NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type
10299 1pis cing 1-original 6 unknown molecular system


!BIOSYM molecular_data 3

!DATE:      Wed Dec 21 13:14:52 1994     INSIGHT generated molecular data file 

#topology                                                                      

@column 1 element                                                              
@column 2 atom_type cvff                                                       
@column 3 charge_group cvff                                                    
@column 4 isotope                                                              
@column 5 formal_charge                                                        
@column 6 charge cvff                                                          
@column 7 switching_atom cvff                                                  
@column 8 oop_flag cvff                                                        
@column 9 chirality_flag                                                       
@column 10 occupancy                                                           
@column 11 xray_temp_factor                                                    
@column 12 connections                                                         

@molecule PLA2SOL_AVG                                                         

ALA_1:N             N  ?   pepN 0  2-  0.0000 1 0 8  1.0000  0.0000 CA 
ALA_1:CA            C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ALA_1:C             C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LEU_2:N/1.5 
ALA_1:O             O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ALA_1:CB            C  ?   meB  0  3-  0.0000 1 0 8  1.0000  0.0000 CA 
LEU_2:N             N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ALA_1:C/1.5 
LEU_2:CA            C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LEU_2:C             C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA TRP_3:N/1.5 
LEU_2:O             O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LEU_2:CB            C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
LEU_2:CG            C  ?   meG  0  1-  0.0000 1 0 8  1.0000  0.0000 CD1 CD2 CB 
LEU_2:CD1           C  ?   meD1 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
LEU_2:CD2           C  ?   meD2 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
TRP_3:N             N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LEU_2:C/1.5 
TRP_3:CA            C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
TRP_3:C             C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA GLN_4:N/1.5 
TRP_3:O             O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
TRP_3:CB            C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
TRP_3:CG            C  c=  pyro 0  0   0.0000 0 1 8  1.0000  0.0000 CD1/2.0 CD2 CB 
TRP_3:CD1           C  ?   pyro 0  1-  0.0000 0 0 8  1.0000  0.0000 NE1 CG/2.0 
TRP_3:CD2           C  c5  pyro 0  0   0.0000 0 1 8  1.0000  0.0000 CE3 CG CE2/2.0 
TRP_3:NE1           N  ?   pyro 0  1-  0.0000 1 0 8  1.0000  0.0000 CE2 CD1 
TRP_3:CE2           C  c5  pyro 0  0   0.0000 0 1 8  1.0000  0.0000 CD2/2.0 CZ2 NE1 
TRP_3:CE3           C  ?   arE3 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ3/2.0 CD2 
TRP_3:CZ2           C  ?   arZ2 0  1-  0.0000 1 0 8  1.0000  0.0000 CE2 CH2/2.0 
TRP_3:CZ3           C  ?   arZ3 0  1-  0.0000 1 0 8  1.0000  0.0000 CH2 CE3/2.0 
TRP_3:CH2           C  ?   arH2 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ2/2.0 CZ3 
GLN_4:N             N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA TRP_3:C/1.5 
GLN_4:CA            C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
GLN_4:C             C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA PHE_5:N/1.5 
GLN_4:O             O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
GLN_4:CB            C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
GLN_4:CG            C  ?   meG  0  2-  0.0000 1 0 8  1.0000  0.0000 CD CB 
GLN_4:CD            C  c'  coD  0  0   0.0000 1 1 8  1.0000  0.0000 OE1/2.0 NE2/1.5 CG 
GLN_4:OE1           O  o'  coD  0  0   0.0000 0 0 8  1.0000  0.0000 CD/2.0 
GLN_4:NE2           N  ?   amE  0  0   0.0000 1 0 8  1.0000  0.0000 CD/1.5 
PHE_5:N             N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA GLN_4:C/1.5 
PHE_5:CA            C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
PHE_5:C             C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ARG_6:N/1.5 
PHE_5:O             O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
PHE_5:CB            C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
PHE_5:CG            C  cp  arG  0  0   0.0000 1 1 8  1.0000  0.0000 CD1/1.5 CD2/1.5 CB 
PHE_5:CD1           C  ?   arD1 0  1-  0.0000 1 0 8  1.0000  0.0000 CE1/1.5 CG/1.5 
PHE_5:CD2           C  ?   arD2 0  1-  0.0000 1 0 8  1.0000  0.0000 CG/1.5 CE2/1.5 
PHE_5:CE1           C  ?   arE1 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ/1.5 CD1/1.5 
PHE_5:CE2           C  ?   arE2 0  1-  0.0000 1 0 8  1.0000  0.0000 CD2/1.5 CZ/1.5 
PHE_5:CZ            C  ?   arZ  0  1-  0.0000 1 0 8  1.0000  0.0000 CE2/1.5 CE1/1.5 
ARG_6:N             N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA PHE_5:C/1.5 
ARG_6:CA            C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ARG_6:C             C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA SER_7:N/1.5 
ARG_6:O             O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ARG_6:CB            C  ?   c3nc 0  2-  0.0000 0 0 8  1.0000  0.0000 CG CA 
ARG_6:CG            C  ?   c3nc 0  2-  0.0000 0 0 8  1.0000  0.0000 CD CB 
ARG_6:CD            C  ?   c3nc 0  2-  0.0000 1 0 8  1.0000  0.0000 NE CG 
ARG_6:NE            N  n=  c3nc 0  0   0.0000 0 0 8  1.0000  0.0000 CZ/2.0 CD 
ARG_6:CZ            C  c=  c3nc 0  0   0.0000 0 1 8  1.0000  0.0000 NH1 NH2 NE/2.0 
ARG_6:NH1           N  ?   am1  0  2-  0.0000 1 0 8  1.0000  0.0000 CZ 
ARG_6:NH2           N  ?   am2  0  2-  0.0000 1 0 8  1.0000  0.0000 CZ 
SER_7:N             N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ARG_6:C/1.5 
SER_7:CA            C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
SER_7:C             C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA MET_8:N/1.5 
SER_7:O             O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
SER_7:CB            C  ?   coh  0  2-  0.0000 0 0 8  1.0000  0.0000 OG CA 
SER_7:OG            O  o   coh  0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
MET_8:N             N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA SER_7:C/1.5 
MET_8:CA            C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
MET_8:C             C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ILE_9:N/1.5 
MET_8:O             O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
MET_8:CB            C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
MET_8:CG            C  ?   csc  0  2-  0.0000 0 0 8  1.0000  0.0000 SD CB 
MET_8:SD            S  s   csc  0  0   0.0000 1 0 8  1.0000  0.0000 CE CG 
MET_8:CE            C  ?   csc  0  3-  0.0000 0 0 8  1.0000  0.0000 SD 
ILE_9:N             N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA MET_8:C/1.5 
ILE_9:CA            C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ILE_9:C             C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LYS_10:N/1.5 
ILE_9:O             O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ILE_9:CB            C  ?   meB  0  1-  0.0000 1 0 8  1.0000  0.0000 CG2 CG1 CA 
ILE_9:CG1           C  ?   meG1 0  2-  0.0000 1 0 8  1.0000  0.0000 CD1 CB 
ILE_9:CG2           C  ?   meG2 0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
ILE_9:CD1           C  ?   meD1 0  3-  0.0000 1 0 8  1.0000  0.0000 CG1 
LYS_10:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ILE_9:C/1.5 
LYS_10:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LYS_10:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_11:N/1.5 
LYS_10:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LYS_10:CB           C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CG CA 
LYS_10:CG           C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CD CB 
LYS_10:CD           C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE CG 
LYS_10:CE           C  ?   c4n+ 0  2-  0.0000 1 0 8  1.0000  0.0000 NZ CD 
LYS_10:NZ           N  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE 
CYS_11:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LYS_10:C/1.5 
CYS_11:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_11:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ALA_12:N/1.5 
CYS_11:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_11:CB           C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_11:SG           S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_77:SG 
ALA_12:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA CYS_11:C/1.5 
ALA_12:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ALA_12:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ILE_13:N/1.5 
ALA_12:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ALA_12:CB           C  ?   meB  0  3-  0.0000 1 0 8  1.0000  0.0000 CA 
ILE_13:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ALA_12:C/1.5 
ILE_13:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ILE_13:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA PRO_14:N 
ILE_13:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ILE_13:CB           C  ?   meB  0  1-  0.0000 1 0 8  1.0000  0.0000 CG2 CG1 CA 
ILE_13:CG1          C  ?   meG1 0  2-  0.0000 1 0 8  1.0000  0.0000 CD1 CB 
ILE_13:CG2          C  ?   meG2 0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
ILE_13:CD1          C  ?   meD1 0  3-  0.0000 1 0 8  1.0000  0.0000 CG1 
PRO_14:N            N  n   pepN 0  0   0.0000 1 1 8  1.0000  0.0000 CA CD ILE_13:C 
PRO_14:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
PRO_14:CD           C  ?   pepN 0  2-  0.0000 0 0 8  1.0000  0.0000 N CG 
PRO_14:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA GLY_15:N/1.5 
PRO_14:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
PRO_14:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
PRO_14:CG           C  ?   meG  0  2-  0.0000 1 0 8  1.0000  0.0000 CD CB 
GLY_15:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA PRO_14:C/1.5 
GLY_15:CA           C  ?   pepN 0  2-  0.0000 0 0 8  1.0000  0.0000 C N 
GLY_15:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA SER_16:N/1.5 
GLY_15:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
SER_16:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA GLY_15:C/1.5 
SER_16:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
SER_16:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA HIS_17:N/1.5 
SER_16:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
SER_16:CB           C  ?   coh  0  2-  0.0000 0 0 8  1.0000  0.0000 OG CA 
SER_16:OG           O  o   coh  0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
HIS_17:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA SER_16:C/1.5 
HIS_17:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
HIS_17:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA PRO_18:N 
HIS_17:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
HIS_17:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
HIS_17:CG           C  c=  imid 0  0   0.0000 0 1 8  1.0000  0.0000 ND1 CD2/2.0 CB 
HIS_17:ND1          N  n=  imid 0  0   0.0000 0 0 8  1.0000  0.0000 CE1/2.0 CG 
HIS_17:CD2          C  ?   imid 0  1-  0.0000 0 0 8  1.0000  0.0000 CG/2.0 NE2 
HIS_17:CE1          C  ?   imid 0  1-  0.0000 1 0 8  1.0000  0.0000 NE2 ND1/2.0 
HIS_17:NE2          N  ?   imid 0  1-  0.0000 0 0 8  1.0000  0.0000 CD2 CE1 
PRO_18:N            N  n   pepN 0  0   0.0000 1 1 8  1.0000  0.0000 CA CD HIS_17:C 
PRO_18:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
PRO_18:CD           C  ?   pepN 0  2-  0.0000 0 0 8  1.0000  0.0000 N CG 
PRO_18:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LEU_19:N/1.5 
PRO_18:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
PRO_18:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
PRO_18:CG           C  ?   meG  0  2-  0.0000 1 0 8  1.0000  0.0000 CD CB 
LEU_19:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA PRO_18:C/1.5 
LEU_19:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LEU_19:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA MET_20:N/1.5 
LEU_19:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LEU_19:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
LEU_19:CG           C  ?   meG  0  1-  0.0000 1 0 8  1.0000  0.0000 CD1 CD2 CB 
LEU_19:CD1          C  ?   meD1 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
LEU_19:CD2          C  ?   meD2 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
MET_20:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LEU_19:C/1.5 
MET_20:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
MET_20:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASP_21:N/1.5 
MET_20:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
MET_20:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
MET_20:CG           C  ?   csc  0  2-  0.0000 0 0 8  1.0000  0.0000 SD CB 
MET_20:SD           S  s   csc  0  0   0.0000 1 0 8  1.0000  0.0000 CE CG 
MET_20:CE           C  ?   csc  0  3-  0.0000 0 0 8  1.0000  0.0000 SD 
ASP_21:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA MET_20:C/1.5 
ASP_21:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASP_21:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA PHE_22:N/1.5 
ASP_21:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASP_21:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASP_21:CG           C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 OD2 CB 
ASP_21:OD1          O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASP_21:OD2          O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG 
PHE_22:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASP_21:C/1.5 
PHE_22:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
PHE_22:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASN_23:N/1.5 
PHE_22:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
PHE_22:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
PHE_22:CG           C  cp  arG  0  0   0.0000 1 1 8  1.0000  0.0000 CD1/1.5 CD2/1.5 CB 
PHE_22:CD1          C  ?   arD1 0  1-  0.0000 1 0 8  1.0000  0.0000 CE1/1.5 CG/1.5 
PHE_22:CD2          C  ?   arD2 0  1-  0.0000 1 0 8  1.0000  0.0000 CG/1.5 CE2/1.5 
PHE_22:CE1          C  ?   arE1 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ/1.5 CD1/1.5 
PHE_22:CE2          C  ?   arE2 0  1-  0.0000 1 0 8  1.0000  0.0000 CD2/1.5 CZ/1.5 
PHE_22:CZ           C  ?   arZ  0  1-  0.0000 1 0 8  1.0000  0.0000 CE2/1.5 CE1/1.5 
ASN_23:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA PHE_22:C/1.5 
ASN_23:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASN_23:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASN_24:N/1.5 
ASN_23:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASN_23:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASN_23:CG           C  c'  coG  0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 ND2/1.5 CB 
ASN_23:OD1          O  o'  coG  0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASN_23:ND2          N  ?   amD  0  0   0.0000 1 0 8  1.0000  0.0000 CG/1.5 
ASN_24:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASN_23:C/1.5 
ASN_24:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASN_24:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA TYR_25:N/1.5 
ASN_24:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASN_24:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASN_24:CG           C  c'  coG  0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 ND2/1.5 CB 
ASN_24:OD1          O  o'  coG  0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASN_24:ND2          N  ?   amD  0  0   0.0000 1 0 8  1.0000  0.0000 CG/1.5 
TYR_25:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASN_24:C/1.5 
TYR_25:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
TYR_25:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA GLY_26:N/1.5 
TYR_25:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
TYR_25:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
TYR_25:CG           C  cp  arG  0  0   0.0000 1 1 8  1.0000  0.0000 CD1/1.5 CD2/1.5 CB 
TYR_25:CD1          C  ?   arD1 0  1-  0.0000 1 0 8  1.0000  0.0000 CE1/1.5 CG/1.5 
TYR_25:CD2          C  ?   arD2 0  1-  0.0000 1 0 8  1.0000  0.0000 CG/1.5 CE2/1.5 
TYR_25:CE1          C  ?   arE1 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ/1.5 CD1/1.5 
TYR_25:CE2          C  ?   arE2 0  1-  0.0000 1 0 8  1.0000  0.0000 CD2/1.5 CZ/1.5 
TYR_25:CZ           C  cp  phol 0  0   0.0000 0 1 8  1.0000  0.0000 OH CE2/1.5 CE1/1.5 
TYR_25:OH           O  o   phol 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ 
GLY_26:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA TYR_25:C/1.5 
GLY_26:CA           C  ?   pepN 0  2-  0.0000 0 0 8  1.0000  0.0000 C N 
GLY_26:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_27:N/1.5 
GLY_26:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_27:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA GLY_26:C/1.5 
CYS_27:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_27:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA TYR_28:N/1.5 
CYS_27:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_27:CB           C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_27:SG           S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_124:SG 
TYR_28:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA CYS_27:C/1.5 
TYR_28:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
TYR_28:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_29:N/1.5 
TYR_28:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
TYR_28:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
TYR_28:CG           C  cp  arG  0  0   0.0000 1 1 8  1.0000  0.0000 CD1/1.5 CD2/1.5 CB 
TYR_28:CD1          C  ?   arD1 0  1-  0.0000 1 0 8  1.0000  0.0000 CE1/1.5 CG/1.5 
TYR_28:CD2          C  ?   arD2 0  1-  0.0000 1 0 8  1.0000  0.0000 CG/1.5 CE2/1.5 
TYR_28:CE1          C  ?   arE1 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ/1.5 CD1/1.5 
TYR_28:CE2          C  ?   arE2 0  1-  0.0000 1 0 8  1.0000  0.0000 CD2/1.5 CZ/1.5 
TYR_28:CZ           C  cp  phol 0  0   0.0000 0 1 8  1.0000  0.0000 OH CE2/1.5 CE1/1.5 
TYR_28:OH           O  o   phol 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ 
CYS_29:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA TYR_28:C/1.5 
CYS_29:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_29:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA GLY_30:N/1.5 
CYS_29:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_29:CB           C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_29:SG           S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_45:SG 
GLY_30:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA CYS_29:C/1.5 
GLY_30:CA           C  ?   pepN 0  2-  0.0000 0 0 8  1.0000  0.0000 C N 
GLY_30:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LEU_31:N/1.5 
GLY_30:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LEU_31:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA GLY_30:C/1.5 
LEU_31:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LEU_31:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA GLY_32:N/1.5 
LEU_31:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LEU_31:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
LEU_31:CG           C  ?   meG  0  1-  0.0000 1 0 8  1.0000  0.0000 CD1 CD2 CB 
LEU_31:CD1          C  ?   meD1 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
LEU_31:CD2          C  ?   meD2 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
GLY_32:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LEU_31:C/1.5 
GLY_32:CA           C  ?   pepN 0  2-  0.0000 0 0 8  1.0000  0.0000 C N 
GLY_32:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA GLY_33:N/1.5 
GLY_32:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
GLY_33:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA GLY_32:C/1.5 
GLY_33:CA           C  ?   pepN 0  2-  0.0000 0 0 8  1.0000  0.0000 C N 
GLY_33:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA SER_34:N/1.5 
GLY_33:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
SER_34:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA GLY_33:C/1.5 
SER_34:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
SER_34:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA GLY_35:N/1.5 
SER_34:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
SER_34:CB           C  ?   coh  0  2-  0.0000 0 0 8  1.0000  0.0000 OG CA 
SER_34:OG           O  o   coh  0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
GLY_35:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA SER_34:C/1.5 
GLY_35:CA           C  ?   pepN 0  2-  0.0000 0 0 8  1.0000  0.0000 C N 
GLY_35:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA THR_36:N/1.5 
GLY_35:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
THR_36:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA GLY_35:C/1.5 
THR_36:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
THR_36:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA PRO_37:N 
THR_36:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
THR_36:CB           C  ?   cBoh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG2 OG1 CA 
THR_36:OG1          O  o   cBoh 0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
THR_36:CG2          C  ?   meG  0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
PRO_37:N            N  n   pepN 0  0   0.0000 1 1 8  1.0000  0.0000 CA CD THR_36:C 
PRO_37:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
PRO_37:CD           C  ?   pepN 0  2-  0.0000 0 0 8  1.0000  0.0000 N CG 
PRO_37:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA VAL_38:N/1.5 
PRO_37:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
PRO_37:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
PRO_37:CG           C  ?   meG  0  2-  0.0000 1 0 8  1.0000  0.0000 CD CB 
VAL_38:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA PRO_37:C/1.5 
VAL_38:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
VAL_38:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASP_39:N/1.5 
VAL_38:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
VAL_38:CB           C  ?   meB  0  1-  0.0000 1 0 8  1.0000  0.0000 CG1 CG2 CA 
VAL_38:CG1          C  ?   meG1 0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
VAL_38:CG2          C  ?   meG2 0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
ASP_39:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA VAL_38:C/1.5 
ASP_39:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASP_39:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA GLU_40:N/1.5 
ASP_39:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASP_39:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASP_39:CG           C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 OD2 CB 
ASP_39:OD1          O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASP_39:OD2          O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG 
GLU_40:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASP_39:C/1.5 
GLU_40:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
GLU_40:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LEU_41:N/1.5 
GLU_40:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
GLU_40:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
GLU_40:CG           C  ?   meG  0  2-  0.0000 1 0 8  1.0000  0.0000 CD CB 
GLU_40:CD           C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OE1/2.0 OE2 CG 
GLU_40:OE1          O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CD/2.0 
GLU_40:OE2          O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CD 
LEU_41:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA GLU_40:C/1.5 
LEU_41:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LEU_41:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASP_42:N/1.5 
LEU_41:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LEU_41:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
LEU_41:CG           C  ?   meG  0  1-  0.0000 1 0 8  1.0000  0.0000 CD1 CD2 CB 
LEU_41:CD1          C  ?   meD1 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
LEU_41:CD2          C  ?   meD2 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
ASP_42:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LEU_41:C/1.5 
ASP_42:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASP_42:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ARG_43:N/1.5 
ASP_42:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASP_42:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASP_42:CG           C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 OD2 CB 
ASP_42:OD1          O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASP_42:OD2          O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG 
ARG_43:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASP_42:C/1.5 
ARG_43:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ARG_43:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_44:N/1.5 
ARG_43:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ARG_43:CB           C  ?   c3nc 0  2-  0.0000 0 0 8  1.0000  0.0000 CG CA 
ARG_43:CG           C  ?   c3nc 0  2-  0.0000 0 0 8  1.0000  0.0000 CD CB 
ARG_43:CD           C  ?   c3nc 0  2-  0.0000 1 0 8  1.0000  0.0000 NE CG 
ARG_43:NE           N  n=  c3nc 0  0   0.0000 0 0 8  1.0000  0.0000 CZ/2.0 CD 
ARG_43:CZ           C  c=  c3nc 0  0   0.0000 0 1 8  1.0000  0.0000 NH1 NH2 NE/2.0 
ARG_43:NH1          N  ?   am1  0  2-  0.0000 1 0 8  1.0000  0.0000 CZ 
ARG_43:NH2          N  ?   am2  0  2-  0.0000 1 0 8  1.0000  0.0000 CZ 
CYS_44:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ARG_43:C/1.5 
CYS_44:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_44:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_45:N/1.5 
CYS_44:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_44:CB           C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_44:SG           S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_105:SG 
CYS_45:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA CYS_44:C/1.5 
CYS_45:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_45:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA GLU_46:N/1.5 
CYS_45:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_45:CB           C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_45:SG           S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_29:SG 
GLU_46:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA CYS_45:C/1.5 
GLU_46:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
GLU_46:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA THR_47:N/1.5 
GLU_46:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
GLU_46:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
GLU_46:CG           C  ?   meG  0  2-  0.0000 1 0 8  1.0000  0.0000 CD CB 
GLU_46:CD           C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OE1/2.0 OE2 CG 
GLU_46:OE1          O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CD/2.0 
GLU_46:OE2          O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CD 
THR_47:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA GLU_46:C/1.5 
THR_47:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
THR_47:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA HIS_48:N/1.5 
THR_47:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
THR_47:CB           C  ?   cBoh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG2 OG1 CA 
THR_47:OG1          O  o   cBoh 0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
THR_47:CG2          C  ?   meG  0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
HIS_48:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA THR_47:C/1.5 
HIS_48:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
HIS_48:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASP_49:N/1.5 
HIS_48:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
HIS_48:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
HIS_48:CG           C  c=  imid 0  0   0.0000 0 1 8  1.0000  0.0000 ND1 CD2/2.0 CB 
HIS_48:ND1          N  n=  imid 0  0   0.0000 0 0 8  1.0000  0.0000 CE1/2.0 CG 
HIS_48:CD2          C  ?   imid 0  1-  0.0000 0 0 8  1.0000  0.0000 CG/2.0 NE2 
HIS_48:CE1          C  ?   imid 0  1-  0.0000 1 0 8  1.0000  0.0000 NE2 ND1/2.0 
HIS_48:NE2          N  ?   imid 0  1-  0.0000 0 0 8  1.0000  0.0000 CD2 CE1 
ASP_49:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA HIS_48:C/1.5 
ASP_49:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASP_49:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASN_50:N/1.5 
ASP_49:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASP_49:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASP_49:CG           C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 OD2 CB 
ASP_49:OD1          O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASP_49:OD2          O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG 
ASN_50:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASP_49:C/1.5 
ASN_50:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASN_50:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_51:N/1.5 
ASN_50:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASN_50:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASN_50:CG           C  c'  coG  0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 ND2/1.5 CB 
ASN_50:OD1          O  o'  coG  0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASN_50:ND2          N  ?   amD  0  0   0.0000 1 0 8  1.0000  0.0000 CG/1.5 
CYS_51:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASN_50:C/1.5 
CYS_51:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_51:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA TYR_52:N/1.5 
CYS_51:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_51:CB           C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_51:SG           S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_98:SG 
TYR_52:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA CYS_51:C/1.5 
TYR_52:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
TYR_52:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ARG_53:N/1.5 
TYR_52:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
TYR_52:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
TYR_52:CG           C  cp  arG  0  0   0.0000 1 1 8  1.0000  0.0000 CD1/1.5 CD2/1.5 CB 
TYR_52:CD1          C  ?   arD1 0  1-  0.0000 1 0 8  1.0000  0.0000 CE1/1.5 CG/1.5 
TYR_52:CD2          C  ?   arD2 0  1-  0.0000 1 0 8  1.0000  0.0000 CG/1.5 CE2/1.5 
TYR_52:CE1          C  ?   arE1 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ/1.5 CD1/1.5 
TYR_52:CE2          C  ?   arE2 0  1-  0.0000 1 0 8  1.0000  0.0000 CD2/1.5 CZ/1.5 
TYR_52:CZ           C  cp  phol 0  0   0.0000 0 1 8  1.0000  0.0000 OH CE2/1.5 CE1/1.5 
TYR_52:OH           O  o   phol 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ 
ARG_53:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA TYR_52:C/1.5 
ARG_53:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ARG_53:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASP_54:N/1.5 
ARG_53:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ARG_53:CB           C  ?   c3nc 0  2-  0.0000 0 0 8  1.0000  0.0000 CG CA 
ARG_53:CG           C  ?   c3nc 0  2-  0.0000 0 0 8  1.0000  0.0000 CD CB 
ARG_53:CD           C  ?   c3nc 0  2-  0.0000 1 0 8  1.0000  0.0000 NE CG 
ARG_53:NE           N  n=  c3nc 0  0   0.0000 0 0 8  1.0000  0.0000 CZ/2.0 CD 
ARG_53:CZ           C  c=  c3nc 0  0   0.0000 0 1 8  1.0000  0.0000 NH1 NH2 NE/2.0 
ARG_53:NH1          N  ?   am1  0  2-  0.0000 1 0 8  1.0000  0.0000 CZ 
ARG_53:NH2          N  ?   am2  0  2-  0.0000 1 0 8  1.0000  0.0000 CZ 
ASP_54:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ARG_53:C/1.5 
ASP_54:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASP_54:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ALA_55:N/1.5 
ASP_54:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASP_54:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASP_54:CG           C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 OD2 CB 
ASP_54:OD1          O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASP_54:OD2          O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG 
ALA_55:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASP_54:C/1.5 
ALA_55:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ALA_55:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LYS_56:N/1.5 
ALA_55:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ALA_55:CB           C  ?   meB  0  3-  0.0000 1 0 8  1.0000  0.0000 CA 
LYS_56:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ALA_55:C/1.5 
LYS_56:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LYS_56:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASN_57:N/1.5 
LYS_56:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LYS_56:CB           C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CG CA 
LYS_56:CG           C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CD CB 
LYS_56:CD           C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE CG 
LYS_56:CE           C  ?   c4n+ 0  2-  0.0000 1 0 8  1.0000  0.0000 NZ CD 
LYS_56:NZ           N  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE 
ASN_57:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LYS_56:C/1.5 
ASN_57:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASN_57:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LEU_58:N/1.5 
ASN_57:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASN_57:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASN_57:CG           C  c'  coG  0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 ND2/1.5 CB 
ASN_57:OD1          O  o'  coG  0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASN_57:ND2          N  ?   amD  0  0   0.0000 1 0 8  1.0000  0.0000 CG/1.5 
LEU_58:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASN_57:C/1.5 
LEU_58:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LEU_58:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASP_59:N/1.5 
LEU_58:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LEU_58:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
LEU_58:CG           C  ?   meG  0  1-  0.0000 1 0 8  1.0000  0.0000 CD1 CD2 CB 
LEU_58:CD1          C  ?   meD1 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
LEU_58:CD2          C  ?   meD2 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
ASP_59:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LEU_58:C/1.5 
ASP_59:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASP_59:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA SER_60:N/1.5 
ASP_59:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASP_59:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASP_59:CG           C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 OD2 CB 
ASP_59:OD1          O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASP_59:OD2          O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG 
SER_60:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASP_59:C/1.5 
SER_60:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
SER_60:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_61:N/1.5 
SER_60:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
SER_60:CB           C  ?   coh  0  2-  0.0000 0 0 8  1.0000  0.0000 OG CA 
SER_60:OG           O  o   coh  0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
CYS_61:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA SER_60:C/1.5 
CYS_61:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_61:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LYS_62:N/1.5 
CYS_61:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_61:CB           C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_61:SG           S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_91:SG 
LYS_62:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA CYS_61:C/1.5 
LYS_62:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LYS_62:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA PHE_63:N/1.5 
LYS_62:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LYS_62:CB           C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CG CA 
LYS_62:CG           C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CD CB 
LYS_62:CD           C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE CG 
LYS_62:CE           C  ?   c4n+ 0  2-  0.0000 1 0 8  1.0000  0.0000 NZ CD 
LYS_62:NZ           N  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE 
PHE_63:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LYS_62:C/1.5 
PHE_63:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
PHE_63:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LEU_64:N/1.5 
PHE_63:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
PHE_63:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
PHE_63:CG           C  cp  arG  0  0   0.0000 1 1 8  1.0000  0.0000 CD1/1.5 CD2/1.5 CB 
PHE_63:CD1          C  ?   arD1 0  1-  0.0000 1 0 8  1.0000  0.0000 CE1/1.5 CG/1.5 
PHE_63:CD2          C  ?   arD2 0  1-  0.0000 1 0 8  1.0000  0.0000 CG/1.5 CE2/1.5 
PHE_63:CE1          C  ?   arE1 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ/1.5 CD1/1.5 
PHE_63:CE2          C  ?   arE2 0  1-  0.0000 1 0 8  1.0000  0.0000 CD2/1.5 CZ/1.5 
PHE_63:CZ           C  ?   arZ  0  1-  0.0000 1 0 8  1.0000  0.0000 CE2/1.5 CE1/1.5 
LEU_64:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA PHE_63:C/1.5 
LEU_64:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LEU_64:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA VAL_65:N/1.5 
LEU_64:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LEU_64:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
LEU_64:CG           C  ?   meG  0  1-  0.0000 1 0 8  1.0000  0.0000 CD1 CD2 CB 
LEU_64:CD1          C  ?   meD1 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
LEU_64:CD2          C  ?   meD2 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
VAL_65:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LEU_64:C/1.5 
VAL_65:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
VAL_65:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASP_66:N/1.5 
VAL_65:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
VAL_65:CB           C  ?   meB  0  1-  0.0000 1 0 8  1.0000  0.0000 CG1 CG2 CA 
VAL_65:CG1          C  ?   meG1 0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
VAL_65:CG2          C  ?   meG2 0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
ASP_66:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA VAL_65:C/1.5 
ASP_66:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASP_66:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASN_67:N/1.5 
ASP_66:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASP_66:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASP_66:CG           C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 OD2 CB 
ASP_66:OD1          O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASP_66:OD2          O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG 
ASN_67:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASP_66:C/1.5 
ASN_67:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASN_67:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA PRO_68:N 
ASN_67:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASN_67:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASN_67:CG           C  c'  coG  0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 ND2/1.5 CB 
ASN_67:OD1          O  o'  coG  0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASN_67:ND2          N  ?   amD  0  0   0.0000 1 0 8  1.0000  0.0000 CG/1.5 
PRO_68:N            N  n   pepN 0  0   0.0000 1 1 8  1.0000  0.0000 CA CD ASN_67:C 
PRO_68:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
PRO_68:CD           C  ?   pepN 0  2-  0.0000 0 0 8  1.0000  0.0000 N CG 
PRO_68:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA TYR_69:N/1.5 
PRO_68:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
PRO_68:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
PRO_68:CG           C  ?   meG  0  2-  0.0000 1 0 8  1.0000  0.0000 CD CB 
TYR_69:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA PRO_68:C/1.5 
TYR_69:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
TYR_69:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA THR_70:N/1.5 
TYR_69:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
TYR_69:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
TYR_69:CG           C  cp  arG  0  0   0.0000 1 1 8  1.0000  0.0000 CD1/1.5 CD2/1.5 CB 
TYR_69:CD1          C  ?   arD1 0  1-  0.0000 1 0 8  1.0000  0.0000 CE1/1.5 CG/1.5 
TYR_69:CD2          C  ?   arD2 0  1-  0.0000 1 0 8  1.0000  0.0000 CG/1.5 CE2/1.5 
TYR_69:CE1          C  ?   arE1 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ/1.5 CD1/1.5 
TYR_69:CE2          C  ?   arE2 0  1-  0.0000 1 0 8  1.0000  0.0000 CD2/1.5 CZ/1.5 
TYR_69:CZ           C  cp  phol 0  0   0.0000 0 1 8  1.0000  0.0000 OH CE2/1.5 CE1/1.5 
TYR_69:OH           O  o   phol 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ 
THR_70:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA TYR_69:C/1.5 
THR_70:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
THR_70:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA GLU_71:N/1.5 
THR_70:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
THR_70:CB           C  ?   cBoh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG2 OG1 CA 
THR_70:OG1          O  o   cBoh 0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
THR_70:CG2          C  ?   meG  0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
GLU_71:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA THR_70:C/1.5 
GLU_71:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
GLU_71:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA SER_72:N/1.5 
GLU_71:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
GLU_71:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
GLU_71:CG           C  ?   meG  0  2-  0.0000 1 0 8  1.0000  0.0000 CD CB 
GLU_71:CD           C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OE1/2.0 OE2 CG 
GLU_71:OE1          O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CD/2.0 
GLU_71:OE2          O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CD 
SER_72:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA GLU_71:C/1.5 
SER_72:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
SER_72:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA TYR_73:N/1.5 
SER_72:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
SER_72:CB           C  ?   coh  0  2-  0.0000 0 0 8  1.0000  0.0000 OG CA 
SER_72:OG           O  o   coh  0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
TYR_73:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA SER_72:C/1.5 
TYR_73:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
TYR_73:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA SER_74:N/1.5 
TYR_73:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
TYR_73:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
TYR_73:CG           C  cp  arG  0  0   0.0000 1 1 8  1.0000  0.0000 CD1/1.5 CD2/1.5 CB 
TYR_73:CD1          C  ?   arD1 0  1-  0.0000 1 0 8  1.0000  0.0000 CE1/1.5 CG/1.5 
TYR_73:CD2          C  ?   arD2 0  1-  0.0000 1 0 8  1.0000  0.0000 CG/1.5 CE2/1.5 
TYR_73:CE1          C  ?   arE1 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ/1.5 CD1/1.5 
TYR_73:CE2          C  ?   arE2 0  1-  0.0000 1 0 8  1.0000  0.0000 CD2/1.5 CZ/1.5 
TYR_73:CZ           C  cp  phol 0  0   0.0000 0 1 8  1.0000  0.0000 OH CE2/1.5 CE1/1.5 
TYR_73:OH           O  o   phol 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ 
SER_74:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA TYR_73:C/1.5 
SER_74:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
SER_74:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA TYR_75:N/1.5 
SER_74:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
SER_74:CB           C  ?   coh  0  2-  0.0000 0 0 8  1.0000  0.0000 OG CA 
SER_74:OG           O  o   coh  0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
TYR_75:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA SER_74:C/1.5 
TYR_75:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
TYR_75:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA SER_76:N/1.5 
TYR_75:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
TYR_75:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
TYR_75:CG           C  cp  arG  0  0   0.0000 1 1 8  1.0000  0.0000 CD1/1.5 CD2/1.5 CB 
TYR_75:CD1          C  ?   arD1 0  1-  0.0000 1 0 8  1.0000  0.0000 CE1/1.5 CG/1.5 
TYR_75:CD2          C  ?   arD2 0  1-  0.0000 1 0 8  1.0000  0.0000 CG/1.5 CE2/1.5 
TYR_75:CE1          C  ?   arE1 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ/1.5 CD1/1.5 
TYR_75:CE2          C  ?   arE2 0  1-  0.0000 1 0 8  1.0000  0.0000 CD2/1.5 CZ/1.5 
TYR_75:CZ           C  cp  phol 0  0   0.0000 0 1 8  1.0000  0.0000 OH CE2/1.5 CE1/1.5 
TYR_75:OH           O  o   phol 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ 
SER_76:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA TYR_75:C/1.5 
SER_76:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
SER_76:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_77:N/1.5 
SER_76:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
SER_76:CB           C  ?   coh  0  2-  0.0000 0 0 8  1.0000  0.0000 OG CA 
SER_76:OG           O  o   coh  0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
CYS_77:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA SER_76:C/1.5 
CYS_77:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_77:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA SER_78:N/1.5 
CYS_77:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_77:CB           C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_77:SG           S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_11:SG 
SER_78:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA CYS_77:C/1.5 
SER_78:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
SER_78:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASN_79:N/1.5 
SER_78:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
SER_78:CB           C  ?   coh  0  2-  0.0000 0 0 8  1.0000  0.0000 OG CA 
SER_78:OG           O  o   coh  0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
ASN_79:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA SER_78:C/1.5 
ASN_79:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASN_79:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA THR_80:N/1.5 
ASN_79:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASN_79:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASN_79:CG           C  c'  coG  0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 ND2/1.5 CB 
ASN_79:OD1          O  o'  coG  0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASN_79:ND2          N  ?   amD  0  0   0.0000 1 0 8  1.0000  0.0000 CG/1.5 
THR_80:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASN_79:C/1.5 
THR_80:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
THR_80:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA GLU_81:N/1.5 
THR_80:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
THR_80:CB           C  ?   cBoh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG2 OG1 CA 
THR_80:OG1          O  o   cBoh 0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
THR_80:CG2          C  ?   meG  0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
GLU_81:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA THR_80:C/1.5 
GLU_81:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
GLU_81:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ILE_82:N/1.5 
GLU_81:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
GLU_81:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
GLU_81:CG           C  ?   meG  0  2-  0.0000 1 0 8  1.0000  0.0000 CD CB 
GLU_81:CD           C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OE1/2.0 OE2 CG 
GLU_81:OE1          O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CD/2.0 
GLU_81:OE2          O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CD 
ILE_82:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA GLU_81:C/1.5 
ILE_82:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ILE_82:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA THR_83:N/1.5 
ILE_82:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ILE_82:CB           C  ?   meB  0  1-  0.0000 1 0 8  1.0000  0.0000 CG2 CG1 CA 
ILE_82:CG1          C  ?   meG1 0  2-  0.0000 1 0 8  1.0000  0.0000 CD1 CB 
ILE_82:CG2          C  ?   meG2 0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
ILE_82:CD1          C  ?   meD1 0  3-  0.0000 1 0 8  1.0000  0.0000 CG1 
THR_83:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ILE_82:C/1.5 
THR_83:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
THR_83:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_84:N/1.5 
THR_83:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
THR_83:CB           C  ?   cBoh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG2 OG1 CA 
THR_83:OG1          O  o   cBoh 0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
THR_83:CG2          C  ?   meG  0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
CYS_84:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA THR_83:C/1.5 
CYS_84:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_84:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASN_85:N/1.5 
CYS_84:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_84:CB           C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_84:SG           S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_96:SG 
ASN_85:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA CYS_84:C/1.5 
ASN_85:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASN_85:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA SER_86:N/1.5 
ASN_85:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASN_85:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASN_85:CG           C  c'  coG  0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 ND2/1.5 CB 
ASN_85:OD1          O  o'  coG  0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASN_85:ND2          N  ?   amD  0  0   0.0000 1 0 8  1.0000  0.0000 CG/1.5 
SER_86:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASN_85:C/1.5 
SER_86:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
SER_86:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LYS_87:N/1.5 
SER_86:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
SER_86:CB           C  ?   coh  0  2-  0.0000 0 0 8  1.0000  0.0000 OG CA 
SER_86:OG           O  o   coh  0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
LYS_87:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA SER_86:C/1.5 
LYS_87:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LYS_87:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASN_88:N/1.5 
LYS_87:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LYS_87:CB           C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CG CA 
LYS_87:CG           C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CD CB 
LYS_87:CD           C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE CG 
LYS_87:CE           C  ?   c4n+ 0  2-  0.0000 1 0 8  1.0000  0.0000 NZ CD 
LYS_87:NZ           N  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE 
ASN_88:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LYS_87:C/1.5 
ASN_88:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASN_88:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASN_89:N/1.5 
ASN_88:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASN_88:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASN_88:CG           C  c'  coG  0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 ND2/1.5 CB 
ASN_88:OD1          O  o'  coG  0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASN_88:ND2          N  ?   amD  0  0   0.0000 1 0 8  1.0000  0.0000 CG/1.5 
ASN_89:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASN_88:C/1.5 
ASN_89:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASN_89:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ALA_90:N/1.5 
ASN_89:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASN_89:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASN_89:CG           C  c'  coG  0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 ND2/1.5 CB 
ASN_89:OD1          O  o'  coG  0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASN_89:ND2          N  ?   amD  0  0   0.0000 1 0 8  1.0000  0.0000 CG/1.5 
ALA_90:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASN_89:C/1.5 
ALA_90:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ALA_90:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_91:N/1.5 
ALA_90:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ALA_90:CB           C  ?   meB  0  3-  0.0000 1 0 8  1.0000  0.0000 CA 
CYS_91:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ALA_90:C/1.5 
CYS_91:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_91:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA GLU_92:N/1.5 
CYS_91:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_91:CB           C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_91:SG           S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_61:SG 
GLU_92:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA CYS_91:C/1.5 
GLU_92:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
GLU_92:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ALA_93:N/1.5 
GLU_92:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
GLU_92:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
GLU_92:CG           C  ?   meG  0  2-  0.0000 1 0 8  1.0000  0.0000 CD CB 
GLU_92:CD           C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OE1/2.0 OE2 CG 
GLU_92:OE1          O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CD/2.0 
GLU_92:OE2          O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CD 
ALA_93:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA GLU_92:C/1.5 
ALA_93:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ALA_93:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA PHE_94:N/1.5 
ALA_93:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ALA_93:CB           C  ?   meB  0  3-  0.0000 1 0 8  1.0000  0.0000 CA 
PHE_94:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ALA_93:C/1.5 
PHE_94:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
PHE_94:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ILE_95:N/1.5 
PHE_94:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
PHE_94:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
PHE_94:CG           C  cp  arG  0  0   0.0000 1 1 8  1.0000  0.0000 CD1/1.5 CD2/1.5 CB 
PHE_94:CD1          C  ?   arD1 0  1-  0.0000 1 0 8  1.0000  0.0000 CE1/1.5 CG/1.5 
PHE_94:CD2          C  ?   arD2 0  1-  0.0000 1 0 8  1.0000  0.0000 CG/1.5 CE2/1.5 
PHE_94:CE1          C  ?   arE1 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ/1.5 CD1/1.5 
PHE_94:CE2          C  ?   arE2 0  1-  0.0000 1 0 8  1.0000  0.0000 CD2/1.5 CZ/1.5 
PHE_94:CZ           C  ?   arZ  0  1-  0.0000 1 0 8  1.0000  0.0000 CE2/1.5 CE1/1.5 
ILE_95:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA PHE_94:C/1.5 
ILE_95:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ILE_95:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_96:N/1.5 
ILE_95:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ILE_95:CB           C  ?   meB  0  1-  0.0000 1 0 8  1.0000  0.0000 CG2 CG1 CA 
ILE_95:CG1          C  ?   meG1 0  2-  0.0000 1 0 8  1.0000  0.0000 CD1 CB 
ILE_95:CG2          C  ?   meG2 0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
ILE_95:CD1          C  ?   meD1 0  3-  0.0000 1 0 8  1.0000  0.0000 CG1 
CYS_96:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ILE_95:C/1.5 
CYS_96:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_96:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASN_97:N/1.5 
CYS_96:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_96:CB           C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_96:SG           S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_84:SG 
ASN_97:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA CYS_96:C/1.5 
ASN_97:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASN_97:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_98:N/1.5 
ASN_97:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASN_97:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASN_97:CG           C  c'  coG  0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 ND2/1.5 CB 
ASN_97:OD1          O  o'  coG  0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASN_97:ND2          N  ?   amD  0  0   0.0000 1 0 8  1.0000  0.0000 CG/1.5 
CYS_98:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASN_97:C/1.5 
CYS_98:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_98:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASP_99:N/1.5 
CYS_98:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_98:CB           C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_98:SG           S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_51:SG 
ASP_99:N            N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA CYS_98:C/1.5 
ASP_99:CA           C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASP_99:C            C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ARG_100:N/1.5 
ASP_99:O            O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASP_99:CB           C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASP_99:CG           C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 OD2 CB 
ASP_99:OD1          O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASP_99:OD2          O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG 
ARG_100:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASP_99:C/1.5 
ARG_100:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ARG_100:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASN_101:N/1.5 
ARG_100:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ARG_100:CB          C  ?   c3nc 0  2-  0.0000 0 0 8  1.0000  0.0000 CG CA 
ARG_100:CG          C  ?   c3nc 0  2-  0.0000 0 0 8  1.0000  0.0000 CD CB 
ARG_100:CD          C  ?   c3nc 0  2-  0.0000 1 0 8  1.0000  0.0000 NE CG 
ARG_100:NE          N  n=  c3nc 0  0   0.0000 0 0 8  1.0000  0.0000 CZ/2.0 CD 
ARG_100:CZ          C  c=  c3nc 0  0   0.0000 0 1 8  1.0000  0.0000 NH1 NH2 NE/2.0 
ARG_100:NH1         N  ?   am1  0  2-  0.0000 1 0 8  1.0000  0.0000 CZ 
ARG_100:NH2         N  ?   am2  0  2-  0.0000 1 0 8  1.0000  0.0000 CZ 
ASN_101:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ARG_100:C/1.5 
ASN_101:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASN_101:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ALA_102:N/1.5 
ASN_101:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASN_101:CB          C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASN_101:CG          C  c'  coG  0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 ND2/1.5 CB 
ASN_101:OD1         O  o'  coG  0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASN_101:ND2         N  ?   amD  0  0   0.0000 1 0 8  1.0000  0.0000 CG/1.5 
ALA_102:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASN_101:C/1.5 
ALA_102:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ALA_102:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ALA_103:N/1.5 
ALA_102:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ALA_102:CB          C  ?   meB  0  3-  0.0000 1 0 8  1.0000  0.0000 CA 
ALA_103:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ALA_102:C/1.5 
ALA_103:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ALA_103:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ILE_104:N/1.5 
ALA_103:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ALA_103:CB          C  ?   meB  0  3-  0.0000 1 0 8  1.0000  0.0000 CA 
ILE_104:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ALA_103:C/1.5 
ILE_104:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ILE_104:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_105:N/1.5 
ILE_104:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ILE_104:CB          C  ?   meB  0  1-  0.0000 1 0 8  1.0000  0.0000 CG2 CG1 CA 
ILE_104:CG1         C  ?   meG1 0  2-  0.0000 1 0 8  1.0000  0.0000 CD1 CB 
ILE_104:CG2         C  ?   meG2 0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
ILE_104:CD1         C  ?   meD1 0  3-  0.0000 1 0 8  1.0000  0.0000 CG1 
CYS_105:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ILE_104:C/1.5 
CYS_105:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_105:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA PHE_106:N/1.5 
CYS_105:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_105:CB          C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_105:SG          S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_44:SG 
PHE_106:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA CYS_105:C/1.5 
PHE_106:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
PHE_106:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA SER_107:N/1.5 
PHE_106:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
PHE_106:CB          C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
PHE_106:CG          C  cp  arG  0  0   0.0000 1 1 8  1.0000  0.0000 CD1/1.5 CD2/1.5 CB 
PHE_106:CD1         C  ?   arD1 0  1-  0.0000 1 0 8  1.0000  0.0000 CE1/1.5 CG/1.5 
PHE_106:CD2         C  ?   arD2 0  1-  0.0000 1 0 8  1.0000  0.0000 CG/1.5 CE2/1.5 
PHE_106:CE1         C  ?   arE1 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ/1.5 CD1/1.5 
PHE_106:CE2         C  ?   arE2 0  1-  0.0000 1 0 8  1.0000  0.0000 CD2/1.5 CZ/1.5 
PHE_106:CZ          C  ?   arZ  0  1-  0.0000 1 0 8  1.0000  0.0000 CE2/1.5 CE1/1.5 
SER_107:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA PHE_106:C/1.5 
SER_107:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
SER_107:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LYS_108:N/1.5 
SER_107:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
SER_107:CB          C  ?   coh  0  2-  0.0000 0 0 8  1.0000  0.0000 OG CA 
SER_107:OG          O  o   coh  0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
LYS_108:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA SER_107:C/1.5 
LYS_108:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LYS_108:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ALA_109:N/1.5 
LYS_108:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LYS_108:CB          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CG CA 
LYS_108:CG          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CD CB 
LYS_108:CD          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE CG 
LYS_108:CE          C  ?   c4n+ 0  2-  0.0000 1 0 8  1.0000  0.0000 NZ CD 
LYS_108:NZ          N  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE 
ALA_109:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LYS_108:C/1.5 
ALA_109:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ALA_109:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA PRO_110:N 
ALA_109:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ALA_109:CB          C  ?   meB  0  3-  0.0000 1 0 8  1.0000  0.0000 CA 
PRO_110:N           N  n   pepN 0  0   0.0000 1 1 8  1.0000  0.0000 CA CD ALA_109:C 
PRO_110:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
PRO_110:CD          C  ?   pepN 0  2-  0.0000 0 0 8  1.0000  0.0000 N CG 
PRO_110:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA TYR_111:N/1.5 
PRO_110:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
PRO_110:CB          C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
PRO_110:CG          C  ?   meG  0  2-  0.0000 1 0 8  1.0000  0.0000 CD CB 
TYR_111:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA PRO_110:C/1.5 
TYR_111:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
TYR_111:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASN_112:N/1.5 
TYR_111:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
TYR_111:CB          C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
TYR_111:CG          C  cp  arG  0  0   0.0000 1 1 8  1.0000  0.0000 CD1/1.5 CD2/1.5 CB 
TYR_111:CD1         C  ?   arD1 0  1-  0.0000 1 0 8  1.0000  0.0000 CE1/1.5 CG/1.5 
TYR_111:CD2         C  ?   arD2 0  1-  0.0000 1 0 8  1.0000  0.0000 CG/1.5 CE2/1.5 
TYR_111:CE1         C  ?   arE1 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ/1.5 CD1/1.5 
TYR_111:CE2         C  ?   arE2 0  1-  0.0000 1 0 8  1.0000  0.0000 CD2/1.5 CZ/1.5 
TYR_111:CZ          C  cp  phol 0  0   0.0000 0 1 8  1.0000  0.0000 OH CE2/1.5 CE1/1.5 
TYR_111:OH          O  o   phol 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ 
ASN_112:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA TYR_111:C/1.5 
ASN_112:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASN_112:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LYS_113:N/1.5 
ASN_112:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASN_112:CB          C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASN_112:CG          C  c'  coG  0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 ND2/1.5 CB 
ASN_112:OD1         O  o'  coG  0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASN_112:ND2         N  ?   amD  0  0   0.0000 1 0 8  1.0000  0.0000 CG/1.5 
LYS_113:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASN_112:C/1.5 
LYS_113:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LYS_113:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA GLU_114:N/1.5 
LYS_113:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LYS_113:CB          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CG CA 
LYS_113:CG          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CD CB 
LYS_113:CD          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE CG 
LYS_113:CE          C  ?   c4n+ 0  2-  0.0000 1 0 8  1.0000  0.0000 NZ CD 
LYS_113:NZ          N  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE 
GLU_114:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LYS_113:C/1.5 
GLU_114:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
GLU_114:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA HIS_115:N/1.5 
GLU_114:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
GLU_114:CB          C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
GLU_114:CG          C  ?   meG  0  2-  0.0000 1 0 8  1.0000  0.0000 CD CB 
GLU_114:CD          C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OE1/2.0 OE2 CG 
GLU_114:OE1         O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CD/2.0 
GLU_114:OE2         O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CD 
HIS_115:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA GLU_114:C/1.5 
HIS_115:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
HIS_115:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LYS_116:N/1.5 
HIS_115:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
HIS_115:CB          C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
HIS_115:CG          C  c=  imid 0  0   0.0000 0 1 8  1.0000  0.0000 ND1 CD2/2.0 CB 
HIS_115:ND1         N  n=  imid 0  0   0.0000 0 0 8  1.0000  0.0000 CE1/2.0 CG 
HIS_115:CD2         C  ?   imid 0  1-  0.0000 0 0 8  1.0000  0.0000 CG/2.0 NE2 
HIS_115:CE1         C  ?   imid 0  1-  0.0000 1 0 8  1.0000  0.0000 NE2 ND1/2.0 
HIS_115:NE2         N  ?   imid 0  1-  0.0000 0 0 8  1.0000  0.0000 CD2 CE1 
LYS_116:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA HIS_115:C/1.5 
LYS_116:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LYS_116:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASN_117:N/1.5 
LYS_116:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LYS_116:CB          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CG CA 
LYS_116:CG          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CD CB 
LYS_116:CD          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE CG 
LYS_116:CE          C  ?   c4n+ 0  2-  0.0000 1 0 8  1.0000  0.0000 NZ CD 
LYS_116:NZ          N  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE 
ASN_117:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LYS_116:C/1.5 
ASN_117:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASN_117:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LEU_118:N/1.5 
ASN_117:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASN_117:CB          C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASN_117:CG          C  c'  coG  0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 ND2/1.5 CB 
ASN_117:OD1         O  o'  coG  0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASN_117:ND2         N  ?   amD  0  0   0.0000 1 0 8  1.0000  0.0000 CG/1.5 
LEU_118:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASN_117:C/1.5 
LEU_118:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LEU_118:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA ASP_119:N/1.5 
LEU_118:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LEU_118:CB          C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
LEU_118:CG          C  ?   meG  0  1-  0.0000 1 0 8  1.0000  0.0000 CD1 CD2 CB 
LEU_118:CD1         C  ?   meD1 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
LEU_118:CD2         C  ?   meD2 0  3-  0.0000 1 0 8  1.0000  0.0000 CG 
ASP_119:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LEU_118:C/1.5 
ASP_119:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
ASP_119:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA THR_120:N/1.5 
ASP_119:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
ASP_119:CB          C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
ASP_119:CG          C  c-  cooh 0  0   0.0000 1 1 8  1.0000  0.0000 OD1/2.0 OD2 CB 
ASP_119:OD1         O  o-  cooh 0  0   0.0000 0 0 8  1.0000  0.0000 CG/2.0 
ASP_119:OD2         O  o-  cooh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG 
THR_120:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA ASP_119:C/1.5 
THR_120:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
THR_120:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LYS_121:N/1.5 
THR_120:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
THR_120:CB          C  ?   cBoh 0  1-  0.0000 0 0 8  1.0000  0.0000 CG2 OG1 CA 
THR_120:OG1         O  o   cBoh 0  1-  0.0000 1 0 8  1.0000  0.0000 CB 
THR_120:CG2         C  ?   meG  0  3-  0.0000 1 0 8  1.0000  0.0000 CB 
LYS_121:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA THR_120:C/1.5 
LYS_121:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LYS_121:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA LYS_122:N/1.5 
LYS_121:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LYS_121:CB          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CG CA 
LYS_121:CG          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CD CB 
LYS_121:CD          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE CG 
LYS_121:CE          C  ?   c4n+ 0  2-  0.0000 1 0 8  1.0000  0.0000 NZ CD 
LYS_121:NZ          N  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE 
LYS_122:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LYS_121:C/1.5 
LYS_122:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
LYS_122:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA TYR_123:N/1.5 
LYS_122:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
LYS_122:CB          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CG CA 
LYS_122:CG          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CD CB 
LYS_122:CD          C  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE CG 
LYS_122:CE          C  ?   c4n+ 0  2-  0.0000 1 0 8  1.0000  0.0000 NZ CD 
LYS_122:NZ          N  ?   c4n+ 0  2-  0.0000 0 0 8  1.0000  0.0000 CE 
TYR_123:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA LYS_122:C/1.5 
TYR_123:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
TYR_123:C           C  c'  pepC 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 CA CYS_124:N/1.5 
TYR_123:O           O  o'  pepC 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
TYR_123:CB          C  ?   meB  0  2-  0.0000 1 0 8  1.0000  0.0000 CG CA 
TYR_123:CG          C  cp  arG  0  0   0.0000 1 1 8  1.0000  0.0000 CD1/1.5 CD2/1.5 CB 
TYR_123:CD1         C  ?   arD1 0  1-  0.0000 1 0 8  1.0000  0.0000 CE1/1.5 CG/1.5 
TYR_123:CD2         C  ?   arD2 0  1-  0.0000 1 0 8  1.0000  0.0000 CG/1.5 CE2/1.5 
TYR_123:CE1         C  ?   arE1 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ/1.5 CD1/1.5 
TYR_123:CE2         C  ?   arE2 0  1-  0.0000 1 0 8  1.0000  0.0000 CD2/1.5 CZ/1.5 
TYR_123:CZ          C  cp  phol 0  0   0.0000 0 1 8  1.0000  0.0000 OH CE2/1.5 CE1/1.5 
TYR_123:OH          O  o   phol 0  1-  0.0000 1 0 8  1.0000  0.0000 CZ 
CYS_124:N           N  n   pepN 0  0   0.0000 1 0 8  1.0000  0.0000 CA TYR_123:C/1.5 
CYS_124:CA          C  ?   pepN 0  1-  0.0000 0 0 8  1.0000  0.0000 C CB N 
CYS_124:C           C  c-  pep- 0  0   0.0000 1 1 8  1.0000  0.0000 O/2.0 OXT CA 
CYS_124:O           O  o-  pep- 0  0   0.0000 0 0 8  1.0000  0.0000 C/2.0 
CYS_124:OXT         O  o-  pep- 0  1-  0.0000 0 0 8  1.0000  0.0000 C 
CYS_124:CB          C  ?   cs   0  2-  0.0000 1 0 8  1.0000  0.0000 SG CA 
CYS_124:SG          S  s1  cs   0  0   0.0000 0 0 8  1.0000  0.0000 CB CYS_27:SG 
CA_125:C1           C  ?   CA   0  4-  0.0000 0 0 8  1.0000  0.0000 


#atomset                                                                      


@quartet torsion *:*_*:psi 
N      CA     C      *:N   

@quartet torsion *:*_*:omeg
CA     C      *:N    *:CA  

@quartet torsion *:*_*:phi 
*:C    N      CA     C     

@quartet torsion *:*_*:chi1
N      CA     CB     CG    

@quartet torsion *:*_*:chi2
CA     CB     CG     CD1   

@quartet torsion *:LEU_*:ch2'
CA     CB     CG     CD2   

@quartet torsion *:*_*:chi2
CA     CB     CG     CD    

@quartet torsion *:GLN_4:chi3
CB     CG     CD     NE2   

@quartet torsion *:ARG_*:chi3
CB     CG     CD     NE    

@quartet torsion *:ARG_*:chi4
CG     CD     NE     CZ    

@quartet torsion *:ARG_*:chi5
CD     NE     CZ     NH1   

@quartet torsion *:SER_*:chi1
N      CA     CB     OG    

@quartet torsion *:MET_*:chi2
CA     CB     CG     SD    

@quartet torsion *:MET_*:chi3
CB     CG     SD     CE    

@quartet torsion *:*_*:chi1
N      CA     CB     CG1   

@quartet torsion *:ILE_*:chi2
CA     CB     CG1    CD1   

@quartet torsion *:LYS_*:chi3
CB     CG     CD     CE    

@quartet torsion *:LYS_*:chi4
CG     CD     CE     NZ    

@quartet torsion *:CYS_*:chi1
N      CA     CB     SG    

@quartet torsion *:HIS_*:chi2
CA     CB     CG     ND1   

@quartet torsion *:ASP_*:chi2
CA     CB     CG     OD2   

@quartet torsion *:ASN_*:chi2
CA     CB     CG     ND2   

@quartet torsion *:THR_*:chi1
N      CA     CB     OG1   

@quartet torsion *:GLU_*:chi3
CB     CG     CD     OE2   

@quartet torsion *:CYS_124:chi1
N      CA     CB     OXT   

#end



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