%VERSION  VERSION_STAMP = V0001.000  DATE = 03/28/06  10:51:02                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
ALA                                                                             
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
      10       7       5       4      10       4      14       2       0       0
      39       1       4       4       2       7      10       4       7       0
       0       0       0       0       0       0       0       0      10       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
N   H   CA  HA  CB  HB1 HB2 HB3 C   O   
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
 -7.37589504E+00  5.36238555E+00 -5.05359046E-01  2.20129028E+00 -4.19023611E+00
  1.41091624E+00  1.41091624E+00  1.41091624E+00  1.03907928E+01 -1.01157272E+01
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       3       4       3       5       5       5       6       7
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       9       4       7       6       5       3       2       1       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       4       7      11      16      22       2       3       5
       8      12      17      23       4       5       6       9      13      18
      24       7       8       9      10      14      19      25      11      12
      13      14      15      20      26      16      17      18      19      20
      21      27      22      23      24      25      26      27      28
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
ALA 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  5.70000000E+02  3.40000000E+02  3.40000000E+02  3.10000000E+02  3.17000000E+02
  4.34000000E+02  3.37000000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.22900000E+00  1.09000000E+00  1.09000000E+00  1.52600000E+00  1.52200000E+00
  1.01000000E+00  1.44900000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  3.50000000E+01  6.30000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
  8.00000000E+01  5.00000000E+01  5.00000000E+01  8.00000000E+01  6.30000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  1.91113635E+00  1.93906163E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  2.10137732E+00  2.06018753E+00  1.91113635E+00  1.91462701E+00  1.92160833E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  1.55555556E-01  0.00000000E+00  8.00000000E-01  8.00000000E-02
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  3.00000000E+00  2.00000000E+00  1.00000000E+00  3.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00
%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  9.44293233E+05  2.12601181E+03  1.39982777E-01  9.95480466E+05  2.56678134E+03
  1.04308023E+06  6.20665997E+04  5.94667300E+01  6.78771368E+04  3.25969625E+03
  8.96776989E+04  1.07193646E+02  9.71708117E+04  4.98586848E+03  7.51607703E+03
  8.82619071E+05  2.27577561E+03  9.24822270E+05  6.01816484E+04  8.61541883E+04
  8.19971662E+05  6.06829342E+05  1.02595236E+03  6.47841731E+05  3.69471530E+04
  5.44261042E+04  5.74393458E+05  3.79876399E+05
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  8.01323529E+02  2.09604198E+01  9.37598976E-02  7.36907417E+02  2.06278363E+01
  6.75612247E+02  1.13252061E+02  1.93248820E+00  1.06076943E+02  1.43076527E+01
  1.36131731E+02  2.59456373E+00  1.26919150E+02  1.76949863E+01  2.17257828E+01
  6.53361429E+02  1.82891803E+01  5.99015525E+02  9.40505980E+01  1.12529845E+02
  5.31102864E+02  6.77220874E+02  1.53505284E+01  6.26720080E+02  9.21192136E+01
  1.11805549E+02  5.55666448E+02  5.64885984E+02
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
      12      15       2      12      18       2      12      21       2       6
       9       3       0       3       6
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      24      27       1       6      12       4       6      24       5       0
       6       7
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
      18      12      21       1      15      12      18       1      15      12
      21       1       9       6      12       3       9       6      24       4
       6      12      15       5       6      12      18       5       6      12
      21       5       3       0       6       7       0       6       9       8
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
      12       6      24       2       6      24      27       6       0       6
      12       9       0       6      24      10
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      21      12       6      24       1      18      12       6      24       1
      15      12       6      24       1       9       6      12      15       1
       9       6      12      18       1       9       6      12      21       1
       9       6      24      27       3       9       6     -24      27       4
       3       0       6       9       2       3       0       6      12       2
       3       0       6      24       2       0       6      12      15       1
       0       6      12      18       1       0       6      12      21       1
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   
      12       6      24      27       2       0       6      24      27       2
%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       6       7       8       9      10       3
       4       5       9       4       5       6       7       8       9      10
       5       6       7       8       9      10       6       7       8       9
      10       7       8       9       8       9       9      10       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
N   H   CT  H1  CT  HC  HC  HC  C   O   
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
M   E   M   E   3   E   E   E   M   E   
%FLAG JOIN_ARRAY                                                                
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0       0       0       0       0
%FLAG IROTAT                                                                    
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0       0       0       0       0
%FLAG RADIUS_SET                                                                
%FORMAT(1a80)                                                                   
modified Bondi radii (mbondi)                                                   
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.55000000E+00  1.30000000E+00  1.70000000E+00  1.30000000E+00  1.70000000E+00
  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.70000000E+00  1.50000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
