RESIDUE   CCS     20
CONECT      N      3 CA   H    H2  
CONECT      CA     4 N    CB   C    HA  
CONECT      CB     4 CA   SG   HB2  HB3 
CONECT      SG     2 CB   CD  
CONECT      CD     4 SG   CE   HD2  HD3 
CONECT      CE     3 CD   OZ1  OZ2 
CONECT      OZ1    1 CE  
CONECT      OZ2    2 CE   HZ2 
CONECT      C      3 CA   O    OXT 
CONECT      O      1 C   
CONECT      OXT    2 C    HXT 
CONECT      H      1 N   
CONECT      H2     1 N   
CONECT      HA     1 CA  
CONECT      HB2    1 CB  
CONECT      HB3    1 CB  
CONECT      HD2    1 CD  
CONECT      HD3    1 CD  
CONECT      HZ2    1 OZ2 
CONECT      HXT    1 OXT 
END   
HET    CCS             20
HETNAM     CCS CARBOXYMETHYLATED CYSTEINE
FORMUL      CCS    C5 H9 N1 O4 S1