*
*

BONDS

NN2B CA     270.0       1.370   ! From NY CA
NN3  CA     310.0       1.355   ! From NN4 CN5
CN3  NN3    310.0       1.365   ! From CN5G NN4
CTL1 CN7B   222.5       1.538   ! From CLT1 CLT2
!CN3  NN2B   302.0       1.375   ! From CN5 NN2B
OSL   P2    270.0       1.60    ! From OSL   PL
! Hannah & Marc added missing bonds
OSL   PG2   270.0       1.60    ! From OSL   PL
!CTL2 OSL    320.0       1.44    ! Marc: From CG321  bOG303 
!CTL2 HAL2   309.0       1.111   ! Marc: From CG321 HGA2
CN3 CN3  250.00     1.3550 ! Hannah from cys-fla-rbl.txt CG2R61 CG2R64
CN3 NN2B 380.00     1.3790 ! Hannah from cys-fla-rbl.txt CG2R61 NG2R61  
CN3 NN2B  400.00     1.3920 ! Hanna from '' CG2R64 NG2R61 
CN1 NN3  500.00     1.3100 ! Hannah '' CG2O6  NG2D1
CN1 NN2   510.00     1.3700  ! Hannah '' CG2O6  NG2S1  
CN1 ON1  650.00     1.2300 ! Hannah CG2O6  OG2D1  fla-rbl.txt
NN2 HN2   440.00     0.9970 ! Hannah NG2S1  HGP1 ''
CN1 CN3  300.00     1.4750 ! Hannah CG2O1  CG2R61 ''
CN7B NN2B 400.00     1.4560 ! Hannah CG321  NG2R61 ''
CN7B HN7 309.00     1.1110 ! Hannah CG321  HGA2   ''


ANGLES

CT1  CT1  CD     52.000   108.0000 ! ALLOW   ALI PEP POL ARO
                ! From CT1 CT1 C
CT2  S    CT2    34.000    95.0000 ! From CT3 S CT2
S    CT2  CA     58.000   114.5000 ! From S CT2 CT2
HAL1 CTL1 CN7B   34.500    110.10   22.53   2.179  ! From HAL1 CTL1 CTL2
HN7  CN7B CTL1   26.500    110.10   22.53   2.179  ! From HAL2 CTL2 CTL1
NN2B CN7B CTL1   67.7      110.00   ! From NH3L CTL2 CTL2
CTL1 CTL1 CN7B   58.350    113.50   11.16   2.561  ! From CTL1 CTL1 CTL2
CN7B CTL2 CTL2   58.350    113.60   11.16   2.561  ! From CTL2 CTL2 CTL2
OHL  CTL1 CN7B   75.700    110.10   ! From OHL  CTL1 CTL2
OHL  CTL1 CTL1   75.700    110.10   ! From OHL  CTL2 CTL3
CN3  CN3  NN3     60.0     120.0  ! Form CN5  CN5  NN3A
CA   CA   NN3     60.0     120.0  ! Form CN5  CN5  NN3A
CN1  NN2  CN1     50.0     130.2  ! From CN1T NN2U CN1
NN3  CN1  ON1    100.0     120.0  ! From NN2B CN1T ON1
NN2  CN1  ON1    100.0     120.0  ! From NN2B CN1T ON1
CN3  CN1 NN2      70.0     120.0  ! From CN3T CN1 NN2U
CN1  CN3 NN3      70.0     120.0  ! From CN3T CN1 NN2U
OSL  P2   ON2     80.0     104.3  ! From ON2  P2   ON2
OSL  P2   ON3     88.9     111.6  ! From ON2  P2   ON2
CTL2 OSL  P2     20.0      120.0    35.0    2.33   ! From CTL2 OSL PL
NN2B CN3 NN3 55.0 120.0  ! From NN3A CN4 NN3A and NN2B CN1T NN2U
CN1 NN3 CN3 90.0 120.0 ! From CN1T NN2B CN3 and CN2 NN3G CN5
CA NN3 CN3   85.0  120.0  ! from CN1 NN3 CN2
CA CT2 NH3   67.700   110.0000 ! from NH3  CT2  CT2
CA CT2 NH2   67.700   110.0000 ! from NH2 CT2 CT2
CA  CA  NN2B   125.0     120.0 ! Hannah CG2R61 CG2R61 NG2R61 fla-rbl.txt
CA NN2B CN3    10.00    123.90 ! Hannah CG2R61 NG2R61 CG2R64 fla-rbl.txt 
CTL2 OSL PG2  20.00    120.00   35.00   2.3300 ! Hannah CG321 OG303 PG1  rbl-adp.txt 
CA  NN2B CN7B  70.00    120.50   ! Hannah from fla-rbl.txt from G2R61 NG2R61 CG321    
OSL PG2 OG304   48.10    105.00 ! Hannah from OG303  PG1    OG304 rbl-adp.txt 
!G2P1  PG2    OSL    88.90    111.60 ! Hannah from OG2P1 PG2 OG304
OG2P1  PG2    OSL    98.90    107.50 ! Hannah from OG2P1  PG1    OG303  rbl-adp.txt
NN3 CN1 NN2 70.00    115.00 ! Hannah from NG2D1  CG2O6  NG2S1   fla-rbl.txt
CN1 NN2 HN2     40.00    121.50 ! Hannah CG2O6  NG2S1  HGP1  fla-rbl.txt
CN1 CN3 CN3   45.00    119.00 ! Hannah CG2O1  CG2R61 CG2R64   fla-rbl.txt
CN3 CN3 NN2B   23.00    116.10 ! CG2R61 CG2R64 NG2R61 fla-rbl.txt
CN3 CN1 ON1  30.00    121.00 ! CG2R61 CG2O1  OG2D1    fla-rbl.txt
NN2B CN7B HN7     51.50    109.50 ! Hannah NG2R61 CG321  HGA2  fla-rbl.txt
CN3 NN2B CN7B    70.00    115.40 ! Hannah CG2R64 NG2R61 CG321 fla-rbl.txt
HN7 CN7B HN7 35.50    109.00    5.40   1.80200 ! Hannah HGA2   CG321  HGA2   fla-rbl.txt


DIHEDRALS

CT2  S    CT2  CT1      0.2400  1   180.00 ! From CT3  S    CT2  CT2
CT2  S    CT2  CT1      0.3700  3     0.00 ! From CT3  S    CT2  CT2
CT2  S    CT2  CA       0.2400  1   180.00 ! From CT3  S    CT2  CT2
CT2  S    CT2  CA       0.3700  3     0.00 ! From CT3  S    CT2  CT2
HA   CT2  S    CT2      0.2800  3     0.00 ! From HA   CT2  S    CT3
X    CTL1 CN7B X        0.200   3     0.00 ! From X    CTL1 CTL2 X
P    ON2  P2   OSL      0.03    2     0.0  ! From P ON2 P2 ON2
P    ON2  P2   OSL      0.03    3     0.0  ! From P ON2 P2 ON2             
ON2  P2   OSL  CTL2     1.20    1   180.0  ! From ON2 P ON2 CN8B    
ON2  P2   OSL  CTL2     0.10    2   180.0  ! From ON2 P ON2 CN8B
ON2  P2   OSL  CTL2     0.10    3   180.0  ! From ON2 P ON2 CN8B    
ON2  P2   OSL  CTL2     0.00    6     0.0  ! From ON2 P ON2 CN8B    
ON3  P2   OSL  CTL2     0.10    3     0.0  ! From ON3 P ON2 CN8B
X    CN3  NN3  X        1.0     2   180.0  ! From X CN1 NN3 X 
X    CA   NN3  X        1.0     2   180.0  ! From X CN1 NN3 X
X    CTL2 CN7B X        0.200   3     0.00 ! From X CTL1 CTL2 X  
X    CT2  NH2  X        0.1000  3     0.00 ! From X CT3 NH3 X and X CT2 NH3 X
! Hannah & Marc added missing 
!X    CA   CA   X        1.00    2   180.0  ! From X CN3 CN3  X in par_all36_prot.prm
CA CA CA N5    1.2000  2   180.0 ! Hannah from fla-rbl.txt CG2R61 CG2R61 CG2R61 NG2R60    
!X    NN2B CA   X        1.00    2   180.0  ! From X CN3 NN2B X in par_all36_na.prm        
CTL1  CN7B  NN2B CA     1.8000  1     0.00
CA CA CA NN3  1.2000  2   180.00 ! Hannah from fla-rbl.txt CG2R61 CG2R61 CG2R61 NG2R6
NN3 CA CA NN2B    0.9000  2   180.00 ! Hannah from fla-rbl.txt NG2R60 CG2R61 CG2R61 NG2R61 
NN3 CA CA HP   2.8000  2   180.00 ! Hannah from fla-rbl.txt NG2R60 CG2R61 CG2R61 HGR61
CA CA NN2B CN7B  11.0000  2   180.00 ! Hannah from fla-rbl.txt CG2R61 CG2R61 NG2R61 CG321    
CA CA NN2B CN3   0.5000  2   180.00 ! Hannah from fla-rbl.txt CG2R61 CG2R61 NG2R61 CG2R64 
CA CA CA NN2B  3.7000  2   180.00 ! Hannah frpm fla-rbl.txt CG2R61 CG2R61 CG2R61 NG2R61  
CT3 CA CA CT3   2.4000  2   180.00 ! Hannah from fla-rbl.txt CG331  CG2R61 CG2R61 CG331  
NN2B CA CA HP   0.8000  2   180.00 ! Hannah from fla-rbl.txt  NG2R61 CG2R61 CG2R61 HGR61   
HN7 CN7B NN2B CA   0.0000  3     0.0 ! Hannah from fla-rbl.txt  HGA2   CG321  NG2R61 CG2R61  
CTL1 CN7B NN2B CN3     1.8000  1     0.00 ! Hannah from fla-rbl.txt CG311  CG321  NG2R61 CG2R64 
CTL2 OSL PG2 OG304      1.2000  1   180.00 ! Hannah from rbl-adp.txt CG321  OG303  PG1    OG304
CTL2 OSL PG2 OG304    0.1000  2   180.00 ! Hannah from rbl-adp.txt CG321  OG303  PG1    OG304
CTL2 OSL PG2 OG304   0.1000  3   180.00 ! Hannah from rbl-adp.txt CG321  OG303  PG1    OG304
CTL2 OSL PG2 OG2P1   0.1000  3     0.00 ! Hannah from rbl-adp.txt CG321  OG303  PG1    OG2P1
PG1    OG304  PG2    OSL      0.0300  3     0.00 ! Hannah from rbl-adp.txt PG1    OG304  PG1    OG303    
HA2   CT2  S  CT2      0.2800  3     0.00 ! Hannah from cys-fla-rbl.txt HGA2   CG321  SG311  CG321      
CT3 CA CA CT2     2.4000  2   180.00 ! Hannah from fla-rbl.txt CG331  CG2R61 CG2R61 CG331 
CN1 CN3 CN3 NN3      5.0000  2   180.00 ! Hannah fla-rbl.txt CG2O1  CG2R61 CG2R64 NG2D1
NN3 CN3 CN3 NN3      1.5000  2     0.00 ! Hannah fla-rbl.txt NG2R60 CG2R61 CG2R64 NG2D1              
NN3 CN3 NN2B CN7B   11.0000  2   180.00 ! Hannah fla-rbl.txt NG2D1  CG2R64 NG2R61 CG321 
NN3 CN3 NN2B CA    4.0000  2   180.00 ! Hannah fla-rbl.txt NG2D1  CG2R64 NG2R61 CG2R61
NN3 CN1 NN2 HN2       1.5000  2   180.00 ! Hannah fla-rbl.txt NG2D1  CG2O6  NG2S1  HGP1       
NN3 CN1 NN2 CN1      2.5000  2   180.00 ! Hannah fla-rbl.txt NG2D1  CG2O6  NG2S1  CG2O1 
CN3 CN1 NN2 CN1      1.6000  1     0.00 ! Hannah fla-rbl.txt CG2R61 CG2O1  NG2S1  CG2O6          
ON1 CN1 NN2 CN1   2.5000  2   180.00 ! Hannah fla-rbl.txt OG2D1  CG2O1  NG2S1  CG2O6 
ON1 CN1 NN3 CN3     6.5000  2   180.00 ! Hannah fla-rbl.txt OG2D1  CG2O6  NG2D1  CG2R64     
ON1 CN1 NN2 HN2       0.0000  2   180.00 ! Hannah fla-rbl.txt OG2D1  CG2O6  NG2S1  HGP1  
NN2 CN1 CN3 NN3    1.0000  2   180.00 ! Hannah fla-rbl.txt NG2S1  CG2O1  CG2R61 NG2R60    
NN2 CN1 CN3 CN3     1.0000  2   180.00  ! Hannah fla-rbl.txt NG2S1  CG2O1  CG2R61 CG2R64  
NN2 CN1 NN3 CN3     6.5000  2   180.00 ! Hannah fla-rbl.txt NG2S1  CG2O6  NG2D1  CG2R64     
CN3 CN1 NN2 HN2       2.5000  2   180.00 ! Hannah fla-rbl.txt CG2R61 CG2O1  NG2S1  HGP1 
CN1 CN3 CN3 NN2B     2.5000  2   180.00 ! Hannah fla-rbl.txt CG2O1  CG2R61 CG2R64 NG2R61    
ON1 CN1 CN3 NN3     1.0000  2   180.00 ! Hannah fla-rbl.txt OG2D1  CG2O1  CG2R61 NG2R60 
ON1 CN1 CN3 CN3   1.0000  2   180.00 ! Hannah fla-rbl.txt OG2D1  CG2O1  CG2R61 CG2R64               
NN3 CN3 CN3 NN2B     1.5000  2     0.00 ! Hannah fla-rbl.txt NG2R60 CG2R61 CG2R64 NG2R61  
CN3 CN3 NN2B CN7B  11.0000  2   180.00 ! Hannah fla-rbl.txt CG2R61 CG2R64 NG2R61 CG321 
CN3 CN3 NN2B CA   4.0000  2   180.00 ! Hannah fla-rbl.txt CG2R61 CG2R64 NG2R61 CG2R61     
HN7 CN7B NN2B CN3    0.1900  3     0.00 ! Hannah fla-rbl.txt HGA2   CG321  NG2R61 CG2R64           

IMPROPERS


! For keeping flavine ring non-planar in MAO
CA   NN3  NN2B CN3     10.0         0    168.5

