU A-6 26 1 
ATOM 6223 H HD23 . LEU A-6 1 26 . 55.67 12.138 -3.052 1 19.73 ? HD23 LEU A-6 26 1 
ATOM 6224 N N . VAL A-6 1 27 . 59.938 8.563 -4.645 1 13.67 ? N VAL A-6 27 1 
ATOM 6225 C CA . VAL A-6 1 27 . 60.888 7.521 -5.023 1 14.61 ? CA VAL A-6 27 1 
ATOM 6226 C C . VAL A-6 1 27 . 60.541 6.93 -6.412 1 15.34 ? C VAL A-6 27 1 
ATOM 6227 O O . VAL A-6 1 27 . 61.394 6.552 -7.16 1 20.22 ? O VAL A-6 27 1 
ATOM 6228 C CB . VAL A-6 1 27 . 60.99 6.443 -3.943 1 15.92 ? CB VAL A-6 27 1 
ATOM 6229 C CG1 . VAL A-6 1 27 . 61.585 7.028 -2.67 1 17.55 ? CG1 VAL A-6 27 1 
ATOM 6230 C CG2 . VAL A-6 1 27 . 59.656 5.749 -3.654 1 20.58 ? CG2 VAL A-6 27 1 
ATOM 6231 H H . VAL A-6 1 27 . 59.505 8.4 -3.92 1 16.41 ? H VAL A-6 27 1 
ATOM 6232 H HA . VAL A-6 1 27 . 61.765 7.928 -5.1 1 17.53 ? HA VAL A-6 27 1 
ATOM 6233 H HB . VAL A-6 1 27 . 61.602 5.761 -4.257 1 19.11 ? HB VAL A-6 27 1 
ATOM 6234 H HG11 . VAL A-6 1 27 . 61.641 6.331 -1.998 1 21.06 ? HG11 VAL A-6 27 1 
ATOM 6235 H HG12 . VAL A-6 1 27 . 62.47 7.372 -2.865 1 21.06 ? HG12 VAL A-6 27 1 
ATOM 6236 H HG13 . VAL A-6 1 27 . 61.013 7.746 -2.355 1 21.06 ? HG13 VAL A-6 27 1 
ATOM 6237 H HG21 . VAL A-6 1 27 . 59.791 5.083 -2.963 1 24.7 ? HG21 VAL A-6 27 1 
ATOM 6238 H HG22 . VAL A-6 1 27 . 59.015 6.413 -3.353 1 24.7 ? HG22 VAL A-6 27 1 
ATOM 6239 H HG23 . VAL A-6 1 27 . 59.338 5.327 -4.467 1 24.7 ? HG23 VAL A-6 27 1 
ATOM 6240 N N . ASN A-6 1 28 . 59.305 6.963 -6.799 1 14.21 ? N ASN A-6 28 1 
ATOM 6241 C CA . ASN A-6 1 28 . 58.892 6.427 -8.115 1 15.41 ? CA ASN A-6 28 1 
ATOM 6242 C C . ASN A-6 1 28 . 59.01 7.425 -9.263 1 16.03 ? C ASN A-6 28 1 
ATOM 6243 O O . ASN A-6 1 28 . 58.637 7.075 -10.38 1 17.78 ? O ASN A-6 28 1 
ATOM 6244 C CB . ASN A-6 1 28 . 57.506 5.898 -8.047 1 16.33 ? CB ASN A-6 28 1 
ATOM 6245 C CG . ASN A-6 1 28 . 56.457 6.979 -7.78 1 16.79 ? CG ASN A-6 28 1 
ATOM 6246 O OD1 . ASN A-6 1 28 . 56.724 8.186 -7.871 1 16.82 ? OD1 ASN A-6 28 1 
ATOM 6247 N ND2 . ASN A-6 1 28 . 55.229 6.542 -7.442 1 18.73 ? ND2 ASN A-6 28 1 
ATOM 6248 H H . ASN A-6 1 28 . 58.659 7.288 -6.334 1 17.05 ? H ASN A-6 28 1 
ATOM 6249 H HA . ASN A-6 1 28 . 59.472 5.68 -8.328 1 18.49 ? HA ASN A-6 28 1 
ATOM 6250 H HB2 . ASN A-6 1 28 . 57.29 5.475 -8.892 1 19.6 ? HB2 ASN A-6 28 1 
ATOM 6251 H HB3 . ASN A-6 1 28 . 57.454 5.247 -7.329 1 19.6 ? HB3 ASN A-6 28 1 
ATOM 6252 H HD21 . ASN A-6 1 28 . 54.6 7.107 -7.281 1 22.47 ? HD21 ASN A-6 28 1 
ATOM 6253 H HD22 . ASN A-6 1 28 . 55.072 5.698 -7.387 1 22.47 ? HD22 ASN A-6 28 1 
ATOM 6254 N N . GLY A-6 1 29 . 59.584 8.584 -8.993 1 16.16 ? N GLY A-6 29 1 
ATOM 6255 C CA . GLY A-6 1 29 . 59.901 9.536 -10.019 1 18.2 ? CA GLY A-6 29 1 
ATOM 6256 C C . GLY A-6 1 29 . 58.896 10.627 -10.205 1 18.41 ? C GLY A-6 29 1 
ATOM 6257 O O . GLY A-6 1 29 . 59.177 11.546 -10.933 1 22.58 ? O GLY A-6 29 1 
ATOM 6258 H H . GLY A-6 1 29 . 59.8 8.841 -8.202 1 19.39 ? H GLY A-6 29 1 
ATOM 6259 H HA2 . GLY A-6 1 29 . 60.753 9.95 -9.81 1 21.84 ? HA2 GLY A-6 29 1 
ATOM 6260 H HA3 . GLY A-6 1 29 . 59.994 9.069 -10.863 1 21.84 ? HA3 GLY A-6 29 1 
ATOM 6261 N N . ILE A-6 1 30 . 57.748 10.551 -9.545 1 16.66 ? N ILE A-6 30 1 
ATOM 6262 C CA . ILE A-6 1 30 . 56.773 11.614 -9.634 1 16.63 ? CA ILE A-6 30 1 
ATOM 6263 C C . ILE A-6 1 30 . 57.217 12.806 -8.863 1 15.78 ? C ILE A-6 30 1 
ATOM 6264 O O . ILE A-6 1 30 . 57.756 12.694 -7.776 1 17.66 ? O ILE A-6 30 1 
ATOM 6265 C CB . ILE A-6 1 30 . 55.454 11.107 -9.125 1 17.79 ? CB ILE A-6 30 1 
ATOM 6266 C CG1 . ILE A-6 1 30 . 54.935 9.999 -10.066 1 21.3 ? CG1 ILE A-6 30 1 
ATOM 6267 C CG2 . ILE A-6 1 30 . 54.442 12.22 -8.916 1 21.12 ? CG2 ILE A-6 30 1 
ATOM 6268 C CD1 . ILE A-6 1 30 . 53.65 9.329 -9.633 1 24.57 ? CD1 ILE A-6 30 1 
ATOM 6269 H H . ILE A-6 1 30 . 57.514 9.894 -9.041 1 19.99 ? H ILE A-6 30 1 
ATOM 6270 H HA . ILE A-6 1 30 . 56.664 11.875 -10.562 1 19.96 ? HA ILE A-6 30 1 
ATOM 6271 H HB . ILE A-6 1 30 . 55.616 10.7 -8.26 1 21.34 ? HB ILE A-6 30 1 
ATOM 6272 H HG12 . ILE A-6 1 30 . 54.782 10.387 -10.942 1 25.56 ? HG12 ILE A-6 30 1 
ATOM 6273 H HG13 . ILE A-6 1 30 . 55.615 9.31 -10.132 1 25.56 ? HG13 ILE A-6 30 1 
ATOM 6274 H HG21 . ILE A-6 1 30 . 54.287 12.669 -9.762 1 25.34 ? HG21 ILE A-6 30 1 
ATOM 6275 H HG22 . ILE A-6 1 30 . 53.614 11.836 -8.588 1 25.34 ? HG22 ILE A-6 30 1 
ATOM 6276 H HG23 . ILE A-6 1 30 . 54.794 12.849 -8.267 1 25.34 ? HG23 ILE A-6 30 1 
ATOM 6277 H HD11 . ILE A-6 1 30 . 53.786 8.918 -8.765 1 29.49 ? HD11 ILE A-6 30 1 
ATOM 6278 H HD12 . ILE A-6 1 30 . 52.95 9.998 -9.577 1 29.49 ? HD12 ILE A-6 30 1 
ATOM 6279 H HD13 . ILE A-6 1 30 . 53.411 8.653 -10.286 1 29.49 ? HD13 ILE A-6 30 1 
ATOM 6280 N N . LYS A-6 1 31 . 56.911 13.97 -9.384 1 16.58 ? N LYS A-6 31 1 
ATOM 6281 C CA . LYS A-6 1 31 . 57.111 15.253 -8.751 1 16.83 ? CA LYS A-6 31 1 
ATOM 6282 C C . LYS A-6 1 31 . 55.807 15.857 -8.307 1 15.34 ? C LYS A-6 31 1 
ATOM 6283 O O . LYS A-6 1 31 . 54.958 16.101 -9.165 1 19.53 ? O LYS A-6 31 1 
ATOM 6284 C CB . LYS A-6 1 31 . 58.013 16.212 -9.59 1 21.62 ? CB LYS A-6 31 1 
ATOM 6285 C CG . LYS A-6 1 31 . 58.093 17.615 -9.027 1 26.44 ? CG LYS A-6 31 1 
ATOM 6286 C CD . LYS A-6 1 31 . 58.839 18.536 -9.988 1 31.53 ? CD LYS A-6 31 1 
ATOM 6287 C CE . LYS A-6 1 31 . 58.235 19.895 -9.981 1 35.78 ? CE LYS A-6 31 1 
ATOM 6288 N NZ . LYS A-6 1 31 . 58.926 20.813 -10.904 1 37.39 ? NZ LYS A-6 31 1 
ATOM 6289 H H . LYS A-6 1 31 . 56.56 14.046 -10.165 1 19.89 ? H LYS A-6 31 1 
ATOM 6290 H HA . LYS A-6 1 31 . 56.621 15.462 -9.562 1 20.2 ? HA LYS A-6 31 1 
ATOM 6291 H HB2 . LYS A-6 1 31 . 58.913 15.851 -9.617 1 25.95 ? HB2 LYS A-6 31 1 
ATOM 6292 H HB3 . LYS A-6 1 31 . 57.655 16.272 -10.489 1 25.95 ? HB3 LYS A-6 31 1 
ATOM 6293 H HG2 . LYS A-6 1 31 . 57.197 17.965 -8.9 1 31.73 ? HG2 LYS A-6 31 1 
ATOM 6294 H HG3 . LYS A-6 1 31 . 58.574 17.599 -8.184 1 31.73 ? HG3 LYS A-6 31 1 
ATOM 6295 H HD2 . LYS A-6 1 31 . 59.766 18.609 -9.712 1 37.84 ? HD2 LYS A-6 31 1 
ATOM 6296 H HD3 . LYS A-6 1 31 . 58.781 18.179 -10.888 1 37.84 ? HD3 LYS A-6 31 1 
ATOM 6297 H HE2 . LYS A-6 1 31 . 57.307 19.833 -10.256 1 42.93 ? HE2 LYS A-6 31 1 
ATOM 6298 H HE3 . LYS A-6 1 31 . 58.295 20.266 -9.086 1 42.93 ? HE3 LYS A-6 31 1 
ATOM 6299 H HZ1 . LYS A-6 1 31 . 58.543 21.616 -10.878 1 44.87 ? HZ1 LYS A-6 31 1 
ATOM 6300 H HZ2 . LYS A-6 1 31 . 59.781 20.892 -10.671 1 44.87 ? HZ2 LYS A-6 31 1 
ATOM 6301 H HZ3 . LYS A-6 1 31 . 58.882 20.498 -11.736 1 44.87 ? HZ3 LYS A-6 31 1 
ATOM 6302 N N . LEU A-6 1 32 . 55.643 16.119 -7.022 1 13.93 ? N LEU A-6 32 1 
ATOM 6303 C CA . LEU A-6 1 32 . 54.513 16.848 -6.475 1 14.17 ? CA LEU A-6 32 1 
ATOM 6304 C C . LEU A-6 1 32 . 54.937 18.294 -6.202 1 14.52 ? C LEU A-6 32 1 
ATOM 6305 O O . LEU A-6 1 32 . 56.101 18.539 -5.896 1 16.03 ? O LEU A-6 32 1 
ATOM 6306 C CB . LEU A-6 1 32 . 54.025 16.214 -5.174 1 14.68 ? CB LEU A-6 32 1 
ATOM 6307 C CG . LEU A-6 1 32 . 53.76 14.719 -5.178 1 15.54 ? CG LEU A-6 32 1 
ATOM 6308 C CD1 . LEU A-6 1 32 . 53.385 14.234 -3.801 1 16.74 ? CD1 LEU A-6 32 1 
ATOM 6309 C CD2 . LEU A-6 1 32 . 52.677 14.385 -6.162 1 18.43 ? CD2 LEU A-6 32 1 
ATOM 6310 H H . LEU A-6 1 32 . 56.204 15.873 -6.418 1 16.72 ? H LEU A-6 32 1 
ATOM 6311 H HA . LEU A-6 1 32 . 53.784 16.851 -7.114 1 17 ? HA LEU A-6 32 1 
ATOM 6312 H HB2 . LEU A-6 1 32 . 54.692 16.382 -4.49 1 17.62 ? HB2 LEU A-6 32 1 
ATOM 6313 H HB3 . LEU A-6 1 32 . 53.195 16.649 -4.922 1 17.62 ? HB3 LEU A-6 32 1 
ATOM 6314 H HG . LEU A-6 1 32 . 54.567 14.255 -5.451 1 18.65 ? HG LEU A-6 32 1 
ATOM 6315 H HD11 . LEU A-6 1 32 . 53.222 13.278 -3.838 1 20.09 ? HD11 LEU A-6 32 1 
ATOM 6316 H HD12 . LEU A-6 1 32 . 54.115 14.422 -3.191 1 20.09 ? HD12 LEU A-6 32 1 
ATOM 6317 H HD13 . LEU A-6 1 32 . 52.583 14.694 -3.512 1 20.09 ? HD13 LEU A-6 32 1 
ATOM 6318 H HD21 . LEU A-6 1 32 . 52.523 13.427 -6.149 1 22.11 ? HD21 LEU A-6 32 1 
ATOM 6319 H HD22 . LEU A-6 1 32 . 51.866 14.853 -5.91 1 22.11 ? HD22 LEU A-6 32 1 
ATOM 6320 H HD23 . LEU A-6 1 32 . 52.959 14.663 -7.048 1 22.11 ? HD23 LEU A-6 32 1 
ATOM 6321 N N . GLN A-6 1 33 . 54.021 19.246 -6.294 1 15.66 ? N GLN A-6 33 1 
ATOM 6322 C CA . GLN A-6 1 33 . 54.327 20.637 -5.963 1 16.64 ? CA GLN A-6 33 1 
ATOM 6323 C C . GLN A-6 1 33 . 53.189 21.248 -5.188 1 16.08 ? C GLN A-6 33 1 
ATOM 6324 O O . GLN A-6 1 33 . 52.014 20.95 -5.449 1 19.17 ? O GLN A-6 33 1 
ATOM 6325 C CB . GLN A-6 1 33 . 54.541 21.434 -7.241 1 20.75 ? CB GLN A-6 33 1 
ATOM 6326 C CG . GLN A-6 1 33 . 55.779 21.066 -7.932 1 25.88 ? CG GLN A-6 33 1 
ATOM 6327 C CD . GLN A-6 1 33 . 55.993 21.932 -9.133 1 33.78 ? CD GLN A-6 33 1 
ATOM 6328 O OE1 . GLN A-6 1 33 . 55.291 21.795 -10.127 0.5 33.88 ? OE1 GLN A-6 33 1 
ATOM 6329 N NE2 . GLN A-6 1 33 . 56.949 22.858 -9.045 1 38.98 ? NE2 GLN A-6 33 1 
ATOM 6330 H H . GLN A-6 1 33 . 53.21 19.116 -6.548 1 18.79 ? H GLN A-6 33 1 
ATOM 6331 H HA . GLN A-6 1 33 . 55.133 20.68 -5.426 1 19.96 ? HA GLN A-6 33 1 
ATOM 6332 H HB2 . GLN A-6 1 33 . 53.8 21.27 -7.844 1 24.9 ? HB2 GLN A-6 33 1 
ATOM 6333 H HB3 . GLN A-6 1 33 . 54.588 22.378 -7.021 1 24.9 ? HB3 GLN A-6 33 1 
ATOM 6334 H HG2 . GLN A-6 1 33 . 56.531 21.185 -7.33 1 31.06 ? HG2 GLN A-6 33 1 
ATOM 6335 H HG3 . GLN A-6 1 33 . 55.723 20.143 -8.225 1 31.06 ? HG3 GLN A-6 33 1 
ATOM 6336 H HE21 . GLN A-6 1 33 . 57.407 22.936 -8.322 1 46.78 ? HE21 GLN A-6 33 1 
ATOM 6337 H HE22 . GLN A-6 1 33 . 57.106 23.378 -9.712 1 46.78 ? HE22 GLN A-6 33 1 
ATOM 6338 N N . GLY A-6 1 34 . 53.546 22.062 -4.221 1 14.64 ? N GLY A-6 34 1 
ATOM 6339 C CA . GLY A-6 1 34 . 52.546 22.757 -3.45 1 16.49 ? CA GLY A-6 34 1 
ATOM 6340 C C . GLY A-6 1 34 . 53.154 23.369 -2.207 1 14.51 ? C GLY A-6 34 1 
ATOM 6341 O O . GLY A-6 1 34 . 54.347 23.59 -2.134 1 17.5 ? O GLY A-6 34 1 
ATOM 6342 H H . GLY A-6 1 34 . 54.357 22.23 -3.991 1 17.57 ? H GLY A-6 34 1 
ATOM 6343 H HA2 . GLY A-6 1 34 . 52.151 23.463 -3.985 1 19.78 ? HA2 GLY A-6 34 1 
ATOM 6344 H HA3 . GLY A-6 1 34 . 51.847 22.138 -3.184 1 19.78 ? HA3 GLY A-6 34 1 
ATOM 6345 N N . GLN A-6 1 35 . 52.34 23.667 -1.236 1 14.44 ? N GLN A-6 35 1 
ATOM 6346 C CA . GLN A-6 1 35 . 52.79 24.211 0.042 1 14.41 ? CA GLN A-6 35 1 
ATOM 6347 C C . GLN A-6 1 35 . 52.512 23.189 1.108 1 13.95 ? C GLN A-6 35 1 
ATOM 6348 O O . GLN A-6 1 35 . 51.489 22.496 1.062 1 15.12 ? O GLN A-6 35 1 
ATOM 6349 C CB . GLN A-6 1 35 . 52.122 25.527 0.362 1 15.96 ? CB GLN A-6 35 1 
ATOM 6350 C CG . GLN A-6 1 35 . 52.595 26.643 -0.57 1 16.96 ? CG GLN A-6 35 1 
ATOM 6351 C CD . GLN A-6 1 35 . 51.578 27.776 -0.595 1 19.36 ? CD GLN A-6 35 1 
ATOM 6352 O OE1 . GLN A-6 1 35 . 50.387 27.574 -0.967 0.58 17.85 ? OE1 GLN A-6 35 1 
ATOM 6353 N NE2 . GLN A-6 1 35 . 51.974 28.959 -0.178 1 21.28 ? NE2 GLN A-6 35 1 
ATOM 6354 H H . GLN A-6 1 35 . 51.488 23.563 -1.281 1 17.32 ? H GLN A-6 35 1 
ATOM 6355 H HA . GLN A-6 1 35 . 53.747 24.359 0.007 1 17.3 ? HA GLN A-6 35 1 
ATOM 6356 H HB2 . GLN A-6 1 35 . 51.162 25.431 0.258 1 19.15 ? HB2 GLN A-6 35 1 
ATOM 6357 H HB3 . GLN A-6 1 35 . 52.337 25.781 1.273 1 19.15 ? HB3 GLN A-6 35 1 
ATOM 6358 H HG2 . GLN A-6 1 35 . 53.44 26.996 -0.251 1 20.35 ? HG2 GLN A-6 35 1 
ATOM 6359 H HG3 . GLN A-6 1 35 . 52.689 26.295 -1.471 1 20.35 ? HG3 GLN A-6 35 1 
ATOM 6360 H HE21 . GLN A-6 1 35 . 51.425 29.621 -0.179 1 25.53 ? HE21 GLN A-6 35 1 
ATOM 6361 H HE22 . GLN A-6 1 35 . 52.782 29.07 0.095 1 25.53 ? HE22 GLN A-6 35 1 
ATOM 6362 N N . ILE A-6 1 36 . 53.402 23.073 2.07 1 13.51 ? N ILE A-6 36 1 
ATOM 6363 C CA . ILE A-6 1 36 . 53.213 22.166 3.191 1 13.64 ? CA ILE A-6 36 1 
ATOM 6364 C C . ILE A-6 1 36 . 52.225 22.767 4.138 1 13.68 ? C ILE A-6 36 1 
ATOM 6365 O O . ILE A-6 1 36 . 52.52 23.804 4.74 1 17 ? O ILE A-6 36 1 
ATOM 6366 C CB . ILE A-6 1 36 . 54.511 21.807 3.855 1 14.86 ? CB ILE A-6 36 1 
ATOM 6367 C CG1 . ILE A-6 1 36 . 55.389 21.033 2.841 1 16.12 ? CG1 ILE A-6 36 1 
ATOM 6368 C CG2 . ILE A-6 1 36 . 54.284 21.028 5.107 1 15.07 ? CG2 ILE A-6 36 1 
ATOM 6369 C CD1 . ILE A-6 1 36 . 56.764 20.685 3.327 1 19.44 ? CD1 ILE A-6 36 1 
ATOM 6370 H H . ILE A-6 1 36 . 54.139 23.516 2.101 1 16.21 ? H ILE A-6 36 1 
ATOM 6371 H HA . ILE A-6 1 36 . 52.825 21.343 2.855 1 16.37 ? HA ILE A-6 36 1 
ATOM 6372 H HB . ILE A-6 1 36 . 54.97 22.629 4.089 1 17.83 ? HB ILE A-6 36 1 
ATOM 6373 H HG12 . ILE A-6 1 36 . 54.94 20.204 2.615 1 19.34 ? HG12 ILE A-6 36 1 
ATOM 6374 H HG13 . ILE A-6 1 36 . 55.49 21.576 2.043 1 19.34 ? HG13 ILE A-6 36 1 
ATOM 6375 H HG21 . ILE A-6 1 36 . 53.757 21.564 5.721 1 18.08 ? HG21 ILE A-6 36 1 
ATOM 6376 H HG22 . ILE A-6 1 36 . 53.809 20.212 4.889 1 18.08 ? HG22 ILE A-6 36 1 
ATOM 6377 H HG23 . ILE A-6 1 36 . 55.141 20.816 5.507 1 18.08 ? HG23 ILE A-6 36 1 
ATOM 6378 H HD11 . ILE A-6 1 36 . 57.234 20.205 2.627 1 23.33 ? HD11 ILE A-6 36 1 
ATOM 6379 H HD12 . ILE A-6 1 36 . 57.239 21.502 3.544 1 23.33 ? HD12 ILE A-6 36 1 
ATOM 6380 H HD13 . ILE A-6 1 36 . 56.688 20.127 4.117 1 23.33 ? HD13 ILE A-6 36 1 
ATOM 6381 N N . GLU A-6 1 37 . 51.089 22.123 4.317 1 14 ? N GLU A-6 37 1 
ATOM 6382 C CA . GLU A-6 1 37 . 50.086 22.588 5.242 1 16.02 ? CA GLU A-6 37 1 
ATOM 6383 C C . GLU A-6 1 37 . 50.412 22.14 6.661 1 14.83 ? C GLU A-6 37 1 
ATOM 6384 O O . GLU A-6 1 37 . 50.202 22.884 7.623 1 16.69 ? O GLU A-6 37 1 
ATOM 6385 C CB . GLU A-6 1 37 . 48.704 22.02 4.864 1 22.02 ? CB GLU A-6 37 1 
ATOM 6386 C CG . GLU A-6 1 37 . 47.617 22.376 5.879 1 33.9 ? CG GLU A-6 37 1 
ATOM 6387 C CD . GLU A-6 1 37 . 46.245 21.805 5.558 1 50.18 ? CD GLU A-6 37 1 
ATOM 6388 O OE1 . GLU A-6 1 37 . 45.337 21.962 6.397 1 62.78 ? OE1 GLU A-6 37 1 
ATOM 6389 O OE2 . GLU A-6 1 37 . 46.07 21.194 4.488 0.61 48.69 ? OE2 GLU A-6 37 1 
ATOM 6390 H H . GLU A-6 1 37 . 50.875 21.4 3.904 1 16.8 ? H GLU A-6 37 1 
ATOM 6391 H HA . GLU A-6 1 37 . 50.043 23.557 5.222 1 19.23 ? HA GLU A-6 37 1 
ATOM 6392 H HB2 . GLU A-6 1 37 . 48.44 22.381 4.003 1 26.43 ? HB2 GLU A-6 37 1 
ATOM 6393 H HB3 . GLU A-6 1 37 . 48.763 21.053 4.814 1 26.43 ? HB3 GLU A-6 37 1 
ATOM 6394 H HG2 . GLU A-6 1 37 . 47.881 22.035 6.748 1 40.68 ? HG2 GLU A-6 37 1 
ATOM 6395 H HG3 . GLU A-6 1 37 . 47.533 23.342 5.918 1 40.68 ? HG3 GLU A-6 37 1 
ATOM 6396 N N . SER A-6 1 38 . 50.881 20.904 6.803 1 14.39 ? N SER A-6 38 1 
ATOM 6397 C CA . SER A-6 1 38 . 51.127 20.3 8.075 1 14.93 ? CA SER A-6 38 1 
ATOM 6398 C C . SER A-6 1 38 . 51.943 19.022 7.831 1 13.7 ? C SER A-6 38 1 
ATOM 6399 O O . SER A-6 1 38 . 52.058 18.556 6.695 1 13.45 ? O SER A-6 38 1 
ATOM 6400 C CB . SER A-6 1 38 . 49.857 19.956 8.835 1 18.64 ? CB SER A-6 38 1 
ATOM 6401 O OG . SER A-6 1 38 . 49.041 19.208 8.033 1 24.13 ? OG SER A-6 38 1 
ATOM 6402 H H . SER A-6 1 38 . 51.067 20.388 6.141 1 17.27 ? H SER A-6 38 1 
ATOM 6403 H HA . SER A-6 1 38 . 51.656 20.903 8.621 1 17.91 ? HA SER A-6 38 1 
ATOM 6404 H HB2 . SER A-6 1 38 . 50.086 19.444 9.626 1 22.37 ? HB2 SER A-6 38 1 
ATOM 6405 H HB3 . SER A-6 1 38 . 49.401 20.775 9.083 1 22.37 ? HB3 SER A-6 38 1 
ATOM 6406 H HG . SER A-6 1 38 . 48.336 19.012 8.445 1 28.96 ? HG SER A-6 38 1 
ATOM 6407 N N . PHE A-6 1 39 . 52.475 18.47 8.916 1 13.66 ? N PHE A-6 39 1 
ATOM 6408 C CA . PHE A-6 1 39 . 53.213 17.215 8.81 1 12.9 ? CA PHE A-6 39 1 
ATOM 6409 C C . PHE A-6 1 39 . 53.221 16.59 10.192 1 13.34 ? C PHE A-6 39 1 
ATOM 6410 O O . PHE A-6 1 39 . 53.017 17.254 11.194 1 15.13 ? O PHE A-6 39 1 
ATOM 6411 C CB . PHE A-6 1 39 . 54.635 17.432 8.257 1 13.35 ? CB PHE A-6 39 1 
ATOM 6412 C CG . PHE A-6 1 39 . 55.493 18.265 9.142 1 13.99 ? CG PHE A-6 39 1 
ATOM 6413 C CD1 . PHE A-6 1 39 . 55.434 19.663 9.04 1 15.87 ? CD1 PHE A-6 39 1 
ATOM 6414 C CD2 . PHE A-6 1 39 . 56.324 17.668 10.112 1 15.48 ? CD2 PHE A-6 39 1 
ATOM 6415 C CE1 . PHE A-6 1 39 . 56.211 20.437 9.901 1 17.63 ? CE1 PHE A-6 39 1 
ATOM 6416 C CE2 . PHE A-6 1 39 . 57.12 18.441 10.916 1 19.03 ? CE2 PHE A-6 39 1 
ATOM 6417 C CZ . PHE A-6 1 39 . 57.058 19.823 10.82 1 19.28 ? CZ PHE A-6 39 1 
ATOM 6418 H H . PHE A-6 1 39 . 52.426 18.793 9.711 1 16.39 ? H PHE A-6 39 1 
ATOM 6419 H HA . PHE A-6 1 39 . 52.742 16.617 8.208 1 15.48 ? HA PHE A-6 39 1 
ATOM 6420 H HB2 . PHE A-6 1 39 . 55.065 16.57 8.151 1 16.02 ? HB2 PHE A-6 39 1 
ATOM 6421 H HB3 . PHE A-6 1 39 . 54.572 17.878 7.398 1 16.02 ? HB3 PHE A-6 39 1 
ATOM 6422 H HD1 . PHE A-6 1 39 . 54.871 20.067 8.42 1 19.05 ? HD1 PHE A-6 39 1 
ATOM 6423 H HD2 . PHE A-6 1 39 . 56.37 16.741 10.171 1 18.58 ? HD2 PHE A-6 39 1 
ATOM 6424 H HE1 . PHE A-6 1 39 . 56.194 21.364 9.833 1 21.16 ? HE1 PHE A-6 39 1 
ATOM 6425 H HE2 . PHE A-6 1 39 . 57.67 18.041 11.551 1 22.84 ? HE2 PHE A-6 39 1 
ATOM 6426 H HZ . PHE A-6 1 39 . 57.581 20.346 11.382 1 23.14 ? HZ PHE A-6 39 1 
ATOM 6427 N N . ASP A-6 1 40 . 53.513 15.289 10.23 1 12.6 ? N ASP A-6 40 1 
ATOM 6428 C CA . ASP A-6 1 40 . 53.691 14.59 11.466 1 13.4 ? CA ASP A-6 40 1 
ATOM 6429 C C . ASP A-6 1 40 . 54.819 13.58 11.294 1 12.51 ? C ASP A-6 40 1 
ATOM 6430 O O . ASP A-6 1 40 . 55.637 13.694 10.395 1 13.17 ? O ASP A-6 40 1 
ATOM 6431 C CB . ASP A-6 1 40 . 52.38 13.988 11.988 1 13.97 ? CB ASP A-6 40 1 
ATOM 6432 C CG . ASP A-6 1 40 . 51.853 12.8 11.2 1 13.85 ? CG ASP A-6 40 1 
ATOM 6433 O OD1 . ASP A-6 1 40 . 52.564 12.3 10.323 1 14.8 ? OD1 ASP A-6 40 1 
ATOM 6434 O OD2 . ASP A-6 1 40 . 50.721 12.348 11.516 1 15.52 ? OD2 ASP A-6 40 1 
ATOM 6435 H H . ASP A-6 1 40 . 53.612 14.795 9.533 1 15.12 ? H ASP A-6 40 1 
ATOM 6436 H HA . ASP A-6 1 40 . 53.988 15.232 12.13 1 16.08 ? HA ASP A-6 40 1 
ATOM 6437 H HB2 . ASP A-6 1 40 . 52.519 13.694 12.902 1 16.77 ? HB2 ASP A-6 40 1 
ATOM 6438 H HB3 . ASP A-6 1 40 . 51.696 14.677 11.97 1 16.77 ? HB3 ASP A-6 40 1 
ATOM 6439 N N . GLN A-6 1 41 . 54.886 12.624 12.209 1 13.44 ? N GLN A-6 41 1 
ATOM 6440 C CA . GLN A-6 1 41 . 55.919 11.645 12.155 1 13.9 ? CA GLN A-6 41 1 
ATOM 6441 C C . GLN A-6 1 41 . 56.067 10.935 10.786 1 12.56 ? C GLN A-6 41 1 
ATOM 6442 O O . GLN A-6 1 41 . 57.189 10.687 10.328 1 13.49 ? O GLN A-6 41 1 
ATOM 6443 C CB . GLN A-6 1 41 . 55.613 10.605 13.239 1 16.07 ? CB GLN A-6 41 1 
ATOM 6444 C CG . GLN A-6 1 41 . 56.632 9.545 13.316 1 17.95 ? CG GLN A-6 41 1 
ATOM 6445 C CD . GLN A-6 1 41 . 56.427 8.714 14.518 1 19.09 ? CD GLN A-6 41 1 
ATOM 6446 O OE1 . GLN A-6 1 41 . 55.282 8.381 14.916 1 20.15 ? OE1 GLN A-6 41 1 
ATOM 6447 N NE2 . GLN A-6 1 41 . 57.528 8.323 15.119 1 20.8 ? NE2 GLN A-6 41 1 
ATOM 6448 H H . GLN A-6 1 41 . 54.34 12.533 12.866 1 16.13 ? H GLN A-6 41 1 
ATOM 6449 H HA . GLN A-6 1 41 . 56.767 12.065 12.37 1 16.68 ? HA GLN A-6 41 1 
ATOM 6450 H HB2 . GLN A-6 1 41 . 55.576 11.048 14.101 1 19.28 ? HB2 GLN A-6 41 1 
ATOM 6451 H HB3 . GLN A-6 1 41 . 54.76 10.187 13.043 1 19.28 ? HB3 GLN A-6 41 1 
ATOM 6452 H HG2 . GLN A-6 1 41 . 56.564 8.974 12.534 1 21.54 ? HG2 GLN A-6 41 1 
ATOM 6453 H HG3 . GLN A-6 1 41 . 57.512 9.946 13.368 1 21.54 ? HG3 GLN A-6 41 1 
ATOM 6454 H HE21 . GLN A-6 1 41 . 57.482 7.836 15.826 1 24.96 ? HE21 GLN A-6 41 1 
ATOM 6455 H HE22 . GLN A-6 1 41 . 58.294 8.554 14.805 1 24.96 ? HE22 GLN A-6 41 1 
ATOM 6456 N N . PHE A-6 1 42 . 54.939 10.579 10.191 1 11.98 ? N PHE A-6 42 1 
ATOM 6457 C CA . PHE A-6 1 42 . 54.932 9.728 9.014 1 11.84 ? CA PHE A-6 42 1 
ATOM 6458 C C . PHE A-6 1 42 . 54.456 10.371 7.709 1 11.18 ? C PHE A-6 42 1 
ATOM 6459 O O . PHE A-6 1 42 . 54.675 9.778 6.661 1 11.21 ? O PHE A-6 42 1 
ATOM 6460 C CB . PHE A-6 1 42 . 54.133 8.473 9.276 1 12.28 ? CB PHE A-6 42 1 
ATOM 6461 C CG . PHE A-6 1 42 . 54.756 7.575 10.315 1 12.96 ? CG PHE A-6 42 1 
ATOM 6462 C CD1 . PHE A-6 1 42 . 56.028 7.041 10.128 1 15.43 ? CD1 PHE A-6 42 1 
ATOM 6463 C CD2 . PHE A-6 1 42 . 54.059 7.222 11.443 1 14.45 ? CD2 PHE A-6 42 1 
ATOM 6464 C CE1 . PHE A-6 1 42 . 56.574 6.185 11.067 1 16.69 ? CE1 PHE A-6 42 1 
ATOM 6465 C CE2 . PHE A-6 1 42 . 54.632 6.365 12.378 1 17.13 ? CE2 PHE A-6 42 1 
ATOM 6466 C CZ . PHE A-6 1 42 . 55.899 5.866 12.181 1 17.55 ? CZ PHE A-6 42 1 
ATOM 6467 H H . PHE A-6 1 42 . 54.155 10.819 10.453 1 14.38 ? H PHE A-6 42 1 
ATOM 6468 H HA . PHE A-6 1 42 . 55.847 9.445 8.86 1 14.21 ? HA PHE A-6 42 1 
ATOM 6469 H HB2 . PHE A-6 1 42 . 53.249 8.723 9.589 1 14.74 ? HB2 PHE A-6 42 1 
ATOM 6470 H HB3 . PHE A-6 1 42 . 54.06 7.969 8.451 1 14.74 ? HB3 PHE A-6 42 1 
ATOM 6471 H HD1 . PHE A-6 1 42 . 56.511 7.257 9.363 1 18.52 ? HD1 PHE A-6 42 1 
ATOM 6472 H HD2 . PHE A-6 1 42 . 53.205 7.559 11.585 1 17.34 ? HD2 PHE A-6 42 1 
ATOM 6473 H HE1 . PHE A-6 1 42 . 57.431 5.848 10.938 1 20.03 ? HE1 PHE A-6 42 1 
ATOM 6474 H HE2 . PHE A-6 1 42 . 54.16 6.14 13.148 1 20.56 ? HE2 PHE A-6 42 1 
ATOM 6475 H HZ . PHE A-6 1 42 . 56.277 5.294 12.808 1 21.06 ? HZ PHE A-6 42 1 
ATOM 6476 N N . VAL A-6 1 43 . 53.763 11.505 7.759 1 11.02 ? N VAL A-6 43 1 
ATOM 6477 C CA . VAL A-6 1 43 . 53.148 12.061 6.571 1 11.27 ? CA VAL A-6 43 1 
ATOM 6478 C C . VAL A-6 1 43 . 53.392 13.56 6.489 1 11.18 ? C VAL A-6 43 1 
ATOM 6479 O O . VAL A-6 1 43 . 53.674 14.247 7.479 1 12.18 ? O VAL A-6 43 1 
ATOM 6480 C CB . VAL A-6 1 43 . 51.617 11.772 6.479 1 11.68 ? CB VAL A-6 43 1 
ATOM 6481 C CG1 . VAL A-6 1 43 . 51.335 10.283 6.579 1 12.51 ? CG1 VAL A-6 43 1 
ATOM 6482 C CG2 . VAL A-6 1 43 . 50.817 12.56 7.512 1 13.82 ? CG2 VAL A-6 43 1 
ATOM 6483 H H . VAL A-6 1 43 . 53.637 11.968 8.473 1 13.22 ? H VAL A-6 43 1 
ATOM 6484 H HA . VAL A-6 1 43 . 53.565 11.656 5.794 1 13.53 ? HA VAL A-6 43 1 
ATOM 6485 H HB . VAL A-6 1 43 . 51.311 12.06 5.605 1 14.02 ? HB VAL A-6 43 1 
ATOM 6486 H HG11 . VAL A-6 1 43 . 50.378 10.139 6.519 1 15.01 ? HG11 VAL A-6 43 1 
ATOM 6487 H HG12 . VAL A-6 1 43 . 51.785 9.827 5.851 1 15.01 ? HG12 VAL A-6 43 1 
ATOM 6488 H HG13 . VAL A-6 1 43 . 51.667 9.956 7.43 1 15.01 ? HG13 VAL A-6 43 1 
ATOM 6489 H HG21 . VAL A-6 1 43 . 51.427 13.101 8.038 1 16.59 ? HG21 VAL A-6 43 1 
ATOM 6490 H HG22 . VAL A-6 1 43 . 50.183 13.13 7.051 1 16.59 ? HG22 VAL A-6 43 1 
ATOM 6491 H HG23 . VAL A-6 1 43 . 50.346 11.938 8.088 1 16.59 ? HG23 VAL A-6 43 1 
ATOM 6492 N N . ILE A-6 1 44 . 53.24 14.054 5.27 1 11.46 ? N ILE A-6 44 1 
ATOM 6493 C CA . ILE A-6 1 44 . 53.245 15.49 4.962 1 11.67 ? CA ILE A-6 44 1 
ATOM 6494 C C . ILE A-6 1 44 . 51.921 15.738 4.223 1 12 ? C ILE A-6 44 1 
ATOM 6495 O O . ILE A-6 1 44 . 51.603 15.039 3.271 1 13.21 ? O ILE A-6 44 1 
ATOM 6496 C CB . ILE A-6 1 44 . 54.451 15.881 4.095 1 12.35 ? CB ILE A-6 44 1 
ATOM 6497 C CG1 . ILE A-6 1 44 . 55.767 15.6 4.877 1 13.04 ? CG1 ILE A-6 44 1 
ATOM 6498 C CG2 . ILE A-6 1 44 . 54.348 17.315 3.664 1 14.26 ? CG2 ILE A-6 44 1 
ATOM 6499 C CD1 . ILE A-6 1 44 . 57.017 15.831 4.065 1 13.83 ? CD1 ILE A-6 44 1 
ATOM 6500 H H . ILE A-6 1 44 . 53.129 13.562 4.573 1 13.75 ? H ILE A-6 44 1 
ATOM 6501 H HA . ILE A-6 1 44 . 53.257 16.008 5.781 1 14.01 ? HA ILE A-6 44 1 
ATOM 6502 H HB . ILE A-6 1 44 . 54.448 15.324 3.301 1 14.83 ? HB ILE A-6 44 1 
ATOM 6503 H HG12 . ILE A-6 1 44 . 55.803 16.186 5.649 1 15.65 ? HG12 ILE A-6 44 1 
ATOM 6504 H HG13 . ILE A-6 1 44 . 55.767 14.674 5.166 1 15.65 ? HG13 ILE A-6 44 1 
ATOM 6505 H HG21 . ILE A-6 1 44 . 53.533 17.431 3.149 1 17.12 ? HG21 ILE A-6 44 1 
ATOM 6506 H HG22 . ILE A-6 1 44 . 54.324 17.88 4.452 1 17.12 ? HG22 ILE A-6 44 1 
ATOM 6507 H HG23 . ILE A-6 1 44 . 55.119 17.537 3.119 1 17.12 ? HG23 ILE A-6 44 1 
ATOM 6508 H HD11 . ILE A-6 1 44 . 57.005 15.245 3.292 1 16.6 ? HD11 ILE A-6 44 1 
ATOM 6509 H HD12 . ILE A-6 1 44 . 57.04 16.758 3.777 1 16.6 ? HD12 ILE A-6 44 1 
ATOM 6510 H HD13 . ILE A-6 1 44 . 57.792 15.637 4.616 1 16.6 ? HD13 ILE A-6 44 1 
ATOM 6511 N N . LEU A-6 1 45 . 51.201 16.779 4.639 1 12.01 ? N LEU A-6 45 1 
ATOM 6512 C CA A LEU A-6 1 45 . 50.035 17.248 3.943 0.36 15.21 ? CA LEU A-6 45 1 
ATOM 6513 C CA B LEU A-6 1 45 . 50.012 17.224 3.972 0.64 12.39 ? CA LEU A-6 45 1 
ATOM 6514 C C . LEU A-6 1 45 . 50.392 18.35 3.003 1 12.4 ? C LEU A-6 45 1 
ATOM 6515 O O . LEU A-6 1 45 . 50.853 19.417 3.467 1 13.99 ? O LEU A-6 45 1 
ATOM 6516 C CB A LEU A-6 1 45 . 48.81 17.536 4.793 0.36 18.76 ? CB LEU A-6 45 1 
ATOM 6517 C CB B LEU A-6 1 45 . 48.891 17.641 4.938 0.64 13.42 ? CB LEU A-6 45 1 
ATOM 6518 C CG A LEU A-6 1 45 . 47.836 16.408 5.105 0.36 22.53 ? CG LEU A-6 45 1 
ATOM 6519 C CG B LEU A-6 1 45 . 47.537 17.889 4.257 0.64 20.63 ? CG LEU A-6 45 1 
ATOM 6520 C CD1 A LEU A-6 1 45 . 48.522 15.283 5.791 0.36 23.31 ? CD1 LEU A-6 45 1 
ATOM 6521 C CD1 B LEU A-6 1 45 . 47.01 16.596 3.608 0.64 22.98 ? CD1 LEU A-6 45 1 
ATOM 6522 C CD2 A LEU A-6 1 45 . 46.684 16.976 5.92 0.36 24.44 ? CD2 LEU A-6 45 1 
ATOM 6523 C CD2 B LEU A-6 1 45 . 46.53 18.392 5.223 0.64 22.95 ? CD2 LEU A-6 45 1 
ATOM 6524 H H . LEU A-6 1 45 . 51.395 17.24 5.338 1 14.41 ? H LEU A-6 45 1 
ATOM 6525 H HA . LEU A-6 1 45 . 50.293 17.978 4.521 0.36 14.86 ? HA LEU A-6 45 1 
ATOM 6526 H HB2 A LEU A-6 1 45 . 49.12 17.878 5.647 0.36 22.52 ? HB2 LEU A-6 45 1 
ATOM 6527 H HB2 B LEU A-6 1 45 . 48.768 16.936 5.594 0.64 16.11 ? HB2 LEU A-6 45 1 
ATOM 6528 H HB3 A LEU A-6 1 45 . 48.299 18.229 4.346 0.36 22.52 ? HB3 LEU A-6 45 1 
ATOM 6529 H HB3 B LEU A-6 1 45 . 49.153 18.461 5.384 0.64 16.11 ? HB3 LEU A-6 45 1 
ATOM 6530 H HG A LEU A-6 1 45 . 47.472 16.07 4.272 0.36 27.04 ? HG LEU A-6 45 1 
ATOM 6531 H HG B LEU A-6 1 45 . 47.648 18.555 3.561 0.64 24.76 ? HG LEU A-6 45 1 
ATOM 6532 H HD11 A LEU A-6 1 45 . 47.875 14.584 5.974 0.36 27.97 ? HD11 LEU A-6 45 1 
ATOM 6533 H HD11 B LEU A-6 1 45 . 47.65 16.294 2.944 0.64 27.58 ? HD11 LEU A-6 45 1 
ATOM 6534 H HD12 A LEU A-6 1 45 . 49.223 14.943 5.214 0.36 27.97 ? HD12 LEU A-6 45 1 
ATOM 6535 H HD12 B LEU A-6 1 45 . 46.901 15.92 4.295 0.64 27.58 ? HD12 LEU A-6 45 1 
ATOM 6536 H HD13 A LEU A-6 1 45 . 48.904 15.607 6.621 0.36 27.97 ? HD13 LEU A-6 45 1 
ATOM 6537 H HD13 B LEU A-6 1 45 . 46.157 16.781 3.186 0.64 27.58 ? HD13 LEU A-6 45 1 
ATOM 6538 H HD21 A LEU A-6 1 45 . 46.06 16.263 6.123 0.36 29.33 ? HD21 LEU A-6 45 1 
ATOM 6539 H HD21 B LEU A-6 1 45 . 46.41 17.733 5.925 0.64 27.54 ? HD21 LEU A-6 45 1 
ATOM 6540 H HD22 A LEU A-6 1 45 . 47.036 17.352 6.743 0.36 29.33 ? HD22 LEU A-6 45 1 
ATOM 6541 H HD22 B LEU A-6 1 45 . 46.846 19.227 5.603 0.64 27.54 ? HD22 LEU A-6 45 1 
ATOM 6542 H HD23 A LEU A-6 1 45 . 46.243 17.668 5.403 0.36 29.33 ? HD23 LEU A-6 45 1 
ATOM 6543 H HD23 B LEU A-6 1 45 . 45.692 18.537 4.758 0.64 27.54 ? HD23 LEU A-6 45 1 
ATOM 6544 N N . LEU A-6 1 46 . 50.219 18.157 1.717 1 12.8 ? N LEU A-6 46 1 
ATOM 6545 C CA . LEU A-6 1 46 . 50.653 19.068 0.661 1 12.37 ? CA LEU A-6 46 1 
ATOM 6546 C C . LEU A-6 1 46 . 49.432 19.683 0.002 1 12.95 ? C LEU A-6 46 1 
ATOM 6547 O O . LEU A-6 1 46 . 48.596 18.981 -0.56 1 13.89 ? O LEU A-6 46 1 
ATOM 6548 C CB . LEU A-6 1 46 . 51.464 18.329 -0.372 1 13.24 ? CB LEU A-6 46 1 
ATOM 6549 C CG . LEU A-6 1 46 . 52.169 19.193 -1.412 1 14.45 ? CG LEU A-6 46 1 
ATOM 6550 C CD1 . LEU A-6 1 46 . 53.283 20.028 -0.848 1 15.35 ? CD1 LEU A-6 46 1 
ATOM 6551 C CD2 . LEU A-6 1 46 . 52.62 18.332 -2.557 1 16.85 ? CD2 LEU A-6 46 1 
ATOM 6552 H H . LEU A-6 1 46 . 49.828 17.459 1.403 1 15.36 ? H LEU A-6 46 1 
ATOM 6553 H HA . LEU A-6 1 46 . 51.197 19.777 1.04 1 14.85 ? HA LEU A-6 46 1 
ATOM 6554 H HB2 . LEU A-6 1 46 . 52.146 17.815 0.087 1 15.88 ? HB2 LEU A-6 46 1 
ATOM 6555 H HB3 . LEU A-6 1 46 . 50.874 17.726 -0.85 1 15.88 ? HB3 LEU A-6 46 1 
ATOM 6556 H HG . LEU A-6 1 46 . 51.514 19.812 -1.771 1 17.34 ? HG LEU A-6 46 1 
ATOM 6557 H HD11 . LEU A-6 1 46 . 53.948 19.442 -0.454 1 18.42 ? HD11 LEU A-6 46 1 
ATOM 6558 H HD12 . LEU A-6 1 46 . 53.682 20.547 -1.564 1 18.42 ? HD12 LEU A-6 46 1 
ATOM 6559 H HD13 . LEU A-6 1 46 . 52.921 20.621 -0.171 1 18.42 ? HD13 LEU A-6 46 1 
ATOM 6560 H HD21 . LEU A-6 1 46 . 53.067 18.889 -3.213 1 20.22 ? HD21 LEU A-6 46 1 
ATOM 6561 H HD22 . LEU A-6 1 46 . 53.232 17.657 -2.223 1 20.22 ? HD22 LEU A-6 46 1 
ATOM 6562 H HD23 . LEU A-6 1 46 . 51.845 17.908 -2.956 1 20.22 ? HD23 LEU A-6 46 1 
ATOM 6563 N N . LYS A-6 1 47 . 49.313 21.007 0.098 1 14.92 ? N LYS A-6 47 1 
ATOM 6564 C CA A LYS A-6 1 47 . 48.22 21.757 -0.519 0.55 17.41 ? CA LYS A-6 47 1 
ATOM 6565 C CA B LYS A-6 1 47 . 48.208 21.735 -0.506 0.45 16.29 ? CA LYS A-6 47 1 
ATOM 6566 C CA C LYS A-6 1 47 . 48.214 21.76 -0.515 0 19.61 ? CA LYS A-6 47 1 
ATOM 6567 C C . LYS A-6 1 47 . 48.542 22.027 -1.94 1 19.58 ? C LYS A-6 47 1 
ATOM 6568 O O . LYS A-6 1 47 . 49.585 22.608 -2.167 1 25.43 ? O LYS A-6 47 1 
ATOM 6569 C CB A LYS A-6 1 47 . 48.132 23.169 0.052 0.55 22.32 ? CB LYS A-6 47 1 
ATOM 6570 C CB B LYS A-6 1 47 . 47.952 23.033 0.237 0.45 20.36 ? CB LYS A-6 47 1 
ATOM 6571 C CB C LYS A-6 1 47 . 48.099 23.151 0.104 0 25.98 ? CB LYS A-6 47 1 
ATOM 6572 C CG A LYS A-6 1 47 . 47.985 23.297 1.509 0.55 24.44 ? CG LYS A-6 47 1 
ATOM 6573 C CG B LYS A-6 1 47 . 46.729 23.777 -0.261 0.45 22.72 ? CG LYS A-6 47 1 
ATOM 6574 C CG C LYS A-6 1 47 . 47.958 23.182 1.587 0 32.88 ? CG LYS A-6 47 1 
ATOM 6575 C CD A LYS A-6 1 47 . 48.027 24.811 1.881 0.55 27.38 ? CD LYS A-6 47 1 
ATOM 6576 C CD B LYS A-6 1 47 . 45.392 22.96 -0.332 0.45 25.17 ? CD LYS A-6 47 1 
ATOM 6577 C CD C LYS A-6 1 47 . 46.5 23.166 1.983 0 39.64 ? CD LYS A-6 47 1 
ATOM 6578 C CE A LYS A-6 1 47 . 47.644 25.096 3.319 0.55 29.86 ? CE LYS A-6 47 1 
ATOM 6579 C CE B LYS A-6 1 47 . 44.171 23.912 -0.486 0.45 27.19 ? CE LYS A-6 47 1 
ATOM 6580 C CE C LYS A-6 1 47 . 46.032 24.516 2.497 0 44.1 ? CE LYS A-6 47 1 
ATOM 6581 N NZ A LYS A-6 1 47 . 46.184 24.851 3.552 0.55 32.96 ? NZ LYS A-6 47 1 
ATOM 6582 N NZ B LYS A-6 1 47 . 43.267 23.732 -1.727 0.45 23.93 ? NZ LYS A-6 47 1 
ATOM 6583 N NZ C LYS A-6 1 47 . 44.983 25.103 1.621 0 45.99 ? NZ LYS A-6 47 1 
ATOM 6584 H H . LYS A-6 1 47 . 49.872 21.503 0.524 1 17.91 ? H LYS A-6 47 1 
ATOM 6585 H HA . LYS A-6 1 47 . 47.381 21.259 -0.454 0.55 23.54 ? HA LYS A-6 47 1 
ATOM 6586 H HB2 A LYS A-6 1 47 . 48.94 23.645 -0.195 0.55 26.78 ? HB2 LYS A-6 47 1 
ATOM 6587 H HB2 B LYS A-6 1 47 . 47.82 22.835 1.177 0.45 24.44 ? HB2 LYS A-6 47 1 
ATOM 6588 H HB2 C LYS A-6 1 47 . 48.895 23.656 -0.123 0 31.18 ? HB2 LYS A-6 47 1 
ATOM 6589 H HB3 A LYS A-6 1 47 . 47.366 23.609 -0.351 0.55 26.78 ? HB3 LYS A-6 47 1 
ATOM 6590 H HB3 B LYS A-6 1 47 . 48.721 23.614 0.126 0.45 24.44 ? HB3 LYS A-6 47 1 
ATOM 6591 H HB3 C LYS A-6 1 47 . 47.319 23.59 -0.271 0 31.18 ? HB3 LYS A-6 47 1 
ATOM 6592 H HG2 A LYS A-6 1 47 . 47.132 22.929 1.787 0.55 29.32 ? HG2 LYS A-6 47 1 
ATOM 6593 H HG2 B LYS A-6 1 47 . 46.573 24.532 0.328 0.45 27.26 ? HG2 LYS A-6 47 1 
ATOM 6594 H HG2 C LYS A-6 1 47 . 48.388 22.401 1.969 0 39.45 ? HG2 LYS A-6 47 1 
ATOM 6595 H HG3 A LYS A-6 1 47 . 48.718 22.844 1.954 0.55 29.32 ? HG3 LYS A-6 47 1 
ATOM 6596 H HG3 B LYS A-6 1 47 . 46.915 24.102 -1.156 0.45 27.26 ? HG3 LYS A-6 47 1 
ATOM 6597 H HG3 C LYS A-6 1 47 . 48.36 23.994 1.933 0 39.45 ? HG3 LYS A-6 47 1 
ATOM 6598 H HD2 A LYS A-6 1 47 . 48.928 25.142 1.742 0.55 32.85 ? HD2 LYS A-6 47 1 
ATOM 6599 H HD2 B LYS A-6 1 47 . 45.417 22.367 -1.1 0.45 30.2 ? HD2 LYS A-6 47 1 
ATOM 6600 H HD2 C LYS A-6 1 47 . 45.962 22.935 1.209 0 47.56 ? HD2 LYS A-6 47 1 
ATOM 6601 H HD3 A LYS A-6 1 47 . 47.407 25.291 1.309 0.55 32.85 ? HD3 LYS A-6 47 1 
ATOM 6602 H HD3 B LYS A-6 1 47 . 45.282 22.45 0.485 0.45 30.2 ? HD3 LYS A-6 47 1 
ATOM 6603 H HD3 C LYS A-6 1 47 . 46.368 22.512 2.688 0 47.56 ? HD3 LYS A-6 47 1 
ATOM 6604 H HE2 A LYS A-6 1 47 . 48.149 24.514 3.908 0.55 35.84 ? HE2 LYS A-6 47 1 
ATOM 6605 H HE2 B LYS A-6 1 47 . 43.604 23.799 0.294 0.45 32.62 ? HE2 LYS A-6 47 1 
ATOM 6606 H HE2 C LYS A-6 1 47 . 45.66 24.409 3.386 0 52.92 ? HE2 LYS A-6 47 1 
ATOM 6607 H HE3 A LYS A-6 1 47 . 47.833 26.026 3.523 0.55 35.84 ? HE3 LYS A-6 47 1 
ATOM 6608 H HE3 B LYS A-6 1 47 . 44.503 24.823 -0.508 0.45 32.62 ? HE3 LYS A-6 47 1 
ATOM 6609 H HE3 C LYS A-6 1 47 . 46.785 25.128 2.519 0 52.92 ? HE3 LYS A-6 47 1 
ATOM 6610 H HZ1 A LYS A-6 1 47 . 45.699 25.377 3.024 0.55 39.56 ? HZ1 LYS A-6 47 1 
ATOM 6611 H HZ1 B LYS A-6 1 47 . 43.744 23.851 -2.469 0.45 28.72 ? HZ1 LYS A-6 47 1 
ATOM 6612 H HZ1 C LYS A-6 1 47 . 45.301 25.214 0.798 0 55.19 ? HZ1 LYS A-6 47 1 
ATOM 6613 H HZ2 A LYS A-6 1 47 . 45.986 24 3.374 0.55 39.56 ? HZ2 LYS A-6 47 1 
ATOM 6614 H HZ2 B LYS A-6 1 47 . 42.92 22.913 -1.734 0.45 28.72 ? HZ2 LYS A-6 47 1 
ATOM 6615 H HZ2 C LYS A-6 1 47 . 44.278 24.56 1.588 0 55.19 ? HZ2 LYS A-6 47 1 
ATOM 6616 H HZ3 A LYS A-6 1 47 . 45.978 25.022 4.401 0.55 39.56 ? HZ3 LYS A-6 47 1 
ATOM 6617 H HZ3 B LYS A-6 1 47 . 42.605 24.327 -1.71 0.45 28.72 ? HZ3 LYS A-6 47 1 
ATOM 6618 H HZ3 C LYS A-6 1 47 . 44.725 25.892 1.942 0 55.19 ? HZ3 LYS A-6 47 1 
ATOM 6619 N N . THR A-6 1 49 . 44.322 21.572 -5.684 0.76 23.97 ? N THR A-6 49 1 
ATOM 6620 C CA . THR A-6 1 49 . 42.886 21.731 -5.447 1 25.06 ? CA THR A-6 49 1 
ATOM 6621 C C . THR A-6 1 49 . 42.442 21.212 -4.042 0.87 22.97 ? C THR A-6 49 1 
ATOM 6622 O O . THR A-6 1 49 . 41.642 21.824 -3.374 1 25.23 ? O THR A-6 49 1 
ATOM 6623 C CB . THR A-6 1 49 . 42.08 21.049 -6.527 0.71 27.57 ? CB THR A-6 49 1 
ATOM 6624 O OG1 . THR A-6 1 49 . 42.387 21.655 -7.788 0.53 29.04 ? OG1 THR A-6 49 1 
ATOM 6625 C CG2 . THR A-6 1 49 . 40.581 21.194 -6.255 0.42 28.25 ? CG2 THR A-6 49 1 
ATOM 6626 H H . THR A-6 1 49 . 44.529 21.448 -6.51 0.76 28.76 ? H THR A-6 49 1 
ATOM 6627 H HA . THR A-6 1 49 . 42.675 22.676 -5.484 1 30.07 ? HA THR A-6 49 1 
ATOM 6628 H HB . THR A-6 1 49 . 42.302 20.105 -6.555 0.71 33.08 ? HB THR A-6 49 1 
ATOM 6629 H HG1 . THR A-6 1 49 . 43.206 21.571 -7.955 0.53 34.84 ? HG1 THR A-6 49 1 
ATOM 6630 H HG21 . THR A-6 1 49 . 40.337 22.133 -6.233 0.42 33.9 ? HG21 THR A-6 49 1 
ATOM 6631 H HG22 . THR A-6 1 49 . 40.359 20.79 -5.402 0.42 33.9 ? HG22 THR A-6 49 1 
ATOM 6632 H HG23 . THR A-6 1 49 . 40.073 20.753 -6.954 0.42 33.9 ? HG23 THR A-6 49 1 
ATOM 6633 N N . VAL A-6 1 50 . 42.992 20.125 -3.59 1 23.46 ? N VAL A-6 50 1 
ATOM 6634 C CA . VAL A-6 1 50 . 42.773 19.527 -2.25 1 20.02 ? CA VAL A-6 50 1 
ATOM 6635 C C . VAL A-6 1 50 . 44.164 19.375 -1.587 1 18.68 ? C VAL A-6 50 1 
ATOM 6636 O O . VAL A-6 1 50 . 45.199 19.605 -2.186 1 24.31 ? O VAL A-6 50 1 
ATOM 6637 C CB . VAL A-6 1 50 . 42.103 18.159 -2.346 1 20.17 ? CB VAL A-6 50 1 
ATOM 6638 C CG1 . VAL A-6 1 50 . 40.695 18.308 -2.905 1 20.75 ? CG1 VAL A-6 50 1 
ATOM 6639 C CG2 . VAL A-6 1 50 . 42.982 17.212 -3.149 1 20.98 ? CG2 VAL A-6 50 1 
ATOM 6640 H H . VAL A-6 1 50 . 43.544 19.662 -4.06 1 28.15 ? H VAL A-6 50 1 
ATOM 6641 H HA . VAL A-6 1 50 . 42.223 20.113 -1.708 1 24.03 ? HA VAL A-6 50 1 
ATOM 6642 H HB . VAL A-6 1 50 . 42.024 17.794 -1.451 1 24.2 ? HB VAL A-6 50 1 
ATOM 6643 H HG11 . VAL A-6 1 50 . 40.284 17.432 -2.959 1 24.91 ? HG11 VAL A-6 50 1 
ATOM 6644 H HG12 . VAL A-6 1 50 . 40.18 18.88 -2.314 1 24.91 ? HG12 VAL A-6 50 1 
ATOM 6645 H HG13 . VAL A-6 1 50 . 40.747 18.706 -3.788 1 24.91 ? HG13 VAL A-6 50 1 
ATOM 6646 H HG21 . VAL A-6 1 50 . 43.783 17.684 -3.428 1 25.18 ? HG21 VAL A-6 50 1 
ATOM 6647 H HG22 . VAL A-6 1 50 . 43.222 16.455 -2.591 1 25.18 ? HG22 VAL A-6 50 1 
ATOM 6648 H HG23 . VAL A-6 1 50 . 42.489 16.906 -3.926 1 25.18 ? HG23 VAL A-6 50 1 
ATOM 6649 N N . SER A-6 1 51 . 44.169 19.091 -0.339 1 19.83 ? N SER A-6 51 1 
ATOM 6650 C CA A SER A-6 1 51 . 45.396 18.649 0.255 0.77 19.22 ? CA SER A-6 51 1 
ATOM 6651 C CA B SER A-6 1 51 . 45.385 18.661 0.313 0.23 20.41 ? CA SER A-6 51 1 
ATOM 6652 C C . SER A-6 1 51 . 45.543 17.162 0.068 1 19.05 ? C SER A-6 51 1 
ATOM 6653 O O . SER A-6 1 51 . 44.56 16.407 0.211 1 23.01 ? O SER A-6 51 1 
ATOM 6654 C CB A SER A-6 1 51 . 45.383 19.038 1.723 0.77 22.66 ? CB SER A-6 51 1 
ATOM 6655 C CB B SER A-6 1 51 . 45.301 18.976 1.809 0.23 23.29 ? CB SER A-6 51 1 
ATOM 6656 O OG A SER A-6 1 51 . 45.376 20.431 1.779 0.77 26.4 ? OG SER A-6 51 1 
ATOM 6657 O OG B SER A-6 1 51 . 44.332 18.163 2.448 0.23 25.69 ? OG SER A-6 51 1 
ATOM 6658 H H A SER A-6 1 51 . 43.495 19.141 0.193 0.77 23.8 ? H SER A-6 51 1 
ATOM 6659 H H B SER A-6 1 51 . 43.484 19.135 0.178 0.23 23.8 ? H SER A-6 51 1 
ATOM 6660 H HA A SER A-6 1 51 . 46.144 19.091 -0.176 0.77 23.06 ? HA SER A-6 51 1 
ATOM 6661 H HA B SER A-6 1 51 . 46.147 19.126 -0.066 0.23 24.5 ? HA SER A-6 51 1 
ATOM 6662 H HB2 A SER A-6 1 51 . 44.584 18.689 2.147 0.77 27.19 ? HB2 SER A-6 51 1 
ATOM 6663 H HB2 B SER A-6 1 51 . 46.167 18.81 2.214 0.23 27.95 ? HB2 SER A-6 51 1 
ATOM 6664 H HB3 A SER A-6 1 51 . 46.181 18.698 2.159 0.77 27.19 ? HB3 SER A-6 51 1 
ATOM 6665 H HB3 B SER A-6 1 51 . 45.055 19.906 1.922 0.23 27.95 ? HB3 SER A-6 51 1 
ATOM 6666 H HG A SER A-6 1 51 . 46.061 20.738 1.402 0.77 31.68 ? HG SER A-6 51 1 
ATOM 6667 H HG B SER A-6 1 51 . 43.576 18.296 2.107 0.23 30.83 ? HG SER A-6 51 1 
ATOM 6668 N N . GLN A-6 1 52 . 46.755 16.752 -0.29 1 14.8 ? N GLN A-6 52 1 
ATOM 6669 C CA . GLN A-6 1 52 . 47.011 15.338 -0.378 1 15.85 ? CA GLN A-6 52 1 
ATOM 6670 C C . GLN A-6 1 52 . 47.969 14.913 0.687 1 13.15 ? C GLN A-6 52 1 
ATOM 6671 O O . GLN A-6 1 52 . 48.893 15.644 1.084 1 14.99 ? O GLN A-6 52 1 
ATOM 6672 C CB . GLN A-6 1 52 . 47.444 14.981 -1.726 1 17.84 ? CB GLN A-6 52 1 
ATOM 6673 C CG . GLN A-6 1 52 . 48.738 15.483 -2.006 1 16.84 ? CG GLN A-6 52 1 
ATOM 6674 C CD . GLN A-6 1 52 . 49.149 15.171 -3.45 1 19.29 ? CD GLN A-6 52 1 
ATOM 6675 O OE1 . GLN A-6 1 52 . 49.378 14.016 -3.813 1 20.61 ? OE1 GLN A-6 52 1 
ATOM 6676 N NE2 . GLN A-6 1 52 . 49.196 16.192 -4.288 1 22.31 ? NE2 GLN A-6 52 1 
ATOM 6677 H H . GLN A-6 1 52 . 47.421 17.261 -0.481 1 17.76 ? H GLN A-6 52 1 
ATOM 6678 H HA . GLN A-6 1 52 . 46.177 14.87 -0.214 1 19.02 ? HA GLN A-6 52 1 
ATOM 6679 H HB2 . GLN A-6 1 52 . 47.468 14.015 -1.809 1 21.4 ? HB2 GLN A-6 52 1 
ATOM 6680 H HB3 . GLN A-6 1 52 . 46.826 15.359 -2.371 1 21.4 ? HB3 GLN A-6 52 1 
ATOM 6681 H HG2 . GLN A-6 1 52 . 48.742 16.445 -1.888 1 20.21 ? HG2 GLN A-6 52 1 
ATOM 6682 H HG3 . GLN A-6 1 52 . 49.38 15.068 -1.409 1 20.21 ? HG3 GLN A-6 52 1 
ATOM 6683 H HE21 . GLN A-6 1 52 . 49.421 16.066 -5.109 1 26.77 ? HE21 GLN A-6 52 1 
ATOM 6684 H HE22 . GLN A-6 1 52 . 49 16.983 -4.014 1 26.77 ? HE22 GLN A-6 52 1 
ATOM 6685 N N . MET A-6 1 53 . 47.733 13.726 1.195 1 11.91 ? N MET A-6 53 1 
ATOM 6686 C CA . MET A-6 1 53 . 48.549 13.175 2.252 1 11.19 ? CA MET A-6 53 1 
ATOM 6687 C C . MET A-6 1 53 . 49.635 12.327 1.66 1 11.15 ? C MET A-6 53 1 
ATOM 6688 O O . MET A-6 1 53 . 49.325 11.289 1.063 1 13.98 ? O MET A-6 53 1 
ATOM 6689 C CB . MET A-6 1 53 . 47.697 12.365 3.244 1 12.67 ? CB MET A-6 53 1 
ATOM 6690 C CG . MET A-6 1 53 . 48.441 11.937 4.472 1 14.19 ? CG MET A-6 53 1 
ATOM 6691 S SD . MET A-6 1 53 . 47.537 10.909 5.582 1 14.63 ? SD MET A-6 53 1 
ATOM 6692 C CE . MET A-6 1 53 . 47.663 9.375 4.67 1 18.18 ? CE MET A-6 53 1 
ATOM 6693 H H . MET A-6 1 53 . 47.094 13.21 0.941 1 14.29 ? H MET A-6 53 1 
ATOM 6694 H HA . MET A-6 1 53 . 48.956 13.905 2.743 1 13.43 ? HA MET A-6 53 1 
ATOM 6695 H HB2 . MET A-6 1 53 . 46.945 12.908 3.527 1 15.2 ? HB2 MET A-6 53 1 
ATOM 6696 H HB3 . MET A-6 1 53 . 47.377 11.565 2.798 1 15.2 ? HB3 MET A-6 53 1 
ATOM 6697 H HG2 . MET A-6 1 53 . 49.231 11.445 4.198 1 17.02 ? HG2 MET A-6 53 1 
ATOM 6698 H HG3 . MET A-6 1 53 . 48.707 12.73 4.962 1 17.02 ? HG3 MET A-6 53 1 
ATOM 6699 H HE1 . MET A-6 1 53 . 47.256 9.492 3.797 1 21.81 ? HE1 MET A-6 53 1 
ATOM 6700 H HE2 . MET A-6 1 53 . 48.6 9.143 4.57 1 21.81 ? HE2 MET A-6 53 1 
ATOM 6701 H HE3 . MET A-6 1 53 . 47.201 8.677 5.161 1 21.81 ? HE3 MET A-6 53 1 
ATOM 6702 N N . VAL A-6 1 54 . 50.875 12.725 1.827 1 10.52 ? N VAL A-6 54 1 
ATOM 6703 C CA . VAL A-6 1 54 . 52.029 12.068 1.242 1 10.41 ? CA VAL A-6 54 1 
ATOM 6704 C C . VAL A-6 1 54 . 52.742 11.282 2.349 1 9.87 ? C VAL A-6 54 1 
ATOM 6705 O O . VAL A-6 1 54 . 53.155 11.874 3.357 1 10.81 ? O VAL A-6 54 1 
ATOM 6706 C CB . VAL A-6 1 54 . 52.991 13.072 0.615 1 11.32 ? CB VAL A-6 54 1 
ATOM 6707 C CG1 . VAL A-6 1 54 . 54.079 12.338 -0.154 1 11.79 ? CG1 VAL A-6 54 1 
ATOM 6708 C CG2 . VAL A-6 1 54 . 52.255 14.08 -0.282 1 12.8 ? CG2 VAL A-6 54 1 
ATOM 6709 H H . VAL A-6 1 54 . 51.088 13.411 2.3 1 12.63 ? H VAL A-6 54 1 
ATOM 6710 H HA . VAL A-6 1 54 . 51.739 11.446 0.557 1 12.49 ? HA VAL A-6 54 1 
ATOM 6711 H HB . VAL A-6 1 54 . 53.422 13.572 1.326 1 13.59 ? HB VAL A-6 54 1 
ATOM 6712 H HG11 . VAL A-6 1 54 . 54.682 12.989 -0.546 1 14.15 ? HG11 VAL A-6 54 1 
ATOM 6713 H HG12 . VAL A-6 1 54 . 54.564 11.763 0.458 1 14.15 ? HG12 VAL A-6 54 1 
ATOM 6714 H HG13 . VAL A-6 1 54 . 53.666 11.805 -0.852 1 14.15 ? HG13 VAL A-6 54 1 
ATOM 6715 H HG21 . VAL A-6 1 54 . 51.308 13.876 -0.274 1 15.36 ? HG21 VAL A-6 54 1 
ATOM 6716 H HG22 . VAL A-6 1 54 . 52.405 14.975 0.06 1 15.36 ? HG22 VAL A-6 54 1 
ATOM 6717 H HG23 . VAL A-6 1 54 . 52.602 14.009 -1.186 1 15.36 ? HG23 VAL A-6 54 1 
ATOM 6718 N N . TYR A-6 1 55 . 52.926 9.991 2.168 1 9.77 ? N TYR A-6 55 1 
ATOM 6719 C CA . TYR A-6 1 55 . 53.709 9.23 3.12 1 9.91 ? CA TYR A-6 55 1 
ATOM 6720 C C . TYR A-6 1 55 . 55.19 9.523 2.94 1 9.35 ? C TYR A-6 55 1 
ATOM 6721 O O . TYR A-6 1 55 . 55.73 9.422 1.839 1 10.14 ? O TYR A-6 55 1 
ATOM 6722 C CB . TYR A-6 1 55 . 53.457 7.714 2.988 1 10.52 ? CB TYR A-6 55 1 
ATOM 6723 C CG . TYR A-6 1 55 . 52.165 7.291 3.63 1 10.51 ? CG TYR A-6 55 1 
ATOM 6724 C CD1 . TYR A-6 1 55 . 52.132 7.063 4.997 1 11.17 ? CD1 TYR A-6 55 1 
ATOM 6725 C CD2 . TYR A-6 1 55 . 51.017 7.125 2.932 1 11.78 ? CD2 TYR A-6 55 1 
ATOM 6726 C CE1 . TYR A-6 1 55 . 50.947 6.716 5.642 1 11.38 ? CE1 TYR A-6 55 1 
ATOM 6727 C CE2 . TYR A-6 1 55 . 49.832 6.755 3.55 1 13.21 ? CE2 TYR A-6 55 1 
ATOM 6728 C CZ . TYR A-6 1 55 . 49.796 6.567 4.921 1 11.74 ? CZ TYR A-6 55 1 
ATOM 6729 O OH . TYR A-6 1 55 . 48.591 6.259 5.496 1 12.99 ? OH TYR A-6 55 1 
ATOM 6730 H H . TYR A-6 1 55 . 52.613 9.534 1.511 1 11.72 ? H TYR A-6 55 1 
ATOM 6731 H HA . TYR A-6 1 55 . 53.459 9.497 4.018 1 11.89 ? HA TYR A-6 55 1 
ATOM 6732 H HB2 . TYR A-6 1 55 . 53.416 7.48 2.047 1 12.62 ? HB2 TYR A-6 55 1 
ATOM 6733 H HB3 . TYR A-6 1 55 . 54.18 7.233 3.42 1 12.62 ? HB3 TYR A-6 55 1 
ATOM 6734 H HD1 . TYR A-6 1 55 . 52.906 7.186 5.499 1 13.41 ? HD1 TYR A-6 55 1 
ATOM 6735 H HD2 . TYR A-6 1 55 . 51.021 7.271 2.013 1 14.14 ? HD2 TYR A-6 55 1 
ATOM 6736 H HE1 . TYR A-6 1 55 . 50.939 6.588 6.564 1 13.66 ? HE1 TYR A-6 55 1 
ATOM 6737 H HE2 . TYR A-6 1 55 . 49.053 6.675 3.049 1 15.85 ? HE2 TYR A-6 55 1 
ATOM 6738 H HH . TYR A-6 1 55 . 47.996 6.208 4.905 1 15.59 ? HH TYR A-6 55 1 
ATOM 6739 N N . LYS A-6 1 56 . 55.872 9.835 4.034 1 9.85 ? N LYS A-6 56 1 
ATOM 6740 C CA . LYS A-6 1 56 . 57.318 10.09 3.951 1 10.21 ? CA LYS A-6 56 1 
ATOM 6741 C C . LYS A-6 1 56 . 58.079 8.945 3.355 1 10.14 ? C LYS A-6 56 1 
ATOM 6742 O O . LYS A-6 1 56 . 59.049 9.168 2.648 1 10.4 ? O LYS A-6 56 1 
ATOM 6743 C CB . LYS A-6 1 56 . 57.866 10.425 5.323 1 10.61 ? CB LYS A-6 56 1 
ATOM 6744 C CG . LYS A-6 1 56 . 57.424 11.746 5.892 1 10.86 ? CG LYS A-6 56 1 
ATOM 6745 C CD . LYS A-6 1 56 . 58.025 11.922 7.287 1 12.11 ? CD LYS A-6 56 1 
ATOM 6746 C CE . LYS A-6 1 56 . 57.591 13.159 7.969 1 12.75 ? CE LYS A-6 56 1 
ATOM 6747 N NZ . LYS A-6 1 56 . 58.241 13.232 9.306 1 13.6 ? NZ LYS A-6 56 1 
ATOM 6748 H H . LYS A-6 1 56 . 55.536 9.907 4.823 1 11.83 ? H LYS A-6 56 1 
ATOM 6749 H HA . LYS A-6 1 56 . 57.461 10.863 3.382 1 12.26 ? HA LYS A-6 56 1 
ATOM 6750 H HB2 . LYS A-6 1 56 . 57.585 9.734 5.943 1 12.73 ? HB2 LYS A-6 56 1 
ATOM 6751 H HB3 . LYS A-6 1 56 . 58.835 10.439 5.272 1 12.73 ? HB3 LYS A-6 56 1 
ATOM 6752 H HG2 . LYS A-6 1 56 . 57.741 12.468 5.325 1 13.03 ? HG2 LYS A-6 56 1 
ATOM 6753 H HG3 . LYS A-6 1 56 . 56.458 11.765 5.965 1 13.03 ? HG3 LYS A-6 56 1 
ATOM 6754 H HD2 . LYS A-6 1 56 . 57.759 11.17 7.839 1 14.53 ? HD2 LYS A-6 56 1 
ATOM 6755 H HD3 . LYS A-6 1 56 . 58.991 11.948 7.211 1 14.53 ? HD3 LYS A-6 56 1 
ATOM 6756 H HE2 . LYS A-6 1 56 . 57.861 13.932 7.449 1 15.3 ? HE2 LYS A-6 56 1 
ATOM 6757 H HE3 . LYS A-6 1 56 . 56.629 13.145 8.091 1 15.3 ? HE3 LYS A-6 56 1 
ATOM 6758 H HZ1 . LYS A-6 1 56 . 57.988 13.974 9.727 1 16.32 ? HZ1 LYS A-6 56 1 
ATOM 6759 H HZ2 . LYS A-6 1 56 . 58.008 12.527 9.796 1 16.32 ? HZ2 LYS A-6 56 1 
ATOM 6760 H HZ3 . LYS A-6 1 56 . 59.127 13.241 9.213 1 16.32 ? HZ3 LYS A-6 56 1 
ATOM 6761 N N . HIS A-6 1 57 . 57.667 7.692 3.62 1 10.56 ? N HIS A-6 57 1 
ATOM 6762 C CA . HIS A-6 1 57 . 58.382 6.552 3.082 1 10.98 ? CA HIS A-6 57 1 
ATOM 6763 C C . HIS A-6 1 57 . 58.429 6.58 1.543 1 11.29 ? C HIS A-6 57 1 
ATOM 6764 O O . HIS A-6 1 57 . 59.281 5.89 0.953 1 12.96 ? O HIS A-6 57 1 
ATOM 6765 C CB . HIS A-6 1 57 . 57.817 5.208 3.588 1 11.81 ? CB HIS A-6 57 1 
ATOM 6766 C CG . HIS A-6 1 57 . 56.374 4.965 3.264 1 11.05 ? CG HIS A-6 57 1 
ATOM 6767 N ND1 . HIS A-6 1 57 . 55.443 4.783 4.266 1 11.67 ? ND1 HIS A-6 57 1 
ATOM 6768 C CD2 . HIS A-6 1 57 . 55.73 4.861 2.083 1 11.25 ? CD2 HIS A-6 57 1 
ATOM 6769 C CE1 . HIS A-6 1 57 . 54.291 4.57 3.675 1 11.27 ? CE1 HIS A-6 57 1 
ATOM 6770 N NE2 . HIS A-6 1 57 . 54.437 4.588 2.368 1 10.91 ? NE2 HIS A-6 57 1 
ATOM 6771 H H . HIS A-6 1 57 . 56.984 7.492 4.103 1 12.67 ? H HIS A-6 57 1 
ATOM 6772 H HA . HIS A-6 1 57 . 59.3 6.604 3.392 1 13.18 ? HA HIS A-6 57 1 
ATOM 6773 H HB2 . HIS A-6 1 57 . 58.331 4.488 3.191 1 14.17 ? HB2 HIS A-6 57 1 
ATOM 6774 H HB3 . HIS A-6 1 57 . 57.908 5.179 4.553 1 14.17 ? HB3 HIS A-6 57 1 
ATOM 6775 H HD2 . HIS A-6 1 57 . 56.11 4.925 1.237 1 13.5 ? HD2 HIS A-6 57 1 
ATOM 6776 H HE1 . HIS A-6 1 57 . 53.488 4.416 4.118 1 13.52 ? HE1 HIS A-6 57 1 
ATOM 6777 H HE2 . HIS A-6 1 57 . 53.807 4.49 1.792 1 13.1 ? HE2 HIS A-6 57 1 
ATOM 6778 N N . ALA A-6 1 58 . 57.518 7.299 0.905 1 10.26 ? N ALA A-6 58 1 
ATOM 6779 C CA . ALA A-6 1 58 . 57.453 7.407 -0.543 1 11.36 ? CA ALA A-6 58 1 
ATOM 6780 C C . ALA A-6 1 58 . 58.257 8.598 -1.09 1 10.37 ? C ALA A-6 58 1 
ATOM 6781 O O . ALA A-6 1 58 . 58.323 8.751 -2.287 1 12.76 ? O ALA A-6 58 1 
ATOM 6782 C CB . ALA A-6 1 58 . 56.03 7.51 -1.013 1 12.21 ? CB ALA A-6 58 1 
ATOM 6783 H H . ALA A-6 1 58 . 56.906 7.75 1.305 1 12.31 ? H ALA A-6 58 1 
ATOM 6784 H HA . ALA A-6 1 58 . 57.828 6.6 -0.929 1 13.63 ? HA ALA A-6 58 1 
ATOM 6785 H HB1 . ALA A-6 1 58 . 55.625 8.299 -0.619 1 14.65 ? HB1 ALA A-6 58 1 
ATOM 6786 H HB2 . ALA A-6 1 58 . 56.021 7.581 -1.98 1 14.65 ? HB2 ALA A-6 58 1 
ATOM 6787 H HB3 . ALA A-6 1 58 . 55.547 6.717 -0.734 1 14.65 ? HB3 ALA A-6 58 1 
ATOM 6788 N N . ILE A-6 1 59 . 58.778 9.447 -0.209 1 10.15 ? N ILE A-6 59 1 
ATOM 6789 C CA . ILE A-6 1 59 . 59.462 10.663 -0.608 1 10.05 ? CA ILE A-6 59 1 
ATOM 6790 C C . ILE A-6 1 59 . 60.965 10.388 -0.736 1 9.78 ? C ILE A-6 59 1 
ATOM 6791 O O . ILE A-6 1 59 . 61.569 9.789 0.139 1 10.92 ? O ILE A-6 59 1 
ATOM 6792 C CB . ILE A-6 1 59 . 59.224 11.799 0.394 1 10.43 ? CB ILE A-6 59 1 
ATOM 6793 C CG1 . ILE A-6 1 59 . 57.745 12.109 0.505 1 10.78 ? CG1 ILE A-6 59 1 
ATOM 6794 C CG2 . ILE A-6 1 59 . 60.036 13.022 0.019 1 11.19 ? CG2 ILE A-6 59 1 
ATOM 6795 C CD1 . ILE A-6 1 59 . 57.384 13.148 1.544 1 11.69 ? CD1 ILE A-6 59 1 
ATOM 6796 H H . ILE A-6 1 59 . 58.746 9.335 0.643 1 12.18 ? H ILE A-6 59 1 
ATOM 6797 H HA . ILE A-6 1 59 . 59.129 10.946 -1.474 1 12.06 ? HA ILE A-6 59 1 
ATOM 6798 H HB . ILE A-6 1 59 . 59.529 11.496 1.263 1 12.52 ? HB ILE A-6 59 1 
ATOM 6799 H HG12 . ILE A-6 1 59 . 57.432 12.434 -0.354 1 12.93 ? HG12 ILE A-6 59 1 
ATOM 6800 H HG13 . ILE A-6 1 59 . 57.275 11.291 0.734 1 12.93 ? HG13 ILE A-6 59 1 
ATOM 6801 H HG21 . ILE A-6 1 59 . 60.978 12.789 0.021 1 13.43 ? HG21 ILE A-6 59 1 
ATOM 6802 H HG22 . ILE A-6 1 59 . 59.771 13.319 -0.866 1 13.43 ? HG22 ILE A-6 59 1 
ATOM 6803 H HG23 . ILE A-6 1 59 . 59.867 13.724 0.668 1 13.43 ? HG23 ILE A-6 59 1 
ATOM 6804 H HD11 . ILE A-6 1 59 . 57.83 13.98 1.325 1 14.03 ? HD11 ILE A-6 59 1 
ATOM 6805 H HD12 . ILE A-6 1 59 . 56.422 13.276 1.539 1 14.03 ? HD12 ILE A-6 59 1 
ATOM 6806 H HD13 . ILE A-6 1 59 . 57.672 12.836 2.415 1 14.03 ? HD13 ILE A-6 59 1 
ATOM 6807 N N . SER A-6 1 60 . 61.563 10.894 -1.818 1 10.41 ? N SER A-6 60 1 
ATOM 6808 C CA A SER A-6 1 60 . 63.01 10.914 -1.902 0.61 10.91 ? CA SER A-6 60 1 
ATOM 6809 C CA B SER A-6 1 60 . 63.011 10.973 -1.993 0.39 11.11 ? CA SER A-6 60 1 
ATOM 6810 C C . SER A-6 1 60 . 63.581 12.256 -1.406 1 10.65 ? C SER A-6 60 1 
ATOM 6811 O O . SER A-6 1 60 . 64.462 12.222 -0.557 1 11.63 ? O SER A-6 60 1 
ATOM 6812 C CB A SER A-6 1 60 . 63.473 10.607 -3.322 0.61 11.58 ? CB SER A-6 60 1 
ATOM 6813 C CB B SER A-6 1 60 . 63.381 10.948 -3.469 0.39 15.38 ? CB SER A-6 60 1 
ATOM 6814 O OG A SER A-6 1 60 . 63.057 11.641 -4.17 0.61 13.75 ? OG SER A-6 60 1 
ATOM 6815 O OG B SER A-6 1 60 . 63.177 9.688 -4.028 0.39 19.4 ? OG SER A-6 60 1 
ATOM 6816 H H A SER A-6 1 60 . 61.156 11.223 -2.501 0.61 12.49 ? H SER A-6 60 1 
ATOM 6817 H H B SER A-6 1 60 . 61.128 11.21 -2.49 0.39 12.49 ? H SER A-6 60 1 
ATOM 6818 H HA A SER A-6 1 60 . 63.36 10.218 -1.324 0.61 13.09 ? HA SER A-6 60 1 
ATOM 6819 H HA B SER A-6 1 60 . 63.433 10.217 -1.555 0.39 13.33 ? HA SER A-6 60 1 
ATOM 6820 H HB2 A SER A-6 1 60 . 64.44 10.544 -3.34 0.61 13.9 ? HB2 SER A-6 60 1 
ATOM 6821 H HB2 B SER A-6 1 60 . 62.831 11.593 -3.941 0.39 18.46 ? HB2 SER A-6 60 1 
ATOM 6822 H HB3 A SER A-6 1 60 . 63.076 9.771 -3.616 0.61 13.9 ? HB3 SER A-6 60 1 
ATOM 6823 H HB3 B SER A-6 1 60 . 64.318 11.184 -3.561 0.39 18.46 ? HB3 SER A-6 60 1 
ATOM 6824 H HG A SER A-6 1 60 . 63.391 12.369 -3.919 0.61 16.5 ? HG SER A-6 60 1 
ATOM 6825 H HG B SER A-6 1 60 . 63.649 9.118 -3.63 0.39 23.28 ? HG SER A-6 60 1 
ATOM 6826 N N . THR A-6 1 61 . 63.103 13.379 -1.934 1 11.45 ? N THR A-6 61 1 
ATOM 6827 C CA A THR A-6 1 61 . 63.651 14.677 -1.596 0.57 11.52 ? CA THR A-6 61 1 
ATOM 6828 C CA B THR A-6 1 61 . 63.655 14.642 -1.534 0.43 12.95 ? CA THR A-6 61 1 
ATOM 6829 C C . THR A-6 1 61 . 62.56 15.708 -1.526 1 11.9 ? C THR A-6 61 1 
ATOM 6830 O O . THR A-6 1 61 . 61.535 15.65 -2.209 1 13.99 ? O THR A-6 61 1 
ATOM 6831 C CB A THR A-6 1 61 . 64.648 15.205 -2.637 0.57 13.95 ? CB THR A-6 61 1 
ATOM 6832 C CB B THR A-6 1 61 . 64.861 14.957 -2.454 0.43 14.74 ? CB THR A-6 61 1 
ATOM 6833 O OG1 A THR A-6 1 61 . 63.944 15.445 -3.852 0.57 19.51 ? OG1 THR A-6 61 1 
ATOM 6834 O OG1 B THR A-6 1 61 . 65.577 16.118 -2.027 0.43 14.55 ? OG1 THR A-6 61 1 
ATOM 6835 C CG2 A THR A-6 1 61 . 65.777 14.244 -2.868 0.57 13.93 ? CG2 THR A-6 61 1 
ATOM 6836 C CG2 B THR A-6 1 61 . 64.37 15.112 -3.812 0.43 19.74 ? CG2 THR A-6 61 1 
ATOM 6837 H H A THR A-6 1 61 . 62.454 13.41 -2.497 0.57 13.73 ? H THR A-6 61 1 
ATOM 6838 H H B THR A-6 1 61 . 62.471 13.425 -2.515 0.43 13.73 ? H THR A-6 61 1 
ATOM 6839 H HA A THR A-6 1 61 . 64.093 14.632 -0.734 0.57 13.82 ? HA THR A-6 61 1 
ATOM 6840 H HA B THR A-6 1 61 . 63.991 14.562 -0.627 0.43 15.54 ? HA THR A-6 61 1 
ATOM 6841 H HB A THR A-6 1 61 . 65.025 16.041 -2.318 0.57 16.74 ? HB THR A-6 61 1 
ATOM 6842 H HB B THR A-6 1 61 . 65.466 14.198 -2.444 0.43 17.69 ? HB THR A-6 61 1 
ATOM 6843 H HG1 A THR A-6 1 61 . 63.596 14.733 -4.128 0.57 23.41 ? HG1 THR A-6 61 1 
ATOM 6844 H HG1 B THR A-6 1 61 . 65.871 16.004 -1.248 0.43 17.46 ? HG1 THR A-6 61 1 
ATOM 6845 H HG21 A THR A-6 1 61 . 66.26 14.093 -2.04 0.57 16.72 ? HG21 THR A-6 61 1 
ATOM 6846 H HG21 B THR A-6 1 61 . 63.728 15.838 -3.851 0.43 23.69 ? HG21 THR A-6 61 1 
ATOM 6847 H HG22 A THR A-6 1 61 . 65.43 13.397 -3.189 0.57 16.72 ? HG22 THR A-6 61 1 
ATOM 6848 H HG22 B THR A-6 1 61 . 65.106 15.31 -4.411 0.43 23.69 ? HG22 THR A-6 61 1 
ATOM 6849 H HG23 A THR A-6 1 61 . 66.389 14.604 -3.529 0.57 16.72 ? HG23 THR A-6 61 1 
ATOM 6850 H HG23 B THR A-6 1 61 . 63.938 14.294 -4.104 0.43 23.69 ? HG23 THR A-6 61 1 
ATOM 6851 N N . VAL A-6 1 62 . 62.782 16.69 -0.652 1 12.18 ? N VAL A-6 62 1 
ATOM 6852 C CA . VAL A-6 1 62 . 61.964 17.882 -0.517 1 12.02 ? CA VAL A-6 62 1 
ATOM 6853 C C . VAL A-6 1 62 . 62.835 19.075 -0.902 1 12.58 ? C VAL A-6 62 1 
ATOM 6854 O O . VAL A-6 1 62 . 63.88 19.301 -0.271 1 13.71 ? O VAL A-6 62 1 
ATOM 6855 C CB . VAL A-6 1 62 . 61.377 18.02 0.891 1 13.06 ? CB VAL A-6 62 1 
ATOM 6856 C CG1 . VAL A-6 1 62 . 60.524 19.321 1.019 1 15.06 ? CG1 VAL A-6 62 1 
ATOM 6857 C CG2 . VAL A-6 1 62 . 60.563 16.799 1.294 1 14.86 ? CG2 VAL A-6 62 1 
ATOM 6858 H H . VAL A-6 1 62 . 63.44 16.68 -0.099 1 14.62 ? H VAL A-6 62 1 
ATOM 6859 H HA . VAL A-6 1 62 . 61.227 17.833 -1.145 1 14.42 ? HA VAL A-6 62 1 
ATOM 6860 H HB . VAL A-6 1 62 . 62.111 18.094 1.519 1 15.67 ? HB VAL A-6 62 1 
ATOM 6861 H HG11 . VAL A-6 1 62 . 60.536 19.792 0.171 1 18.08 ? HG11 VAL A-6 62 1 
ATOM 6862 H HG12 . VAL A-6 1 62 . 59.614 19.08 1.252 1 18.08 ? HG12 VAL A-6 62 1 
ATOM 6863 H HG13 . VAL A-6 1 62 . 60.906 19.881 1.713 1 18.08 ? HG13 VAL A-6 62 1 
ATOM 6864 H HG21 . VAL A-6 1 62 . 60.575 16.158 0.567 1 17.83 ? HG21 VAL A-6 62 1 
ATOM 6865 H HG22 . VAL A-6 1 62 . 60.958 16.406 2.089 1 17.83 ? HG22 VAL A-6 62 1 
ATOM 6866 H HG23 . VAL A-6 1 62 . 59.652 17.075 1.478 1 17.83 ? HG23 VAL A-6 62 1 
ATOM 6867 N N . VAL A-6 1 63 . 62.436 19.829 -1.925 1 13.42 ? N VAL A-6 63 1 
ATOM 6868 C CA . VAL A-6 1 63 . 63.227 20.875 -2.515 1 14.03 ? CA VAL A-6 63 1 
ATOM 6869 C C . VAL A-6 1 63 . 62.458 22.198 -2.423 1 13.78 ? C VAL A-6 63 1 
ATOM 6870 O O . VAL A-6 1 63 . 61.44 22.358 -3.093 1 14.74 ? O VAL A-6 63 1 
ATOM 6871 C CB . VAL A-6 1 63 . 63.613 20.577 -3.962 1 15.65 ? CB VAL A-6 63 1 
ATOM 6872 C CG1 . VAL A-6 1 63 . 64.544 21.678 -4.498 1 18.46 ? CG1 VAL A-6 63 1 
ATOM 6873 C CG2 . VAL A-6 1 63 . 64.265 19.218 -4.105 1 17.75 ? CG2 VAL A-6 63 1 
ATOM 6874 H H . VAL A-6 1 63 . 61.67 19.738 -2.304 1 16.1 ? H VAL A-6 63 1 
ATOM 6875 H HA . VAL A-6 1 63 . 64.046 20.973 -2.004 1 16.84 ? HA VAL A-6 63 1 
ATOM 6876 H HB . VAL A-6 1 63 . 62.81 20.579 -4.505 1 18.78 ? HB VAL A-6 63 1 
ATOM 6877 H HG11 . VAL A-6 1 63 . 64.691 22.335 -3.799 1 22.16 ? HG11 VAL A-6 63 1 
ATOM 6878 H HG12 . VAL A-6 1 63 . 65.388 21.278 -4.759 1 22.16 ? HG12 VAL A-6 63 1 
ATOM 6879 H HG13 . VAL A-6 1 63 . 64.125 22.099 -5.265 1 22.16 ? HG13 VAL A-6 63 1 
ATOM 6880 H HG21 . VAL A-6 1 63 . 64.31 18.796 -3.233 1 21.3 ? HG21 VAL A-6 63 1 
ATOM 6881 H HG22 . VAL A-6 1 63 . 63.735 18.676 -4.709 1 21.3 ? HG22 VAL A-6 63 1 
ATOM 6882 H HG23 . VAL A-6 1 63 . 65.159 19.334 -4.463 1 21.3 ? HG23 VAL A-6 63 1 
ATOM 6883 N N A PRO A-6 1 64 . 62.897 23.15 -1.593 0.4 14.41 ? N PRO A-6 64 1 
ATOM 6884 N N B PRO A-6 1 64 . 62.9 23.142 -1.597 0.6 14.29 ? N PRO A-6 64 1 
ATOM 6885 C CA A PRO A-6 1 64 . 62.156 24.408 -1.595 0.4 16.01 ? CA PRO A-6 64 1 
ATOM 6886 C CA B PRO A-6 1 64 . 62.267 24.447 -1.505 0.6 13.64 ? CA PRO A-6 64 1 
ATOM 6887 C C A PRO A-6 1 64 . 62.382 25.177 -2.872 0.4 17.1 ? C PRO A-6 64 1 
ATOM 6888 C C B PRO A-6 1 64 . 62.434 25.217 -2.813 0.6 12.57 ? C PRO A-6 64 1 
ATOM 6889 O O A PRO A-6 1 64 . 63.374 25.021 -3.554 0.4 20.68 ? O PRO A-6 64 1 
ATOM 6890 O O B PRO A-6 1 64 . 63.494 25.125 -3.444 0.6 13.17 ? O PRO A-6 64 1 
ATOM 6891 C CB A PRO A-6 1 64 . 62.745 25.171 -0.417 0.4 18.1 ? CB PRO A-6 64 1 
ATOM 6892 C CB B PRO A-6 1 64 . 63.086 25.107 -0.377 0.6 15.69 ? CB PRO A-6 64 1 
ATOM 6893 C CG A PRO A-6 1 64 . 64.142 24.637 -0.298 0.4 17.92 ? CG PRO A-6 64 1 
ATOM 6894 C CG B PRO A-6 1 64 . 63.722 23.97 0.385 0.6 15.77 ? CG PRO A-6 64 1 
ATOM 6895 C CD A PRO A-6 1 64 . 64.058 23.185 -0.685 0.4 15.84 ? CD PRO A-6 64 1 
ATOM 6896 C CD B PRO A-6 1 64 . 64.036 23.005 -0.662 0.6 15.97 ? CD PRO A-6 64 1 
ATOM 6897 H HA A PRO A-6 1 64 . 61.208 24.258 -1.456 0.4 19.21 ? HA PRO A-6 64 1 
ATOM 6898 H HA B PRO A-6 1 64 . 61.333 24.378 -1.258 0.6 16.37 ? HA PRO A-6 64 1 
ATOM 6899 H HB2 A PRO A-6 1 64 . 62.754 26.121 -0.61 0.4 21.72 ? HB2 PRO A-6 64 1 
ATOM 6900 H HB2 B PRO A-6 1 64 . 63.766 25.682 -0.762 0.6 18.82 ? HB2 PRO A-6 64 1 
ATOM 6901 H HB3 A PRO A-6 1 64 . 62.234 24.984 0.385 0.4 21.72 ? HB3 PRO A-6 64 1 
ATOM 6902 H HB3 B PRO A-6 1 64 . 62.495 25.614 0.199 0.6 18.82 ? HB3 PRO A-6 64 1 
ATOM 6903 H HG2 A PRO A-6 1 64 . 64.726 25.118 -0.904 0.4 21.51 ? HG2 PRO A-6 64 1 
ATOM 6904 H HG2 B PRO A-6 1 64 . 64.529 24.278 0.828 0.6 18.93 ? HG2 PRO A-6 64 1 
ATOM 6905 H HG3 A PRO A-6 1 64 . 64.449 24.729 0.618 0.4 21.51 ? HG3 PRO A-6 64 1 
ATOM 6906 H HG3 B PRO A-6 1 64 . 63.091 23.601 1.022 0.6 18.93 ? HG3 PRO A-6 64 1 
ATOM 6907 H HD2 A PRO A-6 1 64 . 64.862 22.911 -1.152 0.4 19.01 ? HD2 PRO A-6 64 1 
ATOM 6908 H HD2 B PRO A-6 1 64 . 64.867 23.241 -1.103 0.6 19.17 ? HD2 PRO A-6 64 1 
ATOM 6909 H HD3 A PRO A-6 1 64 . 63.894 22.634 0.097 0.4 19.01 ? HD3 PRO A-6 64 1 
ATOM 6910 H HD3 B PRO A-6 1 64 . 64.067 22.107 -0.297 0.6 19.17 ? HD3 PRO A-6 64 1 
ATOM 6911 N N . SER A-6 1 65 . 61.424 26.024 -3.178 1 14.69 ? N SER A-6 65 1 
ATOM 6912 C CA . SER A-6 1 65 . 61.54 26.865 -4.357 1 15.84 ? CA SER A-6 65 1 
ATOM 6913 C C . SER A-6 1 65 . 62.493 28.041 -4.155 1 16.17 ? C SER A-6 65 1 
ATOM 6914 O O . SER A-6 1 65 . 62.896 28.643 -5.161 1 18.72 ? O SER A-6 65 1 
ATOM 6915 C CB . SER A-6 1 65 . 60.163 27.338 -4.805 1 17.43 ? CB SER A-6 65 1 
ATOM 6916 O OG . SER A-6 1 65 . 59.604 28.123 -3.779 1 18.35 ? OG SER A-6 65 1 
ATOM 6917 H H A SER A-6 1 65 . 60.701 26.135 -2.726 0.4 17.63 ? H SER A-6 65 1 
ATOM 6918 H H B SER A-6 1 65 . 60.676 26.096 -2.759 0.6 17.63 ? H SER A-6 65 1 
ATOM 6919 H HA . SER A-6 1 65 . 61.904 26.325 -5.076 1 19.01 ? HA SER A-6 65 1 
ATOM 6920 H HB2 . SER A-6 1 65 . 60.252 27.873 -5.61 1 20.92 ? HB2 SER A-6 65 1 
ATOM 6921 H HB3 . SER A-6 1 65 . 59.595 26.569 -4.97 1 20.92 ? HB3 SER A-6 65 1 
ATOM 6922 H HG . SER A-6 1 65 . 58.843 28.395 -4.007 1 22.02 ? HG SER A-6 65 1 
ATOM 6923 N N . ARG A-6 1 66 . 62.796 28.376 -2.902 1 16.03 ? N ARG A-6 66 1 
ATOM 6924 C CA . ARG A-6 1 66 . 63.756 29.439 -2.615 1 17.06 ? CA ARG A-6 66 1 
ATOM 6925 C C . ARG A-6 1 66 . 64.358 29.1 -1.278 1 16.58 ? C ARG A-6 66 1 
ATOM 6926 O O . ARG A-6 1 66 . 63.78 28.289 -0.522 1 16.99 ? O ARG A-6 66 1 
ATOM 6927 C CB . ARG A-6 1 66 . 63.106 30.82 -2.616 1 18.77 ? CB ARG A-6 66 1 
ATOM 6928 C CG . ARG A-6 1 66 . 61.887 30.964 -1.775 1 21 ? CG ARG A-6 66 1 
ATOM 6929 C CD . ARG A-6 1 66 . 62.105 31.302 -0.354 1 24.98 ? CD ARG A-6 66 1 
ATOM 6930 N NE . ARG A-6 1 66 . 60.941 31.883 0.346 1 25.02 ? NE ARG A-6 66 1 
ATOM 6931 C CZ . ARG A-6 1 66 . 60.998 32.246 1.622 1 23.19 ? CZ ARG A-6 66 1 
ATOM 6932 N NH1 . ARG A-6 1 66 . 62.175 32.158 2.29 1 23.76 ? NH1 ARG A-6 66 1 
ATOM 6933 N NH2 . ARG A-6 1 66 . 59.92 32.713 2.214 1 26.1 ? NH2 ARG A-6 66 1 
ATOM 6934 H H . ARG A-6 1 66 . 62.461 28.003 -2.203 1 19.23 ? H ARG A-6 66 1 
ATOM 6935 H HA . ARG A-6 1 66 . 64.461 29.429 -3.281 1 20.47 ? HA ARG A-6 66 1 
ATOM 6936 H HB2 . ARG A-6 1 66 . 63.757 31.464 -2.296 1 22.53 ? HB2 ARG A-6 66 1 
ATOM 6937 H HB3 . ARG A-6 1 66 . 62.857 31.039 -3.528 1 22.53 ? HB3 ARG A-6 66 1 
ATOM 6938 H HG2 . ARG A-6 1 66 . 61.336 31.666 -2.157 1 25.2 ? HG2 ARG A-6 66 1 
ATOM 6939 H HG3 . ARG A-6 1 66 . 61.401 30.126 -1.8 1 25.2 ? HG3 ARG A-6 66 1 
ATOM 6940 H HD2 . ARG A-6 1 66 . 62.356 30.494 0.119 1 29.97 ? HD2 ARG A-6 66 1 
ATOM 6941 H HD3 . ARG A-6 1 66 . 62.829 31.946 -0.3 1 29.97 ? HD3 ARG A-6 66 1 
ATOM 6942 H HE . ARG A-6 1 66 . 60.298 32.196 -0.133 1 30.03 ? HE ARG A-6 66 1 
ATOM 6943 H HH11 . ARG A-6 1 66 . 62.87 31.84 1.897 1 28.51 ? HH11 ARG A-6 66 1 
ATOM 6944 H HH12 . ARG A-6 1 66 . 62.221 32.402 3.114 1 28.51 ? HH12 ARG A-6 66 1 
ATOM 6945 H HH21 . ARG A-6 1 66 . 59.183 32.781 1.775 1 31.32 ? HH21 ARG A-6 66 1 
ATOM 6946 H HH22 . ARG A-6 1 66 . 59.958 32.977 3.032 1 31.32 ? HH22 ARG A-6 66 1 
ATOM 6947 N N . PRO A-6 1 67 . 65.504 29.684 -0.928 1 18.26 ? N PRO A-6 67 1 
ATOM 6948 C CA . PRO A-6 1 67 . 66.133 29.352 0.351 1 18.44 ? CA PRO A-6 67 1 
ATOM 6949 C C . PRO A-6 1 67 . 65.261 29.77 1.519 1 18.03 ? C PRO A-6 67 1 
ATOM 6950 O O . PRO A-6 1 67 . 64.555 30.762 1.441 1 18.98 ? O PRO A-6 67 1 
ATOM 6951 C CB . PRO A-6 1 67 . 67.444 30.177 0.313 1 20.51 ? CB PRO A-6 67 1 
ATOM 6952 C CG . PRO A-6 1 67 . 67.732 30.365 -1.134 1 20.52 ? CG PRO A-6 67 1 
ATOM 6953 C CD . PRO A-6 1 67 . 66.353 30.547 -1.76 1 19.37 ? CD PRO A-6 67 1 
ATOM 6954 H HA . PRO A-6 1 67 . 66.335 28.405 0.406 1 22.12 ? HA PRO A-6 67 1 
ATOM 6955 H HB2 . PRO A-6 1 67 . 67.307 31.031 0.751 1 24.62 ? HB2 PRO A-6 67 1 
ATOM 6956 H HB3 . PRO A-6 1 67 . 68.157 29.679 0.744 1 24.62 ? HB3 PRO A-6 67 1 
ATOM 6957 H HG2 . PRO A-6 1 67 . 68.278 31.156 -1.262 1 24.62 ? HG2 PRO A-6 67 1 
ATOM 6958 H HG3 . PRO A-6 1 67 . 68.173 29.577 -1.489 1 24.62 ? HG3 PRO A-6 67 1 
ATOM 6959 H HD2 . PRO A-6 1 67 . 66.068 31.471 -1.691 1 23.24 ? HD2 PRO A-6 67 1 
ATOM 6960 H HD3 . PRO A-6 1 67 . 66.353 30.24 -2.68 1 23.24 ? HD3 PRO A-6 67 1 
ATOM 6961 N N . VAL A-6 1 68 . 65.363 29.032 2.616 1 19.92 ? N VAL A-6 68 1 
ATOM 6962 C CA A VAL A-6 1 68 . 64.567 29.278 3.81 0.69 20.3 ? CA VAL A-6 68 1 
ATOM 6963 C CA B VAL A-6 1 68 . 64.571 29.317 3.8 0.31 22.7 ? CA VAL A-6 68 1 
ATOM 6964 C C . VAL A-6 1 68 . 65.436 29.225 5.04 1 20.4 ? C VAL A-6 68 1 
ATOM 6965 O O . VAL A-6 1 68 . 66.332 28.386 5.129 1 22.58 ? O VAL A-6 68 1 
ATOM 6966 C CB A VAL A-6 1 68 . 63.372 28.273 3.911 0.69 22.01 ? CB VAL A-6 68 1 
ATOM 6967 C CB B VAL A-6 1 68 . 63.381 28.341 3.921 0.31 27.12 ? CB VAL A-6 68 1 
ATOM 6968 C CG1 A VAL A-6 1 68 . 63.847 26.879 4.307 0.69 23.66 ? CG1 VAL A-6 68 1 
ATOM 6969 C CG1 B VAL A-6 1 68 . 62.398 28.831 4.972 0.31 30.01 ? CG1 VAL A-6 68 1 
ATOM 6970 C CG2 A VAL A-6 1 68 . 62.294 28.796 4.868 0.69 26.25 ? CG2 VAL A-6 68 1 
ATOM 6971 C CG2 B VAL A-6 1 68 . 62.685 28.192 2.572 0.31 27.34 ? CG2 VAL A-6 68 1 
ATOM 6972 H H A VAL A-6 1 68 . 65.902 28.366 2.695 0.69 23.9 ? H VAL A-6 68 1 
ATOM 6973 H H B VAL A-6 1 68 . 65.888 28.356 2.699 0.31 23.9 ? H VAL A-6 68 1 
ATOM 6974 H HA A VAL A-6 1 68 . 64.194 30.171 3.753 0.69 24.36 ? HA VAL A-6 68 1 
ATOM 6975 H HA B VAL A-6 1 68 . 64.22 30.219 3.74 0.31 27.24 ? HA VAL A-6 68 1 
ATOM 6976 H HB A VAL A-6 1 68 . 62.964 28.199 3.034 0.69 26.41 ? HB VAL A-6 68 1 
ATOM 6977 H HB B VAL A-6 1 68 . 63.707 27.468 4.193 0.31 32.55 ? HB VAL A-6 68 1 
ATOM 6978 H HG11 A VAL A-6 1 68 . 64.811 26.894 4.418 0.69 28.39 ? HG11 VAL A-6 68 1 
ATOM 6979 H HG11 B VAL A-6 1 68 . 61.66 28.203 5.031 0.31 36.01 ? HG11 VAL A-6 68 1 
ATOM 6980 H HG12 A VAL A-6 1 68 . 63.421 26.625 5.141 0.69 28.39 ? HG12 VAL A-6 68 1 
ATOM 6981 H HG12 B VAL A-6 1 68 . 62.853 28.888 5.827 0.31 36.01 ? HG12 VAL A-6 68 1 
ATOM 6982 H HG13 A VAL A-6 1 68 . 63.605 26.253 3.607 0.69 28.39 ? HG13 VAL A-6 68 1 
ATOM 6983 H HG13 B VAL A-6 1 68 . 62.07 29.706 4.713 0.31 36.01 ? HG13 VAL A-6 68 1 
ATOM 6984 H HG21 A VAL A-6 1 68 . 62.575 29.654 5.222 0.69 31.5 ? HG21 VAL A-6 68 1 
ATOM 6985 H HG21 B VAL A-6 1 68 . 61.94 27.576 2.667 0.31 32.81 ? HG21 VAL A-6 68 1 
ATOM 6986 H HG22 A VAL A-6 1 68 . 61.46 28.895 4.381 0.69 31.5 ? HG22 VAL A-6 68 1 
ATOM 6987 H HG22 B VAL A-6 1 68 . 62.361 29.061 2.286 0.31 32.81 ? HG22 VAL A-6 68 1 
ATOM 6988 H HG23 A VAL A-6 1 68 . 62.18 28.161 5.593 0.69 31.5 ? HG23 VAL A-6 68 1 
ATOM 6989 H HG23 B VAL A-6 1 68 . 63.32 27.846 1.926 0.31 32.81 ? HG23 VAL A-6 68 1 
ATOM 6990 N N . SER A-6 1 69 . 65.154 30.098 5.993 1 22.28 ? N SER A-6 69 1 
ATOM 6991 C CA A SER A-6 1 69 . 65.813 30.083 7.293 0.74 25.23 ? CA SER A-6 69 1 
ATOM 6992 C CA B SER A-6 1 69 . 65.835 30.078 7.278 0.26 25.57 ? CA SER A-6 69 1 
ATOM 6993 C C . SER A-6 1 69 . 65.53 28.787 8.009 1 28.28 ? C SER A-6 69 1 
ATOM 6994 O O . SER A-6 1 69 . 64.344 28.387 8.143 1 29.46 ? O SER A-6 69 1 
ATOM 6995 C CB A SER A-6 1 69 . 65.31 31.261 8.12 0.74 27.46 ? CB SER A-6 69 1 
ATOM 6996 C CB B SER A-6 1 69 . 65.406 31.266 8.13 0.26 27.57 ? CB SER A-6 69 1 
ATOM 6997 O OG A SER A-6 1 69 . 65.924 31.28 9.4 0.74 29.62 ? OG SER A-6 69 1 
ATOM 6998 O OG B SER A-6 1 69 . 64.041 31.168 8.493 0.26 29.93 ? OG SER A-6 69 1 
ATOM 6999 H H A SER A-6 1 69 . 64.57 30.724 5.911 0.74 26.74 ? H SER A-6 69 1 
ATOM 7000 H H B SER A-6 1 69 . 64.564 30.72 5.921 0.26 26.74 ? H SER A-6 69 1 
ATOM 7001 H HA A SER A-6 1 69 . 66.771 30.172 7.175 0.74 30.27 ? HA SER A-6 69 1 
ATOM 7002 H HA B SER A-6 1 69 . 66.793 30.131 7.136 0.26 30.69 ? HA SER A-6 69 1 
ATOM 7003 H HB2 A SER A-6 1 69 . 65.522 32.087 7.656 0.74 32.96 ? HB2 SER A-6 69 1 
ATOM 7004 H HB2 B SER A-6 1 69 . 65.945 31.287 8.937 0.26 33.09 ? HB2 SER A-6 69 1 
ATOM 7005 H HB3 A SER A-6 1 69 . 64.35 31.182 8.231 0.74 32.96 ? HB3 SER A-6 69 1 
ATOM 7006 H HB3 B SER A-6 1 69 . 65.538 32.082 7.623 0.26 33.09 ? HB3 SER A-6 69 1 
ATOM 7007 H HG A SER A-6 1 69 . 66.757 31.349 9.318 0.74 35.54 ? HG SER A-6 69 1 
ATOM 7008 H HG B SER A-6 1 69 . 63.819 31.829 8.961 0.26 35.92 ? HG SER A-6 69 1 
ATOM 7009 N N . HIS A-6 1 70 . 66.589 28.099 8.443 1 40.25 ? N HIS A-6 70 1 
ATOM 7010 C CA . HIS A-6 1 70 . 66.443 26.857 9.213 1 58.65 ? CA HIS A-6 70 1 
ATOM 7011 C C . HIS A-6 1 70 . 67.713 26.522 9.983 1 92.95 ? C HIS A-6 70 1 
ATOM 7012 O O . HIS A-6 1 70 . 68.747 27.161 9.796 1 119.89 ? O HIS A-6 70 1 
ATOM 7013 C CB . HIS A-6 1 70 . 66.075 25.681 8.303 1 43.68 ? CB HIS A-6 70 1 
ATOM 7014 C CG . HIS A-6 1 70 . 67.136 25.328 7.308 1 35.21 ? CG HIS A-6 70 1 
ATOM 7015 N ND1 . HIS A-6 1 70 . 67.293 26.005 6.111 1 34.11 ? ND1 HIS A-6 70 1 
ATOM 7016 C CD2 . HIS A-6 1 70 . 68.063 24.333 7.313 1 34.6 ? CD2 HIS A-6 70 1 
ATOM 7017 C CE1 . HIS A-6 1 70 . 68.291 25.454 5.436 1 33.47 ? CE1 HIS A-6 70 1 
ATOM 7018 N NE2 . HIS A-6 1 70 . 68.767 24.434 6.139 1 35.17 ? NE2 HIS A-6 70 1 
ATOM 7019 H H . HIS A-6 1 70 . 67.406 28.331 8.305 1 48.3 ? H HIS A-6 70 1 
ATOM 7020 H HA . HIS A-6 1 70 . 65.726 26.969 9.856 1 70.38 ? HA HIS A-6 70 1 
ATOM 7021 H HB2 . HIS A-6 1 70 . 65.913 24.898 8.853 1 52.41 ? HB2 HIS A-6 70 1 
ATOM 7022 H HB3 . HIS A-6 1 70 . 65.27 25.908 7.81 1 52.41 ? HB3 HIS A-6 70 1 
ATOM 7023 H HD1 . HIS A-6 1 70 . 66.828 26.68 5.854 1 40.93 ? HD1 HIS A-6 70 1 
ATOM 7024 H HD2 . HIS A-6 1 70 . 68.196 23.705 7.986 1 41.52 ? HD2 HIS A-6 70 1 
ATOM 7025 H HE1 . HIS A-6 1 70 . 68.599 25.73 4.604 1 40.16 ? HE1 HIS A-6 70 1 
ATOM 7026 H HE2 . HIS A-6 1 70 . 69.421 23.927 5.903 1 42.21 ? HE2 HIS A-6 70 1 
HETATM 7027 N N1 . U5P B 2 . . 68.301 5.198 9.893 0.8 15.72 ? N1 U5P A 101 1 
HETATM 7028 C C2 . U5P B 2 . . 69.505 5.675 10.375 0.8 16.69 ? C2 U5P A 101 1 
HETATM 7029 N N3 . U5P B 2 . . 69.576 5.874 11.697 0.8 17.6 ? N3 U5P A 101 1 
HETATM 7030 C C4 . U5P B 2 . . 68.586 5.584 12.579 0.8 17.78 ? C4 U5P A 101 1 
HETATM 7031 C C5 . U5P B 2 . . 67.349 5.072 12.055 0.8 18.59 ? C5 U5P A 101 1 
HETATM 7032 C C6 . U5P B 2 . . 67.275 4.907 10.737 0.8 17.23 ? C6 U5P A 101 1 
HETATM 7033 O O2 . U5P B 2 . . 70.388 5.929 9.624 0.8 17.84 ? O2 U5P A 101 1 
HETATM 7034 O O4 . U5P B 2 . . 68.751 5.756 13.805 0.8 21.08 ? O4 U5P A 101 1 
HETATM 7035 C C1' . U5P B 2 . . 68.233 4.927 8.441 0.8 16.85 ? C1' U5P A 101 1 
HETATM 7036 C C2' . U5P B 2 . . 68.233 3.412 8.097 0.8 18.49 ? C2' U5P A 101 1 
HETATM 7037 O O2' . U5P B 2 . . 68.989 3.188 6.907 0.8 22.23 ? O2' U5P A 101 1 
HETATM 7038 C C3' . U5P B 2 . . 66.765 3.163 7.773 0.8 17.27 ? C3' U5P A 101 1 
HETATM 7039 C C4' . U5P B 2 . . 66.417 4.471 7.089 0.8 18.85 ? C4' U5P A 101 1 
HETATM 7040 O O3' . U5P B 2 . . 66.504 1.949 7.017 0.8 21.62 ? O3' U5P A 101 1 
HETATM 7041 O O4' . U5P B 2 . . 67.037 5.455 7.956 0.8 16.58 ? O4' U5P A 101 1 
HETATM 7042 C C5' . U5P B 2 . . 65.002 4.797 6.797 0.8 25.33 ? C5' U5P A 101 1 
HETATM 7043 O O5' . U5P B 2 . . 64.209 4.5 7.884 0.8 29.02 ? O5' U5P A 101 1 
HETATM 7044 P P . U5P B 2 . . 62.666 4.208 7.605 0.8 27.85 ? P U5P A 101 1 
HETATM 7045 O O2P . U5P B 2 . . 62.382 3.907 9.021 0.8 24.87 ? O2P U5P A 101 1 
HETATM 7046 O O3P . U5P B 2 . . 62.535 3.171 6.566 0.8 34.49 ? O3P U5P A 101 1 
HETATM 7047 H HN3 . U5P B 2 . . 70.318 6.169 12.016 0.8 21.12 ? HN3 U5P A 101 1 
HETATM 7048 H H5 . U5P B 2 . . 66.635 4.861 12.612 0.8 22.3 ? H5 U5P A 101 1 
HETATM 7049 H H6 . U5P B 2 . . 66.494 4.551 10.379 0.8 20.67 ? H6 U5P A 101 1 
HETATM 7050 H H1' . U5P B 2 . . 68.98 5.359 7.997 0.8 20.22 ? H1' U5P A 101 1 
HETATM 7051 H H2' . U5P B 2 . . 68.541 2.869 8.839 0.8 22.18 ? H2' U5P A 101 1 
HETATM 7052 H H3' . U5P B 2 . . 66.272 3.113 8.607 0.8 20.72 ? H3' U5P A 101 1 
HETATM 7053 H H4' . U5P B 2 . . 66.893 4.488 6.244 0.8 22.62 ? H4' U5P A 101 1 
HETATM 7054 H "H5'1" . U5P B 2 . . 64.927 5.743 6.594 0.8 30.39 ? "H5'1" U5P A 101 1 
HETATM 7055 H "H5'2" . U5P B 2 . . 64.705 4.281 6.031 0.8 30.39 ? "H5'2" U5P A 101 1 
HETATM 7056 N N1 . U5P B-2 2 . . 53.013 3.629 9.893 0.8 15.72 ? N1 U5P A-2 101 1 
HETATM 7057 C C2 . U5P B-2 2 . . 51.998 4.433 10.375 0.8 16.69 ? C2 U5P A-2 101 1 
HETATM 7058 N N3 . U5P B-2 2 . . 51.79 4.395 11.697 0.8 17.6 ? N3 U5P A-2 101 1 
HETATM 7059 C C4 . U5P B-2 2 . . 52.536 3.682 12.579 0.8 17.78 ? C4 U5P A-2 101 1 
HETATM 7060 C C5 . U5P B-2 2 . . 53.598 2.867 12.055 0.8 18.59 ? C5 U5P A-2 101 1 
HETATM 7061 C C6 . U5P B-2 2 . . 53.778 2.886 10.737 0.8 17.23 ? C6 U5P A-2 101 1 
HETATM 7062 O O2 . U5P B-2 2 . . 51.336 5.07 9.624 0.8 17.84 ? O2 U5P A-2 101 1 
HETATM 7063 O O4 . U5P B-2 2 . . 52.305 3.739 13.805 0.8 21.08 ? O4 U5P A-2 101 1 
HETATM 7064 C C1' . U5P B-2 2 . . 53.282 3.705 8.441 0.8 16.85 ? C1' U5P A-2 101 1 
HETATM 7065 C C2' . U5P B-2 2 . . 54.594 4.463 8.097 0.8 18.49 ? C2' U5P A-2 101 1 
HETATM 7066 O O2' . U5P B-2 2 . . 54.41 5.229 6.907 0.8 22.23 ? O2' U5P A-2 101 1 
HETATM 7067 C C3' . U5P B-2 2 . . 55.543 3.316 7.773 0.8 17.27 ? C3' U5P A-2 101 1 
HETATM 7068 C C4' . U5P B-2 2 . . 54.584 2.36 7.089 0.8 18.85 ? C4' U5P A-2 101 1 
HETATM 7069 O O3' . U5P B-2 2 . . 56.725 3.697 7.017 0.8 21.62 ? O3' U5P A-2 101 1 
HETATM 7070 O O4' . U5P B-2 2 . . 53.422 2.405 7.956 0.8 16.58 ? O4' U5P A-2 101 1 
HETATM 7071 C C5' . U5P B-2 2 . . 55.01 0.972 6.797 0.8 25.33 ? C5' U5P A-2 101 1 
HETATM 7072 O O5' . U5P B-2 2 . . 55.663 0.434 7.884 0.8 29.02 ? O5' U5P A-2 101 1 
HETATM 7073 P P . U5P B-2 2 . . 56.688 -0.756 7.605 0.8 27.85 ? P U5P A-2 101 1 
HETATM 7074 O O2P . U5P B-2 2 . . 57.09 -0.852 9.021 0.8 24.87 ? O2P U5P A-2 101 1 
HETATM 7075 O O3P . U5P B-2 2 . . 57.651 -0.351 6.566 0.8 34.49 ? O3P U5P A-2 101 1 
HETATM 7076 H HN3 . U5P B-2 2 . . 51.163 4.89 12.016 0.8 21.12 ? HN3 U5P A-2 101 1 
HETATM 7077 H H5 . U5P B-2 2 . . 54.138 2.354 12.612 0.8 22.3 ? H5 U5P A-2 101 1 
HETATM 7078 H H6 . U5P B-2 2 . . 54.477 2.387 10.379 0.8 20.67 ? H6 U5P A-2 101 1 
HETATM 7079 H H1' . U5P B-2 2 . . 52.534 4.136 7.997 0.8 20.22 ? H1' U5P A-2 101 1 
HETATM 7080 H H2' . U5P B-2 2 . . 54.91 5.001 8.839 0.8 22.18 ? H2' U5P A-2 101 1 
HETATM 7081 H H3' . U5P B-2 2 . . 55.833 2.914 8.607 0.8 20.72 ? H3' U5P A-2 101 1 
HETATM 7082 H H4' . U5P B-2 2 . . 54.332 2.764 6.244 0.8 22.62 ? H4' U5P A-2 101 1 
HETATM 7083 H "H5'1" . U5P B-2 2 . . 54.228 0.434 6.594 0.8 30.39 ? "H5'1" U5P A-2 101 1 
HETATM 7084 H "H5'2" . U5P B-2 2 . . 55.605 0.973 6.031 0.8 30.39 ? "H5'2" U5P A-2 101 1 
HETATM 7085 N N1 . U5P B-3 2 . . 62.016 -8.827 9.893 0.8 15.72 ? N1 U5P A-3 101 1 
HETATM 7086 C C2 . U5P B-3 2 . . 61.827 -10.108 10.375 0.8 16.69 ? C2 U5P A-3 101 1 
HETATM 7087 N N3 . U5P B-3 2 . . 61.964 -10.269 11.697 0.8 17.6 ? N3 U5P A-3 101 1 
HETATM 7088 C C4 . U5P B-3 2 . . 62.208 -9.266 12.579 0.8 17.78 ? C4 U5P A-3 101 1 
HETATM 7089 C C5 . U5P B-3 2 . . 62.383 -7.939 12.055 0.8 18.59 ? C5 U5P A-3 101 1 
HETATM 7090 C C6 . U5P B-3 2 . . 62.277 -7.793 10.737 0.8 17.23 ? C6 U5P A-3 101 1 
HETATM 7091 O O2 . U5P B-3 2 . . 61.606 -10.999 9.624 0.8 17.84 ? O2 U5P A-3 101 1 
HETATM 7092 O O4 . U5P B-3 2 . . 62.274 -9.495 13.805 0.8 21.08 ? O4 U5P A-3 101 1 
HETATM 7093 C C1' . U5P B-3 2 . . 61.815 -8.632 8.441 0.8 16.85 ? C1' U5P A-3 101 1 
HETATM 7094 C C2' . U5P B-3 2 . . 60.503 -7.875 8.097 0.8 18.49 ? C2' U5P A-3 101 1 
HETATM 7095 O O2' . U5P B-3 2 . . 59.931 -8.417 6.907 0.8 22.23 ? O2' U5P A-3 101 1 
HETATM 7096 C C3' . U5P B-3 2 . . 61.022 -6.479 7.773 0.8 17.27 ? C3' U5P A-3 101 1 
HETATM 7097 C C4' . U5P B-3 2 . . 62.328 -6.831 7.089 0.8 18.85 ? C4' U5P A-3 101 1 
HETATM 7098 O O3' . U5P B-3 2 . . 60.101 -5.646 7.017 0.8 21.62 ? O3' U5P A-3 101 1 
HETATM 7099 O O4' . U5P B-3 2 . . 62.871 -7.86 7.956 0.8 16.58 ? O4' U5P A-3 101 1 
HETATM 7100 C C5' . U5P B-3 2 . . 63.318 -5.769 6.797 0.8 25.33 ? C5' U5P A-3 101 1 
HETATM 7101 O O5' . U5P B-3 2 . . 63.458 -4.934 7.884 0.8 29.02 ? O5' U5P A-3 101 1 
HETATM 7102 P P . U5P B-3 2 . . 63.976 -3.452 7.605 0.8 27.85 ? P U5P A-3 101 1 
HETATM 7103 O O2P . U5P B-3 2 . . 63.858 -3.055 9.021 0.8 24.87 ? O2P U5P A-3 101 1 
HETATM 7104 O O3P . U5P B-3 2 . . 63.144 -2.82 6.566 0.8 34.49 ? O3P U5P A-3 101 1 
HETATM 7105 H HN3 . U5P B-3 2 . . 61.849 -11.059 12.016 0.8 21.12 ? HN3 U5P A-3 101 1 
HETATM 7106 H H5 . U5P B-3 2 . . 62.557 -7.215 12.612 0.8 22.3 ? H5 U5P A-3 101 1 
HETATM 7107 H H6 . U5P B-3 2 . . 62.359 -6.938 10.379 0.8 20.67 ? H6 U5P A-3 101 1 
HETATM 7108 H H1' . U5P B-3 2 . . 61.816 -9.495 7.997 0.8 20.22 ? H1' U5P A-3 101 1 
HETATM 7109 H H2' . U5P B-3 2 . . 59.879 -7.87 8.839 0.8 22.18 ? H2' U5P A-3 101 1 
HETATM 7110 H H3' . U5P B-3 2 . . 61.225 -6.027 8.607 0.8 20.72 ? H3' U5P A-3 101 1 
HETATM 7111 H H4' . U5P B-3 2 . . 62.105 -7.252 6.244 0.8 22.62 ? H4' U5P A-3 101 1 
HETATM 7112 H "H5'1" . U5P B-3 2 . . 64.175 -6.177 6.594 0.8 30.39 ? "H5'1" U5P A-3 101 1 
HETATM 7113 H "H5'2" . U5P B-3 2 . . 63.02 -5.254 6.031 0.8 30.39 ? "H5'2" U5P A-3 101 1 
HETATM 7114 N N1 . U5P B-4 2 . . 53.919 -5.198 9.893 0.8 15.72 ? N1 U5P A-4 101 1 
HETATM 7115 C C2 . U5P B-4 2 . . 52.715 -5.675 10.375 0.8 16.69 ? C2 U5P A-4 101 1 
HETATM 7116 N N3 . U5P B-4 2 . . 52.644 -5.874 11.697 0.8 17.6 ? N3 U5P A-4 101 1 
HETATM 7117 C C4 . U5P B-4 2 . . 53.634 -5.584 12.579 0.8 17.78 ? C4 U5P A-4 101 1 
HETATM 7118 C C5 . U5P B-4 2 . . 54.871 -5.072 12.055 0.8 18.59 ? C5 U5P A-4 101 1 
HETATM 7119 C C6 . U5P B-4 2 . . 54.945 -4.907 10.737 0.8 17.23 ? C6 U5P A-4 101 1 
HETATM 7120 O O2 . U5P B-4 2 . . 51.832 -5.929 9.624 0.8 17.84 ? O2 U5P A-4 101 1 
HETATM 7121 O O4 . U5P B-4 2 . . 53.469 -5.756 13.805 0.8 21.08 ? O4 U5P A-4 101 1 
HETATM 7122 C C1' . U5P B-4 2 . . 53.987 -4.927 8.441 0.8 16.85 ? C1' U5P A-4 101 1 
HETATM 7123 C C2' . U5P B-4 2 . . 53.987 -3.412 8.097 0.8 18.49 ? C2' U5P A-4 101 1 
HETATM 7124 O O2' . U5P B-4 2 . . 53.231 -3.188 6.907 0.8 22.23 ? O2' U5P A-4 101 1 
HETATM 7125 C C3' . U5P B-4 2 . . 55.455 -3.163 7.773 0.8 17.27 ? C3' U5P A-4 101 1 
HETATM 7126 C C4' . U5P B-4 2 . . 55.803 -4.471 7.089 0.8 18.85 ? C4' U5P A-4 101 1 
HETATM 7127 O O3' . U5P B-4 2 . . 55.716 -1.949 7.017 0.8 21.62 ? O3' U5P A-4 101 1 
HETATM 7128 O O4' . U5P B-4 2 . . 55.183 -5.455 7.956 0.8 16.58 ? O4' U5P A-4 101 1 
HETATM 7129 C C5' . U5P B-4 2 . . 57.218 -4.797 6.797 0.8 25.33 ? C5' U5P A-4 101 1 
HETATM 7130 O O5' . U5P B-4 2 . . 58.011 -4.5 7.884 0.8 29.02 ? O5' U5P A-4 101 1 
HETATM 7131 P P . U5P B-4 2 . . 59.554 -4.208 7.605 0.8 27.85 ? P U5P A-4 101 1 
HETATM 7132 O O2P . U5P B-4 2 . . 59.838 -3.907 9.021 0.8 24.87 ? O2P U5P A-4 101 1 
HETATM 7133 O O3P . U5P B-4 2 . . 59.685 -3.171 6.566 0.8 34.49 ? O3P U5P A-4 101 1 
HETATM 7134 H HN3 . U5P B-4 2 . . 51.902 -6.169 12.016 0.8 21.12 ? HN3 U5P A-4 101 1 
HETATM 7135 H H5 . U5P B-4 2 . . 55.585 -4.861 12.612 0.8 22.3 ? H5 U5P A-4 101 1 
HETATM 7136 H H6 . U5P B-4 2 . . 55.726 -4.551 10.379 0.8 20.67 ? H6 U5P A-4 101 1 
HETATM 7137 H H1' . U5P B-4 2 . . 53.24 -5.359 7.997 0.8 20.22 ? H1' U5P A-4 101 1 
HETATM 7138 H H2' . U5P B-4 2 . . 53.679 -2.869 8.839 0.8 22.18 ? H2' U5P A-4 101 1 
HETATM 7139 H H3' . U5P B-4 2 . . 55.948 -3.113 8.607 0.8 20.72 ? H3' U5P A-4 101 1 
HETATM 7140 H H4' . U5P B-4 2 . . 55.327 -4.488 6.244 0.8 22.62 ? H4' U5P A-4 101 1 
HETATM 7141 H "H5'1" . U5P B-4 2 . . 57.293 -5.743 6.594 0.8 30.39 ? "H5'1" U5P A-4 101 1 
HETATM 7142 H "H5'2" . U5P B-4 2 . . 57.515 -4.281 6.031 0.8 30.39 ? "H5'2" U5P A-4 101 1 
HETATM 7143 N N1 . U5P B-5 2 . . 69.207 -3.629 9.893 0.8 15.72 ? N1 U5P A-5 101 1 
HETATM 7144 C C2 . U5P B-5 2 . . 70.222 -4.433 10.375 0.8 16.69 ? C2 U5P A-5 101 1 
HETATM 7145 N N3 . U5P B-5 2 . . 70.43 -4.395 11.697 0.8 17.6 ? N3 U5P A-5 101 1 
HETATM 7146 C C4 . U5P B-5 2 . . 69.684 -3.682 12.579 0.8 17.78 ? C4 U5P A-5 101 1 
HETATM 7147 C C5 . U5P B-5 2 . . 68.622 -2.867 12.055 0.8 18.59 ? C5 U5P A-5 101 1 
HETATM 7148 C C6 . U5P B-5 2 . . 68.442 -2.886 10.737 0.8 17.23 ? C6 U5P A-5 101 1 
HETATM 7149 O O2 . U5P B-5 2 . . 70.884 -5.07 9.624 0.8 17.84 ? O2 U5P A-5 101 1 
HETATM 7150 O O4 . U5P B-5 2 . . 69.915 -3.739 13.805 0.8 21.08 ? O4 U5P A-5 101 1 
HETATM 7151 C C1' . U5P B-5 2 . . 68.938 -3.705 8.441 0.8 16.85 ? C1' U5P A-5 101 1 
HETATM 7152 C C2' . U5P B-5 2 . . 67.626 -4.463 8.097 0.8 18.49 ? C2' U5P A-5 101 1 
HETATM 7153 O O2' . U5P B-5 2 . . 67.81 -5.229 6.907 0.8 22.23 ? O2' U5P A-5 101 1 
HETATM 7154 C C3' . U5P B-5 2 . . 66.677 -3.316 7.773 0.8 17.27 ? C3' U5P A-5 101 1 
HETATM 7155 C C4' . U5P B-5 2 . . 67.635 -2.36 7.089 0.8 18.85 ? C4' U5P A-5 101 1 
HETATM 7156 O O3' . U5P B-5 2 . . 65.495 -3.697 7.017 0.8 21.62 ? O3' U5P A-5 101 1 
HETATM 7157 O O4' . U5P B-5 2 . . 68.798 -2.405 7.956 0.8 16.58 ? O4' U5P A-5 101 1 
HETATM 7158 C C5' . U5P B-5 2 . . 67.21 -0.972 6.797 0.8 25.33 ? C5' U5P A-5 101 1 
HETATM 7159 O O5' . U5P B-5 2 . . 66.557 -0.434 7.884 0.8 29.02 ? O5' U5P A-5 101 1 
HETATM 7160 P P . U5P B-5 2 . . 65.532 0.756 7.605 0.8 27.85 ? P U5P A-5 101 1 
HETATM 7161 O O2P . U5P B-5 2 . . 65.13 0.852 9.021 0.8 24.87 ? O2P U5P A-5 101 1 
HETATM 7162 O O3P . U5P B-5 2 . . 64.569 0.351 6.566 0.8 34.49 ? O3P U5P A-5 101 1 
HETATM 7163 H HN3 . U5P B-5 2 . . 71.057 -4.89 12.016 0.8 21.12 ? HN3 U5P A-5 101 1 
HETATM 7164 H H5 . U5P B-5 2 . . 68.082 -2.354 12.612 0.8 22.3 ? H5 U5P A-5 101 1 
HETATM 7165 H H6 . U5P B-5 2 . . 67.743 -2.387 10.379 0.8 20.67 ? H6 U5P A-5 101 1 
HETATM 7166 H H1' . U5P B-5 2 . . 69.686 -4.136 7.997 0.8 20.22 ? H1' U5P A-5 101 1 
HETATM 7167 H H2' . U5P B-5 2 . . 67.31 -5.001 8.839 0.8 22.18 ? H2' U5P A-5 101 1 
HETATM 7168 H H3' . U5P B-5 2 . . 66.387 -2.914 8.607 0.8 20.72 ? H3' U5P A-5 101 1 
HETATM 7169 H H4' . U5P B-5 2 . . 67.888 -2.764 6.244 0.8 22.62 ? H4' U5P A-5 101 1 
HETATM 7170 H "H5'1" . U5P B-5 2 . . 67.992 -0.434 6.594 0.8 30.39 ? "H5'1" U5P A-5 101 1 
HETATM 7171 H "H5'2" . U5P B-5 2 . . 66.615 -0.973 6.031 0.8 30.39 ? "H5'2" U5P A-5 101 1 
HETATM 7172 N N1 . U5P B-6 2 . . 60.204 8.827 9.893 0.8 15.72 ? N1 U5P A-6 101 1 
HETATM 7173 C C2 . U5P B-6 2 . . 60.393 10.108 10.375 0.8 16.69 ? C2 U5P A-6 101 1 
HETATM 7174 N N3 . U5P B-6 2 . . 60.256 10.269 11.697 0.8 17.6 ? N3 U5P A-6 101 1 
HETATM 7175 C C4 . U5P B-6 2 . . 60.012 9.266 12.579 0.8 17.78 ? C4 U5P A-6 101 1 
HETATM 7176 C C5 . U5P B-6 2 . . 59.837 7.939 12.055 0.8 18.59 ? C5 U5P A-6 101 1 
HETATM 7177 C C6 . U5P B-6 2 . . 59.943 7.793 10.737 0.8 17.23 ? C6 U5P A-6 101 1 
HETATM 7178 O O2 . U5P B-6 2 . . 60.614 10.999 9.624 0.8 17.84 ? O2 U5P A-6 101 1 
HETATM 7179 O O4 . U5P B-6 2 . . 59.946 9.495 13.805 0.8 21.08 ? O4 U5P A-6 101 1 
HETATM 7180 C C1' . U5P B-6 2 . . 60.405 8.632 8.441 0.8 16.85 ? C1' U5P A-6 101 1 
HETATM 7181 C C2' . U5P B-6 2 . . 61.717 7.875 8.097 0.8 18.49 ? C2' U5P A-6 101 1 
HETATM 7182 O O2' . U5P B-6 2 . . 62.289 8.417 6.907 0.8 22.23 ? O2' U5P A-6 101 1 
HETATM 7183 C C3' . U5P B-6 2 . . 61.198 6.479 7.773 0.8 17.27 ? C3' U5P A-6 101 1 
HETATM 7184 C C4' . U5P B-6 2 . . 59.891 6.831 7.089 0.8 18.85 ? C4' U5P A-6 101 1 
HETATM 7185 O O3' . U5P B-6 2 . . 62.119 5.646 7.017 0.8 21.62 ? O3' U5P A-6 101 1 
HETATM 7186 O O4' . U5P B-6 2 . . 59.349 7.86 7.956 0.8 16.58 ? O4' U5P A-6 101 1 
HETATM 7187 C C5' . U5P B-6 2 . . 58.902 5.769 6.797 0.8 25.33 ? C5' U5P A-6 101 1 
HETATM 7188 O O5' . U5P B-6 2 . . 58.762 4.934 7.884 0.8 29.02 ? O5' U5P A-6 101 1 
HETATM 7189 P P . U5P B-6 2 . . 58.244 3.452 7.605 0.8 27.85 ? P U5P A-6 101 1 
HETATM 7190 O O2P . U5P B-6 2 . . 58.362 3.055 9.021 0.8 24.87 ? O2P U5P A-6 101 1 
HETATM 7191 O O3P . U5P B-6 2 . . 59.076 2.82 6.566 0.8 34.49 ? O3P U5P A-6 101 1 
HETATM 7192 H HN3 . U5P B-6 2 . . 60.371 11.059 12.016 0.8 21.12 ? HN3 U5P A-6 101 1 
HETATM 7193 H H5 . U5P B-6 2 . . 59.663 7.215 12.612 0.8 22.3 ? H5 U5P A-6 101 1 
HETATM 7194 H H6 . U5P B-6 2 . . 59.861 6.938 10.379 0.8 20.67 ? H6 U5P A-6 101 1 
HETATM 7195 H H1' . U5P B-6 2 . . 60.404 9.495 7.997 0.8 20.22 ? H1' U5P A-6 101 1 
HETATM 7196 H H2' . U5P B-6 2 . . 62.341 7.87 8.839 0.8 22.18 ? H2' U5P A-6 101 1 
HETATM 7197 H H3' . U5P B-6 2 . . 60.995 6.027 8.607 0.8 20.72 ? H3' U5P A-6 101 1 
HETATM 7198 H H4' . U5P B-6 2 . . 60.115 7.252 6.244 0.8 22.62 ? H4' U5P A-6 101 1 
HETATM 7199 H "H5'1" . U5P B-6 2 . . 58.045 6.177 6.594 0.8 30.39 ? "H5'1" U5P A-6 101 1 
HETATM 7200 H "H5'2" . U5P B-6 2 . . 59.2 5.254 6.031 0.8 30.39 ? "H5'2" U5P A-6 101 1 
HETATM 7201 O O . HOH C 3 . . 72.61 25.467 -3.858 1 26.63 ? O HOH A 201 1 
HETATM 7202 O O . HOH C 3 . . 91.122 15.943 8.336 0.92 41.81 ? O HOH A 202 1 
HETATM 7203 O O . HOH C 3 . . 76.403 5.924 13.237 0.59 18.67 ? O HOH A 203 1 
HETATM 7204 O O . HOH C 3 . . 65.84 16.517 -5.667 0.69 26.85 ? O HOH A 204 1 
HETATM 7205 O O . HOH C 3 . . 90.136 14.324 5.3 0.73 26.76 ? O HOH A 205 1 
HETATM 7206 O O . HOH C 3 . . 78.33 8.172 -11.405 0.36 20.7 ? O HOH A 206 1 
HETATM 7207 O O . HOH C 3 . . 83.661 23.025 8.243 0.48 22.84 ? O HOH A 207 1 
HETATM 7208 O O . HOH C 3 . . 60.954 4.058 4.61 0.87 40.55 ? O HOH A 208 1 
HETATM 7209 O O . HOH C 3 . . 71.463 3.975 -6.903 0.53 20.65 ? O HOH A 209 1 
HETATM 7210 O O . HOH C 3 . . 70.594 9.096 -13.054 0.56 33.66 ? O HOH A 210 1 
HETATM 7211 O O . HOH C 3 . . 92.176 12.714 1.223 0.72 19.8 ? O HOH A 211 1 
HETATM 7212 O O . HOH C 3 . . 74.068 15.401 12.979 0.66 26.42 ? O HOH A 212 1 
HETATM 7213 O O . HOH C 3 . . 73.744 14.905 -10.634 0.79 38.56 ? O HOH A 213 1 
HETATM 7214 O O . HOH C 3 . . 64.505 2.029 1.827 1 20.6 ? O HOH A 214 1 
HETATM 7215 O O . HOH C 3 . . 91.646 13.385 2.845 0.77 36.25 ? O HOH A 215 1 
HETATM 7216 O O . HOH C 3 . . 77.468 22.149 -2.921 0.4 19.08 ? O HOH A 216 1 
HETATM 7217 O O . HOH C 3 . . 62.899 4.251 -0.453 0.47 15.35 ? O HOH A 217 1 
HETATM 7218 O O . HOH C 3 . . 71.093 5.148 15.2 0.68 31.28 ? O HOH A 218 1 
HETATM 7219 O O . HOH C 3 . . 64.934 8.126 6.047 0.79 12.58 ? O HOH A 219 1 
HETATM 7220 O O . HOH C 3 . . 64.484 13.306 11.545 1 25.32 ? O HOH A 220 1 
HETATM 7221 O O . HOH C 3 . . 71.822 7.357 12.586 0.87 38.34 ? O HOH A 221 1 
HETATM 7222 O O . HOH C 3 . . 84.836 9.538 -6.044 0.77 24.71 ? O HOH A 222 1 
HETATM 7223 O O . HOH C 3 . . 64.669 11.923 14.342 0.79 26.67 ? O HOH A 223 1 
HETATM 7224 O O . HOH C 3 . . 70.65 11.43 -12.187 0.79 29.98 ? O HOH A 224 1 
HETATM 7225 O O . HOH C 3 . . 67.444 26.343 1.827 1 22.82 ? O HOH A 225 1 
HETATM 7226 O O . HOH C 3 . . 60.144 4.564 10.892 0.5 22.94 ? O HOH A 226 1 
HETATM 7227 O O . HOH C 3 . . 82.574 12.77 14.304 0.8 40.1 ? O HOH A 227 1 
HETATM 7228 O O . HOH C 3 . . 67.97 12.994 14.903 1 36.69 ? O HOH A 228 1 
HETATM 7229 O O . HOH C 3 . . 68.615 0.542 -4.502 0.3 11.19 ? O HOH A 229 1 
HETATM 7230 O O . HOH C 3 . . 66.749 17.528 -7.018 1 50.88 ? O HOH A 230 1 
HETATM 7231 O O . HOH C 3 . . 75.567 24.236 -3.535 0.73 30.65 ? O HOH A 231 1 
HETATM 7232 O O . HOH C 3 . . 69.322 17.88 -7.562 0.8 43.23 ? O HOH A 232 1 
HETATM 7233 O O . HOH C 3 . . 76.298 16.89 12.903 1 51.93 ? O HOH A 233 1 
HETATM 7234 O O . HOH C 3 . . 89.378 10.552 -5.637 0.99 43.01 ? O HOH A 234 1 
HETATM 7235 O O . HOH C 3 . . 80.605 11.805 -13.149 0.63 32.96 ? O HOH A 235 1 
HETATM 7236 O O . HOH C 3 . . 81.683 13.461 -10.165 0.92 42.77 ? O HOH A 236 1 
HETATM 7237 O O . HOH C 3 . . 69.96 27.609 0.62 0.76 34.13 ? O HOH A 237 1 
HETATM 7238 O O . HOH C 3 . . 79.105 23.442 6.86 1 50.5 ? O HOH A 238 1 
HETATM 7239 O O . HOH C 3 . . 79.418 23.01 2.942 0.56 28.21 ? O HOH A 239 1 
HETATM 7240 O O . HOH C 3 . . 79.83 20.847 -4.188 0.53 23.01 ? O HOH A 240 1 
HETATM 7241 O O . HOH C 3 . . 61.11 0 8.39 0.25 21.22 ? O HOH A 241 1 
HETATM 7242 O O . HOH C 3 . . 63.198 8.567 -11.392 0.86 44.82 ? O HOH A 242 1 
HETATM 7243 O O . HOH C 3 . . 61.11 0 4.063 0.25 32.93 ? O HOH A 243 1 
HETATM 7244 O O . HOH C 3 . . 59.58 0.45 9.559 0.56 30.1 ? O HOH A 244 1 
HETATM 7245 O O . HOH C 3 . . 66.242 19.174 -7.729 0.86 41.9 ? O HOH A 245 1 
HETATM 7246 O O . HOH C 3 . . 87.413 19.085 -3.273 0.75 33.62 ? O HOH A 246 1 
HETATM 7247 O O . HOH C 3 . . 92.876 13.609 -1.688 1 32.22 ? O HOH A 247 1 
HETATM 7248 O O . HOH C 3 . . 64.68 12.794 -5.938 0.8 40.39 ? O HOH A 248 1 
HETATM 7249 O O . HOH C 3 . . 63.007 0.222 0.725 0.78 36.94 ? O HOH A 249 1 
HETATM 7250 O O . HOH C 3 . . 61.563 6.8 -12.147 1 51.54 ? O HOH A 250 1 
HETATM 7251 O O . HOH C 3 . . 62.133 2.206 -2.018 0.84 37.76 ? O HOH A 251 1 
HETATM 7252 O O . HOH C 3 . . 65.474 14.399 -7.472 0.91 48.64 ? O HOH A 252 1 
HETATM 7253 O O . HOH C 3 . . 74.676 17.759 11.315 0.93 23.83 ? O HOH A 253 1 
HETATM 7254 O O . HOH C 3 . . 81.423 11.809 -5.649 0.79 23.83 ? O HOH A 254 1 
HETATM 7255 O O . HOH C 3 . . 79.101 19.278 -5.91 0.59 27.05 ? O HOH A 255 1 
HETATM 7256 O O . HOH C 3 . . 80.974 14.542 -6.177 0.69 31.25 ? O HOH A 256 1 
HETATM 7257 O O . HOH C 3 . . 71.965 17.528 -7.054 0.9 25.75 ? O HOH A 257 1 
HETATM 7258 O O . HOH C 3 . . 79.892 17.377 2.278 1 18.27 ? O HOH A 258 1 
HETATM 7259 O O . HOH C 3 . . 79.61 20.838 4.557 1 25.69 ? O HOH A 259 1 
HETATM 7260 O O . HOH C 3 . . 83.972 12.287 11.916 0.84 28.3 ? O HOH A 260 1 
HETATM 7261 O O . HOH C 3 . . 79.804 16.619 -6.076 1 43.74 ? O HOH A 261 1 
HETATM 7262 O O . HOH C 3 . . 80.451 9.21 -7.825 0.49 28.43 ? O HOH A 262 1 
HETATM 7263 O O . HOH C 3 . . 73.731 9.207 11.33 0.72 13.31 ? O HOH A 263 1 
HETATM 7264 O O . HOH C 3 . . 72.495 19.856 -5.338 0.71 28.22 ? O HOH A 264 1 
HETATM 7265 O O . HOH C 3 . . 69.01 22.613 -5.755 1 46.41 ? O HOH A 265 1 
HETATM 7266 O O . HOH C 3 . . 75.5 20.807 11.831 1 56.17 ? O HOH A 266 1 
HETATM 7267 O O . HOH C 3 . . 75.432 20.679 -6.993 0.84 46.35 ? O HOH A 267 1 
HETATM 7268 O O . HOH C 3 . . 70.739 20.85 -3.277 0.49 16.58 ? O HOH A 268 1 
HETATM 7269 O O . HOH C 3 . . 86.639 17.005 -4.834 0.94 33.82 ? O HOH A 269 1 
HETATM 7270 O O . HOH C 3 . . 72.874 23.473 -5.08 1 42.21 ? O HOH A 270 1 
HETATM 7271 O O . HOH C 3 . . 77.757 22.106 8.578 0.81 35.46 ? O HOH A 271 1 
HETATM 7272 O O . HOH C 3 . . 85.459 17.616 -6.013 0.9 51.71 ? O HOH A 272 1 
HETATM 7273 O O . HOH C 3 . . 86.154 12.841 -7.69 0.84 42.39 ? O HOH A 273 1 
HETATM 7274 O O . HOH C 3 . . 61.11 0 -0.314 0.25 27.92 ? O HOH A 274 1 
HETATM 7275 O O . HOH C 3 . . 83.296 1.196 16.361 0.9 46.88 ? O HOH A 275 1 
HETATM 7276 O O . HOH C 3 . . 65.526 15.091 -9.054 0.86 48.03 ? O HOH A 276 1 
HETATM 7277 O O . HOH C-2 3 . . 33.305 -2.774 -3.858 1 26.63 ? O HOH A-2 201 1 
HETATM 7278 O O . HOH C-2 3 . . 32.297 18.02 8.336 0.92 41.81 ? O HOH A-2 202 1 
HETATM 7279 O O . HOH C-2 3 . . 48.333 10.282 13.237 0.59 18.67 ? O HOH A-2 203 1 
HETATM 7280 O O . HOH C-2 3 . . 44.441 -4.162 -5.667 0.69 26.85 ? O HOH A-2 204 1 
HETATM 7281 O O . HOH C-2 3 . . 34.192 17.975 5.3 0.73 26.76 ? O HOH A-2 205 1 
HETATM 7282 O O . HOH C-2 3 . . 45.423 10.827 -11.405 0.36 20.7 ? O HOH A-2 206 1 
HETATM 7283 O O . HOH C-2 3 . . 29.894 8.017 8.243 0.48 22.84 ? O HOH A-2 207 1 
HETATM 7284 O O . HOH C-2 3 . . 57.674 -2.164 4.61 0.87 40.55 ? O HOH A-2 208 1 
HETATM 7285 O O . HOH C-2 3 . . 52.491 6.978 -6.903 0.53 20.65 ? O HOH A-2 209 1 
HETATM 7286 O O . HOH C-2 3 . . 48.491 3.665 -13.054 0.56 33.66 ? O HOH A-2 210 1 
HETATM 7287 O O . HOH C-2 3 . . 34.566 20.547 1.223 0.72 19.8 ? O HOH A-2 211 1 
HETATM 7288 O O . HOH C-2 3 . . 41.293 3.521 12.979 0.66 26.42 ? O HOH A-2 212 1 
HETATM 7289 O O . HOH C-2 3 . . 41.885 3.489 -10.634 0.79 38.56 ? O HOH A-2 213 1 
HETATM 7290 O O . HOH C-2 3 . . 57.655 1.926 1.827 1 20.6 ? O HOH A-2 214 1 
HETATM 7291 O O . HOH C-2 3 . . 34.25 19.752 2.845 0.77 36.25 ? O HOH A-2 215 1 
HETATM 7292 O O . HOH C-2 3 . . 33.749 3.092 -2.921 0.4 19.08 ? O HOH A-2 216 1 
HETATM 7293 O O . HOH C-2 3 . . 56.534 -0.576 -0.453 0.47 15.35 ? O HOH A-2 217 1 
HETATM 7294 O O . HOH C-2 3 . . 51.66 6.072 15.2 0.68 31.28 ? O HOH A-2 218 1 
HETATM 7295 O O . HOH C-2 3 . . 52.161 -0.751 6.047 0.79 12.58 ? O HOH A-2 219 1 
HETATM 7296 O O . HOH C-2 3 . . 47.9 -3.731 11.545 1 25.32 ? O HOH A-2 220 1 
HETATM 7297 O O . HOH C-2 3 . . 49.383 5.598 12.586 0.87 38.34 ? O HOH A-2 221 1 
HETATM 7298 O O . HOH C-2 3 . . 40.987 15.778 -6.044 0.77 24.71 ? O HOH A-2 222 1 
HETATM 7299 O O . HOH C-2 3 . . 49.005 -2.879 14.342 0.79 26.67 ? O HOH A-2 223 1 
HETATM 7300 O O . HOH C-2 3 . . 46.441 2.547 -12.187 0.79 29.98 ? O HOH A-2 224 1 
HETATM 7301 O O . HOH C-2 3 . . 35.129 -7.686 1.827 1 22.82 ? O HOH A-2 225 1 
HETATM 7302 O O . HOH C-2 3 . . 57.64 -3.119 10.892 0.5 22.94 ? O HOH A-2 226 1 
HETATM 7303 O O . HOH C-2 3 . . 39.319 12.203 14.304 0.8 40.1 ? O HOH A-2 227 1 
HETATM 7304 O O . HOH C-2 3 . . 46.427 -0.556 14.903 1 36.69 ? O HOH A-2 228 1 
HETATM 7305 O O . HOH C-2 3 . . 56.888 6.229 -4.502 0.3 11.19 ? O HOH A-2 229 1 
HETATM 7306 O O . HOH C-2 3 . . 43.111 -3.88 -7.018 1 50.88 ? O HOH A-2 230 1 
HETATM 7307 O O . HOH C-2 3 . . 32.893 0.402 -3.535 0.73 30.65 ? O HOH A-2 231 1 
HETATM 7308 O O . HOH C-2 3 . . 41.519 -1.828 -7.562 0.8 43.23 ? O HOH A-2 232 1 
HETATM 7309 O O . HOH C-2 3 . . 38.889 4.708 12.903 1 51.93 ? O HOH A-2 233 1 
HETATM 7310 O O . HOH C-2 3 . . 37.838 19.205 -5.637 0.99 43.01 ? O HOH A-2 234 1 
HETATM 7311 O O . HOH C-2 3 . . 41.139 10.981 -13.149 0.63 32.96 ? O HOH A-2 235 1 
HETATM 7312 O O . HOH C-2 3 . . 39.166 11.086 -10.165 0.92 42.77 ? O HOH A-2 236 1 
HETATM 7313 O O . HOH C-2 3 . . 32.775 -6.14 0.62 0.76 34.13 ? O HOH A-2 237 1 
HETATM 7314 O O . HOH C-2 3 . . 31.811 3.863 6.86 1 50.5 ? O HOH A-2 238 1 
HETATM 7315 O O . HOH C-2 3 . . 32.029 4.35 2.942 0.56 28.21 ? O HOH A-2 239 1 
HETATM 7316 O O . HOH C-2 3 . . 33.696 5.788 -4.188 0.53 23.01 ? O HOH A-2 240 1 
HETATM 7317 O O . HOH C-2 3 . . 61.11 0 8.39 0.25 21.22 ? O HOH A-2 241 1 
HETATM 7318 O O . HOH C-2 3 . . 52.647 -2.475 -11.392 0.86 44.82 ? O HOH A-2 242 1 
HETATM 7319 O O . HOH C-2 3 . . 61.11 0 4.063 0.25 32.93 ? O HOH A-2 243 1 
HETATM 7320 O O . HOH C-2 3 . . 61.485 -1.55 9.559 0.56 30.1 ? O HOH A-2 244 1 
HETATM 7321 O O . HOH C-2 3 . . 41.939 -5.143 -7.729 0.86 41.9 ? O HOH A-2 245 1 
HETATM 7322 O O . HOH C-2 3 . . 31.43 13.237 -3.273 0.75 33.62 ? O HOH A-2 246 1 
HETATM 7323 O O . HOH C-2 3 . . 33.441 20.706 -1.688 1 32.22 ? O HOH A-2 247 1 
HETATM 7324 O O . HOH C-2 3 . . 48.245 -3.305 -5.938 0.8 40.39 ? O HOH A-2 248 1 
HETATM 7325 O O . HOH C-2 3 . . 59.969 1.532 0.725 0.78 36.94 ? O HOH A-2 249 1 
HETATM 7326 O O . HOH C-2 3 . . 54.995 -3.008 -12.147 1 51.54 ? O HOH A-2 250 1 
HETATM 7327 O O . HOH C-2 3 . . 58.688 -0.217 -2.018 0.84 37.76 ? O HOH A-2 251 1 
HETATM 7328 O O . HOH C-2 3 . . 46.458 -3.42 -7.472 0.91 48.64 ? O HOH A-2 252 1 
HETATM 7329 O O . HOH C-2 3 . . 38.947 2.869 11.315 0.93 23.83 ? O HOH A-2 253 1 
HETATM 7330 O O . HOH C-2 3 . . 40.727 11.687 -5.649 0.79 23.83 ? O HOH A-2 254 1 
HETATM 7331 O O . HOH C-2 3 . . 35.419 5.942 -5.91 0.59 27.05 ? O HOH A-2 255 1 
HETATM 7332 O O . HOH C-2 3 . . 38.584 9.932 -6.177 0.69 31.25 ? O HOH A-2 256 1 
HETATM 7333 O O . HOH C-2 3 . . 40.503 0.637 -7.054 0.9 25.75 ? O HOH A-2 257 1 
HETATM 7334 O O . HOH C-2 3 . . 36.67 7.577 2.278 1 18.27 ? O HOH A-2 258 1 
HETATM 7335 O O . HOH C-2 3 . . 33.814 5.602 4.557 1 25.69 ? O HOH A-2 259 1 
HETATM 7336 O O . HOH C-2 3 . . 39.038 13.656 11.916 0.84 28.3 ? O HOH A-2 260 1 
HETATM 7337 O O . HOH C-2 3 . . 37.371 7.88 -6.076 1 43.74 ? O HOH A-2 261 1 
HETATM 7338 O O . HOH C-2 3 . . 43.463 12.145 -7.825 0.49 28.43 ? O HOH A-2 262 1 
HETATM 7339 O O . HOH C-2 3 . . 46.826 6.327 11.33 0.72 13.31 ? O HOH A-2 263 1 
HETATM 7340 O O . HOH C-2 3 . . 38.222 -0.068 -5.338 0.71 28.22 ? O HOH A-2 264 1 
HETATM 7341 O O . HOH C-2 3 . . 37.577 -4.465 -5.755 1 46.41 ? O HOH A-2 265 1 
HETATM 7342 O O . HOH C-2 3 . . 35.896 2.059 11.831 1 56.17 ? O HOH A-2 266 1 
HETATM 7343 O O . HOH C-2 3 . . 36.04 2.064 -6.993 0.84 46.35 ? O HOH A-2 267 1 
HETATM 7344 O O . HOH C-2 3 . . 38.239 -2.086 -3.277 0.49 16.58 ? O HOH A-2 268 1 
HETATM 7345 O O . HOH C-2 3 . . 33.619 13.606 -4.834 0.94 33.82 ? O HOH A-2 269 1 
HETATM 7346 O O . HOH C-2 3 . . 34.9 -1.549 -5.08 1 42.21 ? O HOH A-2 270 1 
HETATM 7347 O O . HOH C-2 3 . . 33.642 3.364 8.578 0.81 35.46 ? O HOH A-2 271 1 
HETATM 7348 O O . HOH C-2 3 . . 33.68 12.279 -6.013 0.9 51.71 ? O HOH A-2 272 1 
HETATM 7349 O O . HOH C-2 3 . . 37.467 15.268 -7.69 0.84 42.39 ? O HOH A-2 273 1 
HETATM 7350 O O . HOH C-2 3 . . 61.11 0 -0.314 0.25 27.92 ? O HOH A-2 274 1 
HETATM 7351 O O . HOH C-2 3 . . 48.981 18.616 16.361 0.9 46.88 ? O HOH A-2 275 1 
HETATM 7352 O O . HOH C-2 3 . . 45.833 -3.721 -9.054 0.86 48.03 ? O HOH A-2 276 1 
HETATM 7353 O O . HOH C-3 3 . . 77.415 -22.693 -3.858 1 26.63 ? O HOH A-3 201 1 
HETATM 7354 O O . HOH C-3 3 . . 59.911 -33.963 8.336 0.92 41.81 ? O HOH A-3 202 1 
HETATM 7355 O O . HOH C-3 3 . . 58.594 -16.206 13.237 0.59 18.67 ? O HOH A-3 203 1 
HETATM 7356 O O . HOH C-3 3 . . 73.049 -12.355 -5.667 0.69 26.85 ? O HOH A-3 204 1 
HETATM 7357 O O . HOH C-3 3 . . 59.002 -32.299 5.3 0.73 26.76 ? O HOH A-3 205 1 
HETATM 7358 O O . HOH C-3 3 . . 59.577 -18.999 -11.405 0.36 20.7 ? O HOH A-3 206 1 
HETATM 7359 O O . HOH C-3 3 . . 69.775 -31.042 8.243 0.48 22.84 ? O HOH A-3 207 1 
HETATM 7360 O O . HOH C-3 3 . . 64.702 -1.894 4.61 0.87 40.55 ? O HOH A-3 208 1 
HETATM 7361 O O . HOH C-3 3 . . 59.376 -10.953 -6.903 0.53 20.65 ? O HOH A-3 209 1 
HETATM 7362 O O . HOH C-3 3 . . 64.245 -12.761 -13.054 0.56 33.66 ? O HOH A-3 210 1 
HETATM 7363 O O . HOH C-3 3 . . 56.588 -33.261 1.223 0.72 19.8 ? O HOH A-3 211 1 
HETATM 7364 O O . HOH C-3 3 . . 67.969 -18.922 12.979 0.66 26.42 ? O HOH A-3 212 1 
HETATM 7365 O O . HOH C-3 3 . . 67.701 -18.394 -10.634 0.79 38.56 ? O HOH A-3 213 1 
HETATM 7366 O O . HOH C-3 3 . . 61.17 -3.955 1.827 1 20.6 ? O HOH A-3 214 1 
HETATM 7367 O O . HOH C-3 3 . . 57.434 -33.137 2.845 0.77 36.25 ? O HOH A-3 215 1 
HETATM 7368 O O . HOH C-3 3 . . 72.113 -25.241 -2.921 0.4 19.08 ? O HOH A-3 216 1 
HETATM 7369 O O . HOH C-3 3 . . 63.897 -3.675 -0.453 0.47 15.35 ? O HOH A-3 217 1 
HETATM 7370 O O . HOH C-3 3 . . 60.577 -11.22 15.2 0.68 31.28 ? O HOH A-3 218 1 
HETATM 7371 O O . HOH C-3 3 . . 66.235 -7.375 6.047 0.79 12.58 ? O HOH A-3 219 1 
HETATM 7372 O O . HOH C-3 3 . . 70.946 -9.575 11.545 1 25.32 ? O HOH A-3 220 1 
HETATM 7373 O O . HOH C-3 3 . . 62.125 -12.955 12.586 0.87 38.34 ? O HOH A-3 221 1 
HETATM 7374 O O . HOH C-3 3 . . 57.507 -25.316 -6.044 0.77 24.71 ? O HOH A-3 222 1 
HETATM 7375 O O . HOH C-3 3 . . 69.656 -9.044 14.342 0.79 26.67 ? O HOH A-3 223 1 
HETATM 7376 O O . HOH C-3 3 . . 66.239 -13.977 -12.187 0.79 29.98 ? O HOH A-3 224 1 
HETATM 7377 O O . HOH C-3 3 . . 80.757 -18.657 1.827 1 22.82 ? O HOH A-3 225 1 
HETATM 7378 O O . HOH C-3 3 . . 65.546 -1.445 10.892 0.5 22.94 ? O HOH A-3 226 1 
HETATM 7379 O O . HOH C-3 3 . . 61.437 -24.973 14.304 0.8 40.1 ? O HOH A-3 227 1 
HETATM 7380 O O . HOH C-3 3 . . 68.933 -12.438 14.903 1 36.69 ? O HOH A-3 228 1 
HETATM 7381 O O . HOH C-3 3 . . 57.827 -6.771 -4.502 0.3 11.19 ? O HOH A-3 229 1 
HETATM 7382 O O . HOH C-3 3 . . 73.47 -13.648 -7.018 1 50.88 ? O HOH A-3 230 1 
HETATM 7383 O O . HOH C-3 3 . . 74.87 -24.638 -3.535 0.73 30.65 ? O HOH A-3 231 1 
HETATM 7384 O O . HOH C-3 3 . . 72.489 -16.052 -7.562 0.8 43.23 ? O HOH A-3 232 1 
HETATM 7385 O O . HOH C-3 3 . . 68.143 -21.598 12.903 1 51.93 ? O HOH A-3 233 1 
HETATM 7386 O O . HOH C-3 3 . . 56.114 -29.757 -5.637 0.99 43.01 ? O HOH A-3 234 1 
HETATM 7387 O O . HOH C-3 3 . . 61.586 -22.786 -13.149 0.63 32.96 ? O HOH A-3 235 1 
HETATM 7388 O O . HOH C-3 3 . . 62.481 -24.547 -10.165 0.92 42.77 ? O HOH A-3 236 1 
HETATM 7389 O O . HOH C-3 3 . . 80.595 -21.469 0.62 0.76 34.13 ? O HOH A-3 237 1 
HETATM 7390 O O . HOH C-3 3 . . 72.414 -27.305 6.86 1 50.5 ? O HOH A-3 238 1 
HETATM 7391 O O . HOH C-3 3 . . 71.883 -27.36 2.942 0.56 28.21 ? O HOH A-3 239 1 
HETATM 7392 O O . HOH C-3 3 . . 69.804 -26.635 -4.188 0.53 23.01 ? O HOH A-3 240 1 
HETATM 7393 O O . HOH C-3 3 . . 61.11 0 8.39 0.25 21.22 ? O HOH A-3 241 1 
HETATM 7394 O O . HOH C-3 3 . . 67.485 -6.092 -11.392 0.86 44.82 ? O HOH A-3 242 1 
HETATM 7395 O O . HOH C-3 3 . . 61.11 0 4.063 0.25 32.93 ? O HOH A-3 243 1 
HETATM 7396 O O . HOH C-3 3 . . 62.265 1.1 9.559 0.56 30.1 ? O HOH A-3 244 1 
HETATM 7397 O O . HOH C-3 3 . . 75.149 -14.031 -7.729 0.86 41.9 ? O HOH A-3 245 1 
HETATM 7398 O O . HOH C-3 3 . . 64.487 -32.322 -3.273 0.75 33.62 ? O HOH A-3 246 1 
HETATM 7399 O O . HOH C-3 3 . . 57.013 -34.315 -1.688 1 32.22 ? O HOH A-3 247 1 
HETATM 7400 O O . HOH C-3 3 . . 70.405 -9.489 -5.938 0.8 40.39 ? O HOH A-3 248 1 
HETATM 7401 O O . HOH C-3 3 . . 60.354 -1.754 0.725 0.78 36.94 ? O HOH A-3 249 1 
HETATM 7402 O O . HOH C-3 3 . . 66.772 -3.792 -12.147 1 51.54 ? O HOH A-3 250 1 
HETATM 7403 O O . HOH C-3 3 . . 62.509 -1.989 -2.018 0.84 37.76 ? O HOH A-3 251 1 
HETATM 7404 O O . HOH C-3 3 . . 71.398 -10.979 -7.472 0.91 48.64 ? O HOH A-3 252 1 
HETATM 7405 O O . HOH C-3 3 . . 69.707 -20.628 11.315 0.93 23.83 ? O HOH A-3 253 1 
HETATM 7406 O O . HOH C-3 3 . . 61.18 -23.496 -5.649 0.79 23.83 ? O HOH A-3 254 1 
HETATM 7407 O O . HOH C-3 3 . . 68.81 -25.22 -5.91 0.59 27.05 ? O HOH A-3 255 1 
HETATM 7408 O O . HOH C-3 3 . . 63.772 -24.474 -6.177 0.69 31.25 ? O HOH A-3 256 1 
HETATM 7409 O O . HOH C-3 3 . . 70.862 -18.165 -7.054 0.9 25.75 ? O HOH A-3 257 1 
HETATM 7410 O O . HOH C-3 3 . . 66.768 -24.954 2.278 1 18.27 ? O HOH A-3 258 1 
HETATM 7411 O O . HOH C-3 3 . . 69.906 -26.44 4.557 1 25.69 ? O HOH A-3 259 1 
HETATM 7412 O O . HOH C-3 3 . . 60.32 -25.943 11.916 0.84 28.3 ? O HOH A-3 260 1 
HETATM 7413 O O . HOH C-3 3 . . 66.155 -24.499 -6.076 1 43.74 ? O HOH A-3 261 1 
HETATM 7414 O O . HOH C-3 3 . . 59.416 -21.355 -7.825 0.49 28.43 ? O HOH A-3 262 1 
HETATM 7415 O O . HOH C-3 3 . . 62.773 -15.534 11.33 0.72 13.31 ? O HOH A-3 263 1 
HETATM 7416 O O . HOH C-3 3 . . 72.613 -19.788 -5.338 0.71 28.22 ? O HOH A-3 264 1 
HETATM 7417 O O . HOH C-3 3 . . 76.743 -18.148 -5.755 1 46.41 ? O HOH A-3 265 1 
HETATM 7418 O O . HOH C-3 3 . . 71.934 -22.866 11.831 1 56.17 ? O HOH A-3 266 1 
HETATM 7419 O O . HOH C-3 3 . . 71.858 -22.743 -6.993 0.84 46.35 ? O HOH A-3 267 1 
HETATM 7420 O O . HOH C-3 3 . . 74.352 -18.764 -3.277 0.49 16.58 ? O HOH A-3 268 1 
HETATM 7421 O O . HOH C-3 3 . . 63.072 -30.611 -4.834 0.94 33.82 ? O HOH A-3 269 1 
HETATM 7422 O O . HOH C-3 3 . . 75.556 -21.924 -5.08 1 42.21 ? O HOH A-3 270 1 
HETATM 7423 O O . HOH C-3 3 . . 71.931 -25.47 8.578 0.81 35.46 ? O HOH A-3 271 1 
HETATM 7424 O O . HOH C-3 3 . . 64.191 -29.895 -6.013 0.9 51.71 ? O HOH A-3 272 1 
HETATM 7425 O O . HOH C-3 3 . . 59.709 -28.109 -7.69 0.84 42.39 ? O HOH A-3 273 1 
HETATM 7426 O O . HOH C-3 3 . . 61.11 0 -0.314 0.25 27.92 ? O HOH A-3 274 1 
HETATM 7427 O O . HOH C-3 3 . . 51.053 -19.812 16.361 0.9 46.88 ? O HOH A-3 275 1 
HETATM 7428 O O . HOH C-3 3 . . 71.971 -11.37 -9.054 0.86 48.03 ? O HOH A-3 276 1 
HETATM 7429 O O . HOH C-4 3 . . 49.61 -25.467 -3.858 1 26.63 ? O HOH A-4 201 1 
HETATM 7430 O O . HOH C-4 3 . . 31.098 -15.943 8.336 0.92 41.81 ? O HOH A-4 202 1 
HETATM 7431 O O . HOH C-4 3 . . 45.817 -5.924 13.237 0.59 18.67 ? O HOH A-4 203 1 
HETATM 7432 O O . HOH C-4 3 . . 56.38 -16.517 -5.667 0.69 26.85 ? O HOH A-4 204 1 
HETATM 7433 O O . HOH C-4 3 . . 32.084 -14.324 5.3 0.73 26.76 ? O HOH A-4 205 1 
HETATM 7434 O O . HOH C-4 3 . . 43.89 -8.172 -11.405 0.36 20.7 ? O HOH A-4 206 1 
HETATM 7435 O O . HOH C-4 3 . . 38.559 -23.025 8.243 0.48 22.84 ? O HOH A-4 207 1 
HETATM 7436 O O . HOH C-4 3 . . 61.266 -4.058 4.61 0.87 40.55 ? O HOH A-4 208 1 
HETATM 7437 O O . HOH C-4 3 . . 50.757 -3.975 -6.903 0.53 20.65 ? O HOH A-4 209 1 
HETATM 7438 O O . HOH C-4 3 . . 51.626 -9.096 -13.054 0.56 33.66 ? O HOH A-4 210 1 
HETATM 7439 O O . HOH C-4 3 . . 30.044 -12.714 1.223 0.72 19.8 ? O HOH A-4 211 1 
HETATM 7440 O O . HOH C-4 3 . . 48.152 -15.401 12.979 0.66 26.42 ? O HOH A-4 212 1 
HETATM 7441 O O . HOH C-4 3 . . 48.476 -14.905 -10.634 0.79 38.56 ? O HOH A-4 213 1 
HETATM 7442 O O . HOH C-4 3 . . 57.715 -2.029 1.827 1 20.6 ? O HOH A-4 214 1 
HETATM 7443 O O . HOH C-4 3 . . 30.574 -13.385 2.845 0.77 36.25 ? O HOH A-4 215 1 
HETATM 7444 O O . HOH C-4 3 . . 44.752 -22.149 -2.921 0.4 19.08 ? O HOH A-4 216 1 
HETATM 7445 O O . HOH C-4 3 . . 59.321 -4.251 -0.453 0.47 15.35 ? O HOH A-4 217 1 
HETATM 7446 O O . HOH C-4 3 . . 51.127 -5.148 15.2 0.68 31.28 ? O HOH A-4 218 1 
HETATM 7447 O O . HOH C-4 3 . . 57.286 -8.126 6.047 0.79 12.58 ? O HOH A-4 219 1 
HETATM 7448 O O . HOH C-4 3 . . 57.736 -13.306 11.545 1 25.32 ? O HOH A-4 220 1 
HETATM 7449 O O . HOH C-4 3 . . 50.398 -7.357 12.586 0.87 38.34 ? O HOH A-4 221 1 
HETATM 7450 O O . HOH C-4 3 . . 37.384 -9.538 -6.044 0.77 24.71 ? O HOH A-4 222 1 
HETATM 7451 O O . HOH C-4 3 . . 57.551 -11.923 14.342 0.79 26.67 ? O HOH A-4 223 1 
HETATM 7452 O O . HOH C-4 3 . . 51.57 -11.43 -12.187 0.79 29.98 ? O HOH A-4 224 1 
HETATM 7453 O O . HOH C-4 3 . . 54.776 -26.343 1.827 1 22.82 ? O HOH A-4 225 1 
HETATM 7454 O O . HOH C-4 3 . . 62.076 -4.564 10.892 0.5 22.94 ? O HOH A-4 226 1 
HETATM 7455 O O . HOH C-4 3 . . 39.646 -12.77 14.304 0.8 40.1 ? O HOH A-4 227 1 
HETATM 7456 O O . HOH C-4 3 . . 54.25 -12.994 14.903 1 36.69 ? O HOH A-4 228 1 
HETATM 7457 O O . HOH C-4 3 . . 53.605 -0.542 -4.502 0.3 11.19 ? O HOH A-4 229 1 
HETATM 7458 O O . HOH C-4 3 . . 55.471 -17.528 -7.018 1 50.88 ? O HOH A-4 230 1 
HETATM 7459 O O . HOH C-4 3 . . 46.653 -24.236 -3.535 0.73 30.65 ? O HOH A-4 231 1 
HETATM 7460 O O . HOH C-4 3 . . 52.898 -17.88 -7.562 0.8 43.23 ? O HOH A-4 232 1 
HETATM 7461 O O . HOH C-4 3 . . 45.922 -16.89 12.903 1 51.93 ? O HOH A-4 233 1 
HETATM 7462 O O . HOH C-4 3 . . 32.842 -10.552 -5.637 0.99 43.01 ? O HOH A-4 234 1 
HETATM 7463 O O . HOH C-4 3 . . 41.615 -11.805 -13.149 0.63 32.96 ? O HOH A-4 235 1 
HETATM 7464 O O . HOH C-4 3 . . 40.537 -13.461 -10.165 0.92 42.77 ? O HOH A-4 236 1 
HETATM 7465 O O . HOH C-4 3 . . 52.26 -27.609 0.62 0.76 34.13 ? O HOH A-4 237 1 
HETATM 7466 O O . HOH C-4 3 . . 43.115 -23.442 6.86 1 50.5 ? O HOH A-4 238 1 
HETATM 7467 O O . HOH C-4 3 . . 42.802 -23.01 2.942 0.56 28.21 ? O HOH A-4 239 1 
HETATM 7468 O O . HOH C-4 3 . . 42.39 -20.847 -4.188 0.53 23.01 ? O HOH A-4 240 1 
HETATM 7469 O O . HOH C-4 3 . . 61.11 0 8.39 0.25 21.22 ? O HOH A-4 241 1 
HETATM 7470 O O . HOH C-4 3 . . 59.022 -8.567 -11.392 0.86 44.82 ? O HOH A-4 242 1 
HETATM 7471 O O . HOH C-4 3 . . 61.11 0 4.063 0.25 32.93 ? O HOH A-4 243 1 
HETATM 7472 O O . HOH C-4 3 . . 62.64 -0.45 9.559 0.56 30.1 ? O HOH A-4 244 1 
HETATM 7473 O O . HOH C-4 3 . . 55.978 -19.174 -7.729 0.86 41.9 ? O HOH A-4 245 1 
HETATM 7474 O O . HOH C-4 3 . . 34.807 -19.085 -3.273 0.75 33.62 ? O HOH A-4 246 1 
HETATM 7475 O O . HOH C-4 3 . . 29.344 -13.609 -1.688 1 32.22 ? O HOH A-4 247 1 
HETATM 7476 O O . HOH C-4 3 . . 57.54 -12.794 -5.938 0.8 40.39 ? O HOH A-4 248 1 
HETATM 7477 O O . HOH C-4 3 . . 59.213 -0.222 0.725 0.78 36.94 ? O HOH A-4 249 1 
HETATM 7478 O O . HOH C-4 3 . . 60.657 -6.8 -12.147 1 51.54 ? O HOH A-4 250 1 
HETATM 7479 O O . HOH C-4 3 . . 60.087 -2.206 -2.018 0.84 37.76 ? O HOH A-4 251 1 
HETATM 7480 O O . HOH C-4 3 . . 56.746 -14.399 -7.472 0.91 48.64 ? O HOH A-4 252 1 
HETATM 7481 O O . HOH C-4 3 . . 47.544 -17.759 11.315 0.93 23.83 ? O HOH A-4 253 1 
HETATM 7482 O O . HOH C-4 3 . . 40.797 -11.809 -5.649 0.79 23.83 ? O HOH A-4 254 1 
HETATM 7483 O O . HOH C-4 3 . . 43.119 -19.278 -5.91 0.59 27.05 ? O HOH A-4 255 1 
HETATM 7484 O O . HOH C-4 3 . . 41.246 -14.542 -6.177 0.69 31.25 ? O HOH A-4 256 1 
HETATM 7485 O O . HOH C-4 3 . . 50.255 -17.528 -7.054 0.9 25.75 ? O HOH A-4 257 1 
HETATM 7486 O O . HOH C-4 3 . . 42.328 -17.377 2.278 1 18.27 ? O HOH A-4 258 1 
HETATM 7487 O O . HOH C-4 3 . . 42.61 -20.838 4.557 1 25.69 ? O HOH A-4 259 1 
HETATM 7488 O O . HOH C-4 3 . . 38.248 -12.287 11.916 0.84 28.3 ? O HOH A-4 260 1 
HETATM 7489 O O . HOH C-4 3 . . 42.416 -16.619 -6.076 1 43.74 ? O HOH A-4 261 1 
HETATM 7490 O O . HOH C-4 3 . . 41.769 -9.21 -7.825 0.49 28.43 ? O HOH A-4 262 1 
HETATM 7491 O O . HOH C-4 3 . . 48.489 -9.207 11.33 0.72 13.31 ? O HOH A-4 263 1 
HETATM 7492 O O . HOH C-4 3 . . 49.725 -19.856 -5.338 0.71 28.22 ? O HOH A-4 264 1 
HETATM 7493 O O . HOH C-4 3 . . 53.21 -22.613 -5.755 1 46.41 ? O HOH A-4 265 1 
HETATM 7494 O O . HOH C-4 3 . . 46.72 -20.807 11.831 1 56.17 ? O HOH A-4 266 1 
HETATM 7495 O O . HOH C-4 3 . . 46.788 -20.679 -6.993 0.84 46.35 ? O HOH A-4 267 1 
HETATM 7496 O O . HOH C-4 3 . . 51.481 -20.85 -3.277 0.49 16.58 ? O HOH A-4 268 1 
HETATM 7497 O O . HOH C-4 3 . . 35.581 -17.005 -4.834 0.94 33.82 ? O HOH A-4 269 1 
HETATM 7498 O O . HOH C-4 3 . . 49.346 -23.473 -5.08 1 42.21 ? O HOH A-4 270 1 
HETATM 7499 O O . HOH C-4 3 . . 44.463 -22.106 8.578 0.81 35.46 ? O HOH A-4 271 1 
HETATM 7500 O O . HOH C-4 3 . . 36.761 -17.616 -6.013 0.9 51.71 ? O HOH A-4 272 1 
HETATM 7501 O O . HOH C-4 3 . . 36.066 -12.841 -7.69 0.84 42.39 ? O HOH A-4 273 1 
HETATM 7502 O O . HOH C-4 3 . . 61.11 0 -0.314 0.25 27.92 ? O HOH A-4 274 1 
HETATM 7503 O O . HOH C-4 3 . . 38.924 -1.196 16.361 0.9 46.88 ? O HOH A-4 275 1 
HETATM 7504 O O . HOH C-4 3 . . 56.694 -15.091 -9.054 0.86 48.03 ? O HOH A-4 276 1 
HETATM 7505 O O . HOH C-5 3 . . 88.915 2.774 -3.858 1 26.63 ? O HOH A-5 201 1 
HETATM 7506 O O . HOH C-5 3 . . 89.923 -18.02 8.336 0.92 41.81 ? O HOH A-5 202 1 
HETATM 7507 O O . HOH C-5 3 . . 73.887 -10.282 13.237 0.59 18.67 ? O HOH A-5 203 1 
HETATM 7508 O O . HOH C-5 3 . . 77.779 4.162 -5.667 0.69 26.85 ? O HOH A-5 204 1 
HETATM 7509 O O . HOH C-5 3 . . 88.028 -17.975 5.3 0.73 26.76 ? O HOH A-5 205 1 
HETATM 7510 O O . HOH C-5 3 . . 76.797 -10.827 -11.405 0.36 20.7 ? O HOH A-5 206 1 
HETATM 7511 O O . HOH C-5 3 . . 92.326 -8.017 8.243 0.48 22.84 ? O HOH A-5 207 1 
HETATM 7512 O O . HOH C-5 3 . . 64.546 2.164 4.61 0.87 40.55 ? O HOH A-5 208 1 
HETATM 7513 O O . HOH C-5 3 . . 69.729 -6.978 -6.903 0.53 20.65 ? O HOH A-5 209 1 
HETATM 7514 O O . HOH C-5 3 . . 73.729 -3.665 -13.054 0.56 33.66 ? O HOH A-5 210 1 
HETATM 7515 O O . HOH C-5 3 . . 87.654 -20.547 1.223 0.72 19.8 ? O HOH A-5 211 1 
HETATM 7516 O O . HOH C-5 3 . . 80.927 -3.521 12.979 0.66 26.42 ? O HOH A-5 212 1 
HETATM 7517 O O . HOH C-5 3 . . 80.335 -3.489 -10.634 0.79 38.56 ? O HOH A-5 213 1 
HETATM 7518 O O . HOH C-5 3 . . 64.565 -1.926 1.827 1 20.6 ? O HOH A-5 214 1 
HETATM 7519 O O . HOH C-5 3 . . 87.97 -19.752 2.845 0.77 36.25 ? O HOH A-5 215 1 
HETATM 7520 O O . HOH C-5 3 . . 88.471 -3.092 -2.921 0.4 19.08 ? O HOH A-5 216 1 
HETATM 7521 O O . HOH C-5 3 . . 65.686 0.576 -0.453 0.47 15.35 ? O HOH A-5 217 1 
HETATM 7522 O O . HOH C-5 3 . . 70.56 -6.072 15.2 0.68 31.28 ? O HOH A-5 218 1 
HETATM 7523 O O . HOH C-5 3 . . 70.059 0.751 6.047 0.79 12.58 ? O HOH A-5 219 1 
HETATM 7524 O O . HOH C-5 3 . . 74.32 3.731 11.545 1 25.32 ? O HOH A-5 220 1 
HETATM 7525 O O . HOH C-5 3 . . 72.837 -5.598 12.586 0.87 38.34 ? O HOH A-5 221 1 
HETATM 7526 O O . HOH C-5 3 . . 81.233 -15.778 -6.044 0.77 24.71 ? O HOH A-5 222 1 
HETATM 7527 O O . HOH C-5 3 . . 73.215 2.879 14.342 0.79 26.67 ? O HOH A-5 223 1 
HETATM 7528 O O . HOH C-5 3 . . 75.779 -2.547 -12.187 0.79 29.98 ? O HOH A-5 224 1 
HETATM 7529 O O . HOH C-5 3 . . 87.091 7.686 1.827 1 22.82 ? O HOH A-5 225 1 
HETATM 7530 O O . HOH C-5 3 . . 64.58 3.119 10.892 0.5 22.94 ? O HOH A-5 226 1 
HETATM 7531 O O . HOH C-5 3 . . 82.901 -12.203 14.304 0.8 40.1 ? O HOH A-5 227 1 
HETATM 7532 O O . HOH C-5 3 . . 75.793 0.556 14.903 1 36.69 ? O HOH A-5 228 1 
HETATM 7533 O O . HOH C-5 3 . . 65.332 -6.229 -4.502 0.3 11.19 ? O HOH A-5 229 1 
HETATM 7534 O O . HOH C-5 3 . . 79.109 3.88 -7.018 1 50.88 ? O HOH A-5 230 1 
HETATM 7535 O O . HOH C-5 3 . . 89.327 -0.402 -3.535 0.73 30.65 ? O HOH A-5 231 1 
HETATM 7536 O O . HOH C-5 3 . . 80.701 1.828 -7.562 0.8 43.23 ? O HOH A-5 232 1 
HETATM 7537 O O . HOH C-5 3 . . 83.331 -4.708 12.903 1 51.93 ? O HOH A-5 233 1 
HETATM 7538 O O . HOH C-5 3 . . 84.382 -19.205 -5.637 0.99 43.01 ? O HOH A-5 234 1 
HETATM 7539 O O . HOH C-5 3 . . 81.081 -10.981 -13.149 0.63 32.96 ? O HOH A-5 235 1 
HETATM 7540 O O . HOH C-5 3 . . 83.054 -11.086 -10.165 0.92 42.77 ? O HOH A-5 236 1 
HETATM 7541 O O . HOH C-5 3 . . 89.445 6.14 0.62 0.76 34.13 ? O HOH A-5 237 1 
HETATM 7542 O O . HOH C-5 3 . . 90.409 -3.863 6.86 1 50.5 ? O HOH A-5 238 1 
HETATM 7543 O O . HOH C-5 3 . . 90.191 -4.35 2.942 0.56 28.21 ? O HOH A-5 239 1 
HETATM 7544 O O . HOH C-5 3 . . 88.524 -5.788 -4.188 0.53 23.01 ? O HOH A-5 240 1 
HETATM 7545 O O . HOH C-5 3 . . 61.11 0 8.39 0.25 21.22 ? O HOH A-5 241 1 
HETATM 7546 O O . HOH C-5 3 . . 69.573 2.475 -11.392 0.86 44.82 ? O HOH A-5 242 1 
HETATM 7547 O O . HOH C-5 3 . . 61.11 0 4.063 0.25 32.93 ? O HOH A-5 243 1 
HETATM 7548 O O . HOH C-5 3 . . 60.735 1.55 9.559 0.56 30.1 ? O HOH A-5 244 1 
HETATM 7549 O O . HOH C-5 3 . . 80.281 5.143 -7.729 0.86 41.9 ? O HOH A-5 245 1 
HETATM 7550 O O . HOH C-5 3 . . 90.79 -13.237 -3.273 0.75 33.62 ? O HOH A-5 246 1 
HETATM 7551 O O . HOH C-5 3 . . 88.779 -20.706 -1.688 1 32.22 ? O HOH A-5 247 1 
HETATM 7552 O O . HOH C-5 3 . . 73.975 3.305 -5.938 0.8 40.39 ? O HOH A-5 248 1 
HETATM 7553 O O . HOH C-5 3 . . 62.251 -1.532 0.725 0.78 36.94 ? O HOH A-5 249 1 
HETATM 7554 O O . HOH C-5 3 . . 67.225 3.008 -12.147 1 51.54 ? O HOH A-5 250 1 
HETATM 7555 O O . HOH C-5 3 . . 63.532 0.217 -2.018 0.84 37.76 ? O HOH A-5 251 1 
HETATM 7556 O O . HOH C-5 3 . . 75.762 3.42 -7.472 0.91 48.64 ? O HOH A-5 252 1 
HETATM 7557 O O . HOH C-5 3 . . 83.273 -2.869 11.315 0.93 23.83 ? O HOH A-5 253 1 
HETATM 7558 O O . HOH C-5 3 . . 81.493 -11.687 -5.649 0.79 23.83 ? O HOH A-5 254 1 
HETATM 7559 O O . HOH C-5 3 . . 86.801 -5.942 -5.91 0.59 27.05 ? O HOH A-5 255 1 
HETATM 7560 O O . HOH C-5 3 . . 83.636 -9.932 -6.177 0.69 31.25 ? O HOH A-5 256 1 
HETATM 7561 O O . HOH C-5 3 . . 81.717 -0.637 -7.054 0.9 25.75 ? O HOH A-5 257 1 
HETATM 7562 O O . HOH C-5 3 . . 85.55 -7.577 2.278 1 18.27 ? O HOH A-5 258 1 
HETATM 7563 O O . HOH C-5 3 . . 88.406 -5.602 4.557 1 25.69 ? O HOH A-5 259 1 
HETATM 7564 O O . HOH C-5 3 . . 83.182 -13.656 11.916 0.84 28.3 ? O HOH A-5 260 1 
HETATM 7565 O O . HOH C-5 3 . . 84.849 -7.88 -6.076 1 43.74 ? O HOH A-5 261 1 
HETATM 7566 O O . HOH C-5 3 . . 78.757 -12.145 -7.825 0.49 28.43 ? O HOH A-5 262 1 
HETATM 7567 O O . HOH C-5 3 . . 75.394 -6.327 11.33 0.72 13.31 ? O HOH A-5 263 1 
HETATM 7568 O O . HOH C-5 3 . . 83.998 0.068 -5.338 0.71 28.22 ? O HOH A-5 264 1 
HETATM 7569 O O . HOH C-5 3 . . 84.643 4.465 -5.755 1 46.41 ? O HOH A-5 265 1 
HETATM 7570 O O . HOH C-5 3 . . 86.324 -2.059 11.831 1 56.17 ? O HOH A-5 266 1 
HETATM 7571 O O . HOH C-5 3 . . 86.18 -2.064 -6.993 0.84 46.35 ? O HOH A-5 267 1 
HETATM 7572 O O . HOH C-5 3 . . 83.981 2.086 -3.277 0.49 16.58 ? O HOH A-5 268 1 
HETATM 7573 O O . HOH C-5 3 . . 88.601 -13.606 -4.834 0.94 33.82 ? O HOH A-5 269 1 
HETATM 7574 O O . HOH C-5 3 . . 87.32 1.549 -5.08 1 42.21 ? O HOH A-5 270 1 
HETATM 7575 O O . HOH C-5 3 . . 88.578 -3.364 8.578 0.81 35.46 ? O HOH A-5 271 1 
HETATM 7576 O O . HOH C-5 3 . . 88.54 -12.279 -6.013 0.9 51.71 ? O HOH A-5 272 1 
HETATM 7577 O O . HOH C-5 3 . . 84.753 -15.268 -7.69 0.84 42.39 ? O HOH A-5 273 1 
HETATM 7578 O O . HOH C-5 3 . . 61.11 0 -0.314 0.25 27.92 ? O HOH A-5 274 1 
HETATM 7579 O O . HOH C-5 3 . . 73.239 -18.616 16.361 0.9 46.88 ? O HOH A-5 275 1 
HETATM 7580 O O . HOH C-5 3 . . 76.387 3.721 -9.054 0.86 48.03 ? O HOH A-5 276 1 
HETATM 7581 O O . HOH C-6 3 . . 44.805 22.693 -3.858 1 26.63 ? O HOH A-6 201 1 
HETATM 7582 O O . HOH C-6 3 . . 62.309 33.963 8.336 0.92 41.81 ? O HOH A-6 202 1 
HETATM 7583 O O . HOH C-6 3 . . 63.626 16.206 13.237 0.59 18.67 ? O HOH A-6 203 1 
HETATM 7584 O O . HOH C-6 3 . . 49.171 12.355 -5.667 0.69 26.85 ? O HOH A-6 204 1 
HETATM 7585 O O . HOH C-6 3 . . 63.218 32.299 5.3 0.73 26.76 ? O HOH A-6 205 1 
HETATM 7586 O O . HOH C-6 3 . . 62.643 18.999 -11.405 0.36 20.7 ? O HOH A-6 206 1 
HETATM 7587 O O . HOH C-6 3 . . 52.445 31.042 8.243 0.48 22.84 ? O HOH A-6 207 1 
HETATM 7588 O O . HOH C-6 3 . . 57.518 1.894 4.61 0.87 40.55 ? O HOH A-6 208 1 
HETATM 7589 O O . HOH C-6 3 . . 62.844 10.953 -6.903 0.53 20.65 ? O HOH A-6 209 1 
HETATM 7590 O O . HOH C-6 3 . . 57.975 12.761 -13.054 0.56 33.66 ? O HOH A-6 210 1 
HETATM 7591 O O . HOH C-6 3 . . 65.632 33.261 1.223 0.72 19.8 ? O HOH A-6 211 1 
HETATM 7592 O O . HOH C-6 3 . . 54.251 18.922 12.979 0.66 26.42 ? O HOH A-6 212 1 
HETATM 7593 O O . HOH C-6 3 . . 54.519 18.394 -10.634 0.79 38.56 ? O HOH A-6 213 1 
HETATM 7594 O O . HOH C-6 3 . . 61.05 3.955 1.827 1 20.6 ? O HOH A-6 214 1 
HETATM 7595 O O . HOH C-6 3 . . 64.786 33.137 2.845 0.77 36.25 ? O HOH A-6 215 1 
HETATM 7596 O O . HOH C-6 3 . . 50.107 25.241 -2.921 0.4 19.08 ? O HOH A-6 216 1 
HETATM 7597 O O . HOH C-6 3 . . 58.323 3.675 -0.453 0.47 15.35 ? O HOH A-6 217 1 
HETATM 7598 O O . HOH C-6 3 . . 61.643 11.22 15.2 0.68 31.28 ? O HOH A-6 218 1 
HETATM 7599 O O . HOH C-6 3 . . 55.985 7.375 6.047 0.79 12.58 ? O HOH A-6 219 1 
HETATM 7600 O O . HOH C-6 3 . . 51.274 9.575 11.545 1 25.32 ? O HOH A-6 220 1 
HETATM 7601 O O . HOH C-6 3 . . 60.095 12.955 12.586 0.87 38.34 ? O HOH A-6 221 1 
HETATM 7602 O O . HOH C-6 3 . . 64.713 25.316 -6.044 0.77 24.71 ? O HOH A-6 222 1 
HETATM 7603 O O . HOH C-6 3 . . 52.564 9.044 14.342 0.79 26.67 ? O HOH A-6 223 1 
HETATM 7604 O O . HOH C-6 3 . . 55.981 13.977 -12.187 0.79 29.98 ? O HOH A-6 224 1 
HETATM 7605 O O . HOH C-6 3 . . 41.463 18.657 1.827 1 22.82 ? O HOH A-6 225 1 
HETATM 7606 O O . HOH C-6 3 . . 56.674 1.445 10.892 0.5 22.94 ? O HOH A-6 226 1 
HETATM 7607 O O . HOH C-6 3 . . 60.783 24.973 14.304 0.8 40.1 ? O HOH A-6 227 1 
HETATM 7608 O O . HOH C-6 3 . . 53.287 12.438 14.903 1 36.69 ? O HOH A-6 228 1 
HETATM 7609 O O . HOH C-6 3 . . 64.393 6.771 -4.502 0.3 11.19 ? O HOH A-6 229 1 
HETATM 7610 O O . HOH C-6 3 . . 48.75 13.648 -7.018 1 50.88 ? O HOH A-6 230 1 
HETATM 7611 O O . HOH C-6 3 . . 47.35 24.638 -3.535 0.73 30.65 ? O HOH A-6 231 1 
HETATM 7612 O O . HOH C-6 3 . . 49.731 16.052 -7.562 0.8 43.23 ? O HOH A-6 232 1 
HETATM 7613 O O . HOH C-6 3 . . 54.077 21.598 12.903 1 51.93 ? O HOH A-6 233 1 
HETATM 7614 O O . HOH C-6 3 . . 66.106 29.757 -5.637 0.99 43.01 ? O HOH A-6 234 1 
HETATM 7615 O O . HOH C-6 3 . . 60.634 22.786 -13.149 0.63 32.96 ? O HOH A-6 235 1 
HETATM 7616 O O . HOH C-6 3 . . 59.739 24.547 -10.165 0.92 42.77 ? O HOH A-6 236 1 
HETATM 7617 O O . HOH C-6 3 . . 41.625 21.469 0.62 0.76 34.13 ? O HOH A-6 237 1 
HETATM 7618 O O . HOH C-6 3 . . 49.806 27.305 6.86 1 50.5 ? O HOH A-6 238 1 
HETATM 7619 O O . HOH C-6 3 . . 50.337 27.36 2.942 0.56 28.21 ? O HOH A-6 239 1 
HETATM 7620 O O . HOH C-6 3 . . 52.416 26.635 -4.188 0.53 23.01 ? O HOH A-6 240 1 
HETATM 7621 O O . HOH C-6 3 . . 61.11 0 8.39 0.25 21.22 ? O HOH A-6 241 1 
HETATM 7622 O O . HOH C-6 3 . . 54.735 6.092 -11.392 0.86 44.82 ? O HOH A-6 242 1 
HETATM 7623 O O . HOH C-6 3 . . 61.11 0 4.063 0.25 32.93 ? O HOH A-6 243 1 
HETATM 7624 O O . HOH C-6 3 . . 59.955 -1.1 9.559 0.56 30.1 ? O HOH A-6 244 1 
HETATM 7625 O O . HOH C-6 3 . . 47.071 14.031 -7.729 0.86 41.9 ? O HOH A-6 245 1 
HETATM 7626 O O . HOH C-6 3 . . 57.733 32.322 -3.273 0.75 33.62 ? O HOH A-6 246 1 
HETATM 7627 O O . HOH C-6 3 . . 65.207 34.315 -1.688 1 32.22 ? O HOH A-6 247 1 
HETATM 7628 O O . HOH C-6 3 . . 51.815 9.489 -5.938 0.8 40.39 ? O HOH A-6 248 1 
HETATM 7629 O O . HOH C-6 3 . . 61.866 1.754 0.725 0.78 36.94 ? O HOH A-6 249 1 
HETATM 7630 O O . HOH C-6 3 . . 55.448 3.792 -12.147 1 51.54 ? O HOH A-6 250 1 
HETATM 7631 O O . HOH C-6 3 . . 59.711 1.989 -2.018 0.84 37.76 ? O HOH A-6 251 1 
HETATM 7632 O O . HOH C-6 3 . . 50.822 10.979 -7.472 0.91 48.64 ? O HOH A-6 252 1 
HETATM 7633 O O . HOH C-6 3 . . 52.513 20.628 11.315 0.93 23.83 ? O HOH A-6 253 1 
HETATM 7634 O O . HOH C-6 3 . . 61.04 23.496 -5.649 0.79 23.83 ? O HOH A-6 254 1 
HETATM 7635 O O . HOH C-6 3 . . 53.41 25.22 -5.91 0.59 27.05 ? O HOH A-6 255 1 
HETATM 7636 O O . HOH C-6 3 . . 58.448 24.474 -6.177 0.69 31.25 ? O HOH A-6 256 1 
HETATM 7637 O O . HOH C-6 3 . . 51.358 18.165 -7.054 0.9 25.75 ? O HOH A-6 257 1 
HETATM 7638 O O . HOH C-6 3 . . 55.452 24.954 2.278 1 18.27 ? O HOH A-6 258 1 
HETATM 7639 O O . HOH C-6 3 . . 52.314 26.44 4.557 1 25.69 ? O HOH A-6 259 1 
HETATM 7640 O O . HOH C-6 3 . . 61.9 25.943 11.916 0.84 28.3 ? O HOH A-6 260 1 
HETATM 7641 O O . HOH C-6 3 . . 56.065 24.499 -6.076 1 43.74 ? O HOH A-6 261 1 
HETATM 7642 O O . HOH C-6 3 . . 62.804 21.355 -7.825 0.49 28.43 ? O HOH A-6 262 1 
HETATM 7643 O O . HOH C-6 3 . . 59.447 15.534 11.33 0.72 13.31 ? O HOH A-6 263 1 
HETATM 7644 O O . HOH C-6 3 . . 49.607 19.788 -5.338 0.71 28.22 ? O HOH A-6 264 1 
HETATM 7645 O O . HOH C-6 3 . . 45.477 18.148 -5.755 1 46.41 ? O HOH A-6 265 1 
HETATM 7646 O O . HOH C-6 3 . . 50.286 22.866 11.831 1 56.17 ? O HOH A-6 266 1 
HETATM 7647 O O . HOH C-6 3 . . 50.362 22.743 -6.993 0.84 46.35 ? O HOH A-6 267 1 
HETATM 7648 O O . HOH C-6 3 . . 47.868 18.764 -3.277 0.49 16.58 ? O HOH A-6 268 1 
HETATM 7649 O O . HOH C-6 3 . . 59.148 30.611 -4.834 0.94 33.82 ? O HOH A-6 269 1 
HETATM 7650 O O . HOH C-6 3 . . 46.664 21.924 -5.08 1 42.21 ? O HOH A-6 270 1 
HETATM 7651 O O . HOH C-6 3 . . 50.289 25.47 8.578 0.81 35.46 ? O HOH A-6 271 1 
HETATM 7652 O O . HOH C-6 3 . . 58.029 29.895 -6.013 0.9 51.71 ? O HOH A-6 272 1 
HETATM 7653 O O . HOH C-6 3 . . 62.511 28.109 -7.69 0.84 42.39 ? O HOH A-6 273 1 
HETATM 7654 O O . HOH C-6 3 . . 61.11 0 -0.314 0.25 27.92 ? O HOH A-6 274 1 
HETATM 7655 O O . HOH C-6 3 . . 71.167 19.812 16.361 0.9 46.88 ? O HOH A-6 275 1 
HETATM 7656 O O . HOH C-6 3 . . 50.249 11.37 -9.054 0.86 48.03 ? O HOH A-6 276 1 
#
_coordinate_server_stats.molecule_cached    no 
_coordinate_server_stats.io_time_ms         46 
_coordinate_server_stats.parse_time_ms      29 
_coordinate_server_stats.query_time_ms      52 
_coordinate_server_stats.format_time_ms     63 
#