RESI CYS          0.00
ATOM N    NH1    -0.47  !     |
ATOM H    H       0.31  !   H-N
ATOM CA   CT1     0.07  !     |   HB2
ATOM HA   HB      0.09  !     |   |
ATOM CB   CT2    -0.11  !     |   |     \
ATOM HB3  HA      0.09  !     |   HB3    HG
ATOM HB2  HA      0.09  !   O=C
ATOM SG   S      -0.23  !     |
ATOM HG   HS      0.16
ATOM C    C       0.51
ATOM O    O      -0.51
BOND     CB    CA    SG    CB    N     H     N     CA    
BOND     O     C     C     CA    C     +N    CA    HA    CB    HB3   
BOND     CB    HB2   SG    HG    
IMPR     N     -C    CA    H     C     CA    +N    O     
IMPR     CA    N     C     CB    

PRES CTER        -1.00 ! standard C-terminus
ATOM C    CC      0.34 !   O
ATOM O    OC     -0.67 !  //
ATOM OXT  OC     -0.67 ! -C
BOND C OXT             !   OXT
IMPR O CA OXT C

! Disulfide patch using Modeller-style atom naming (e.g. 1:CA)
PRES DIS1        -0.36  ! patch for disulfides. Patch must be 1-CYS and 2-CYS.
ATOM 1:CB  CT2    -0.10 !
ATOM 1:SG  SM     -0.08 !            2:SG--2:CB--
GROUP                  !            /
ATOM 2:SG  SM     -0.08 ! -1:CB--1:SG
ATOM 2:CB  CT2    -0.10 !
DELETE ATOM 1:HG
DELETE ATOM 2:HG
BOND  1:SG  2:SG
ANGLE 1:CB  1:SG 2:SG 1:SG 2:SG  2:CB
DIHE  1:HB2 1:CB 1:SG 2:SG 1:HB3 1:CB 1:SG 2:SG
DIHE  2:HB2 2:CB 2:SG 1:SG 2:HB3 2:CB 2:SG 1:SG
DIHE  1:CA  1:CB 1:SG 2:SG 1:SG  2:SG 2:CB 2:CA
DIHE  1:CB  1:SG 2:SG 2:CB

! Disulfide patch using CHARMM-style atom naming (e.g. 1CA)
PRES DIS2        -0.36  ! patch for disulfides. Patch must be 1-CYS and 2-CYS.
ATOM 1CB  CT2    -0.10 !
ATOM 1SG  SM     -0.08 !            2SG--2CB--
GROUP                  !            /
ATOM 2SG  SM     -0.08 ! -1CB--1SG
ATOM 2CB  CT2    -0.10 !
DELETE ATOM 1HG
DELETE ATOM 2HG
BOND  1SG  2SG
ANGLE 1CB  1SG 2SG 1SG 2SG  2CB
DIHE  1HB2 1CB 1SG 2SG 1HB3 1CB 1SG 2SG
DIHE  2HB2 2CB 2SG 1SG 2HB3 2CB 2SG 1SG
DIHE  1CA  1CB 1SG 2SG 1SG  2SG 2CB 2CA
DIHE  1CB  1SG 2SG 2CB