* Taken from top_all22_prot.inp
*
   22     1
MASS     1 H      1.00800 ! polar H
MASS     2 HC     1.00800 ! N-ter H
MASS     3 HA     1.00800 ! nonpolar H
MASS     6 HB     1.00800 ! backbone H
MASS    20 C     12.01100 ! polar C
MASS    22 CT1   12.01100 ! aliphatic sp3 C for CH
MASS    24 CT3   12.01100 ! aliphatic sp3 C for CH3 
MASS    32 CC    12.01100 ! carbonyl C for sidechains asn,asp,gln,glu
MASS    54 NH1   14.00700 ! peptide nitrogen
MASS    56 NH3   14.00700 ! ammonium nitrogen
MASS    70 O     15.99900 ! carbonyl oxygen
MASS    72 OC    15.99900 ! carboxylate oxygen
mass     9 QQH    1.00800 ! link atom


DECL -CA  
DECL -C  
DECL -O  
DECL +N  
DECL +HN  
DECL +CA  

DEFA FIRS NTER LAST CTER   
AUTO ANGLES DIHE   

RESI ALA          0.00
GROUP   
ATOM N    NH1    -0.47  !     |
ATOM HN   H       0.31  !  HN-N
ATOM CA   CT1     0.07  !     |     HB1
ATOM HA   HB      0.09  !     |    /
GROUP                   !  HA-CA--CB-HB2
ATOM CB   CT3    -0.27  !     |    \
ATOM HB1  HA      0.09  !     |     HB3
ATOM HB2  HA      0.09  !   O=C
ATOM HB3  HA      0.09  !     |
GROUP                   !
ATOM C    C       0.51
ATOM O    O      -0.51
BOND CB CA  N  HN  N  CA  O  C   
BOND C  CA  C  +N  CA HA  CB HB1  CB HB2  CB HB3   
IMPR N -C CA HN  C CA +N O   
DONOR HN N   
ACCEPTOR O C   
IC -C   CA   *N   HN    1.3551 126.4900  180.0000 115.4200  0.9996
IC -C   N    CA   C     1.3551 126.4900  180.0000 114.4400  1.5390
IC N    CA   C    +N    1.4592 114.4400  180.0000 116.8400  1.3558
IC +N   CA   *C   O     1.3558 116.8400  180.0000 122.5200  1.2297
IC CA   C    +N   +CA   1.5390 116.8400  180.0000 126.7700  1.4613
IC N    C    *CA  CB    1.4592 114.4400  123.2300 111.0900  1.5461
IC N    C    *CA  HA    1.4592 114.4400 -120.4500 106.3900  1.0840
IC C    CA   CB   HB1   1.5390 111.0900  177.2500 109.6000  1.1109
IC HB1  CA   *CB  HB2   1.1109 109.6000  119.1300 111.0500  1.1119
IC HB1  CA   *CB  HB3   1.1109 109.6000 -119.5800 111.6100  1.1114

PRES CTER        -1.00 ! standard C-terminus
GROUP                  ! use in generate statement
ATOM C    CC      0.34 !   OT2
ATOM OT1  OC     -0.67 !  //
ATOM OT2  OC     -0.67 ! -C
DELETE ATOM O          !  \\
BOND C OT1 C OT2       !   OT1
IMPR OT1 CA OT2 C   
ACCEPTOR OT1 C   
ACCEPTOR OT2 C   
IC N    CA   C    OT2   0.0000  0.0000  180.0000  0.0000  0.0000
IC OT2  CA   *C   OT1   0.0000  0.0000  180.0000  0.0000  0.0000

PRES NTER         1.00 ! standard N-terminus
GROUP                  ! use in generate statement
ATOM N    NH3    -0.30 !
ATOM HT1  HC      0.33 !         HT1	
ATOM HT2  HC      0.33 !        /
ATOM HT3  HC      0.33 ! --CA--N--HT2
ATOM CA   CT1     0.21 !   |    \
ATOM HA   HB      0.10 !   HA    HT3
DELETE ATOM HN   
BOND HT1 N HT2 N HT3 N   
DONOR HT1 N   
DONOR HT2 N   
DONOR HT3 N   
IC HT1  N    CA   C     0.0000  0.0000  180.0000  0.0000  0.0000
IC HT2  CA   *N   HT1   0.0000  0.0000  120.0000  0.0000  0.0000
IC HT3  CA   *N   HT2   0.0000  0.0000  120.0000  0.0000  0.0000

end