%VERSION  VERSION_STAMP = V0001.000  DATE = 06/27/06  14:29:09                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
                                                                                
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
      35       9      14      22      26      31      40      44       0       0
     157       2      22      31      44      24      42      19      17       0
       0       0       0       0       0       0       0       0      19       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
N2  C2  N1  H1  C6  O6  C5  C4  N9  C1' H34 H35 H36 C8  H8  N7  N3  H21 H22 C2  
N1  C1' H31 H32 H33 C6  H6  C5  H5  C4  N3  N4  H41 H42 O2  
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
 -1.68191829E+01  1.35428134E+01 -9.20772819E+00  6.41424960E+00  8.96172714E+00
 -1.03848888E+01  3.62805993E+00  3.30552522E+00  1.05142671E+00  6.52358340E-01
  3.21805818E-01  3.21805818E-01  3.21805818E-01  1.34116128E+00  3.63899331E+00
 -1.04322668E+01 -1.20923183E+01  7.71714405E+00  7.71714405E+00  1.45031286E+01
 -6.17735970E-01 -2.11378680E-01  4.53735270E-01  4.53735270E-01  4.53735270E-01
 -3.33468090E-01  4.17837339E+00 -9.51568506E+00  3.39481449E+00  1.53777990E+01
 -1.41186380E+01 -1.78086538E+01  7.86110022E+00  7.86110022E+00 -1.19319620E+01
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.40100000E+01  1.20100000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
  1.60000000E+01  1.20100000E+01  1.20100000E+01  1.40100000E+01  1.20100000E+01
  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00
  1.40100000E+01  1.40100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
  1.40100000E+01  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00
  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
  1.40100000E+01  1.40100000E+01  1.00800000E+00  1.00800000E+00  1.60000000E+01
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       1       3       2       4       2       2       1       5
       6       6       6       2       7       1       1       3       3       2
       1       5       6       6       6       2       8       2       9       2
       1       1       3       3       4
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       8      10       9       4       7       3       7       9       8       7
       3       2       1       3       1       1       2       1       1      12
      11       8       3       2       1       7       3       6       3       5
       4       2       1       1       1
%FLAG NONBONDED_PARM_INDEX                                                      
%FORMAT(10I8)                                                                   
       1       2       4       7      11      16      22      29      37       2
       3       5       8      12      17      23      30      38       4       5
       6       9      13      18      24      31      39       7       8       9
      10      14      19      25      32      40      11      12      13      14
      15      20      26      33      41      16      17      18      19      20
      21      27      34      42      22      23      24      25      26      27
      28      35      43      29      30      31      32      33      34      35
      36      44      37      38      39      40      41      42      43      44
      45
%FLAG RESIDUE_LABEL                                                             
%FORMAT(20a4)                                                                   
DG  DC  
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1      20
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  3.67000000E+02  5.29000000E+02  3.40000000E+02  3.37000000E+02  4.40000000E+02
  4.36000000E+02  4.61000000E+02  5.20000000E+02  4.14000000E+02  5.70000000E+02
  4.47000000E+02  4.34000000E+02  4.18000000E+02  4.27000000E+02  4.83000000E+02
  4.81000000E+02  4.34000000E+02  3.67000000E+02  4.27000000E+02  3.67000000E+02
  5.49000000E+02  4.48000000E+02  4.24000000E+02  4.57000000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.08000000E+00  1.30400000E+00  1.09000000E+00  1.47500000E+00  1.37100000E+00
  1.37400000E+00  1.35400000E+00  1.37000000E+00  1.39100000E+00  1.22900000E+00
  1.41900000E+00  1.01000000E+00  1.38800000E+00  1.38100000E+00  1.33900000E+00
  1.34000000E+00  1.01000000E+00  1.08000000E+00  1.43300000E+00  1.08000000E+00
  1.35000000E+00  1.36500000E+00  1.38300000E+00  1.35800000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  3.50000000E+01  5.00000000E+01  3.50000000E+01  7.00000000E+01  7.00000000E+01
  5.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01  7.00000000E+01
  7.00000000E+01  7.00000000E+01  7.00000000E+01  7.00000000E+01  8.00000000E+01
  6.30000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01  8.00000000E+01
  7.00000000E+01  5.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
  7.00000000E+01  7.00000000E+01  8.00000000E+01  5.00000000E+01  7.00000000E+01
  7.00000000E+01  5.00000000E+01  5.00000000E+01  6.30000000E+01  7.00000000E+01
  8.00000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
  7.00000000E+01  7.00000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  2.09439600E+00  2.14762857E+00  1.91113635E+00  2.24798504E+00  2.20260646E+00
  1.91113635E+00  2.14762857E+00  1.98793087E+00  1.92684432E+00  2.19562514E+00
  1.83957782E+00  1.85354046E+00  2.22878641E+00  1.81165254E+00  2.24798504E+00
  2.08043336E+00  2.26892900E+00  2.03854544E+00  2.15199189E+00  2.10486798E+00
  1.94255229E+00  2.09439600E+00  2.05948940E+00  2.18515316E+00  1.95826026E+00
  2.02458280E+00  2.08217869E+00  2.13802925E+00  2.15199189E+00  2.12057595E+00
  2.09614133E+00  2.08916001E+00  2.08916001E+00  2.04203610E+00  2.11533996E+00
  2.11010397E+00  2.06996138E+00  2.07868803E+00  2.11533996E+00  2.05250808E+00
  2.12232128E+00  2.10312265E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  2.40000000E+00  5.45000000E+00  1.65000000E+00  0.00000000E+00  1.70000000E+00
  2.55000000E+00  1.00000000E+01  3.00000000E+00  1.50000000E+00  1.35000000E+00
  4.80000000E+00  4.15000000E+00  4.00000000E+00  6.65000000E+00  1.45000000E+00
  1.85000000E+00  1.10000000E+00  1.00000000E+00  1.05000000E+01
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  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  8.82619071E+05  8.19971662E+05  2.12601181E+03  2.27577561E+03
  1.39982777E-01  6.06829342E+05  5.74393458E+05  1.02595236E+03  3.79876399E+05
  9.95480466E+05  9.24822270E+05  2.56678134E+03  6.47841731E+05  1.04308023E+06
  6.20665997E+04  6.01816484E+04  5.94667300E+01  3.69471530E+04  6.78771368E+04
  3.25969625E+03  5.46147253E+04  5.30987710E+04  4.90239937E+01  3.23283631E+04
  5.98885646E+04  2.82099197E+03  2.43828624E+03  6.58473870E+04  6.37148278E+04
  6.63368273E+01  3.93690817E+04  7.18621074E+04  3.50301067E+03  3.03448006E+03
  3.76169105E+03  7.91627154E+04  7.62451550E+04  8.90987508E+01  4.77908183E+04
  8.59947003E+04  4.33325458E+03  3.76169105E+03  4.64559155E+03  5.71629601E+03
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  8.01323529E+02  6.53361429E+02  5.31102864E+02  2.09604198E+01  1.82891803E+01
  9.37598976E-02  6.77220874E+02  5.55666448E+02  1.53505284E+01  5.64885984E+02
  7.36907417E+02  5.99015525E+02  2.06278363E+01  6.26720080E+02  6.75612247E+02
  1.13252061E+02  9.40505980E+01  1.93248820E+00  9.21192136E+01  1.06076943E+02
  1.43076527E+01  1.05031585E+02  8.73413012E+01  1.73473071E+00  8.51921330E+01
  9.85097219E+01  1.31591746E+01  1.20953369E+01  1.15327881E+02  9.56748258E+01
  2.01792524E+00  9.40124296E+01  1.07908863E+02  1.46638650E+01  1.34932874E+01
  1.50233639E+01  1.26451907E+02  1.04660679E+02  2.33864085E+00  1.03580945E+02
  1.18043746E+02  1.63092814E+01  1.50233639E+01  1.66953734E+01  1.85196588E+01
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
      39      42       1      27      30       3      27      33       3      27
      36       3       6       9      12       0      51      17       0      54
      17      93      96      17      93      99      17      81      84      18
      75      78      20      63      66       3      63      69       3      63
      72       3
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      39      45       2      24      27       4      24      39       5      21
      24       6      21      48       7      18      21       8      18      45
       9      12      15      10      12      18      11       6      12      13
       3       6      14       3      48      15       0       3      16      87
      90      15      87      93      16      81      87      19      75      81
      21      60      63       4      60      75      22      57      60      23
      57     102      10      57      90      24
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
      51       0      54       1      42      39      45       2      33      27
      36       3      30      27      33       3      30      27      36       3
      24      27      30       6      24      27      33       6      24      27
      36       6      24      39      42       7       9       6      12      18
       3       0      51      22       3       0      54      22       3       6
       9      23      96      93      99       1      87      93      96      22
      87      93      99      22      84      81      87      29      78      75
      81      32      75      81      84      33      69      63      72       3
      66      63      69       3      66      63      72       3      60      63
      66       6      60      63      69       6      60      63      72       6
      60      75      78      38
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
      27      24      39       4      24      21      48       5      24      39
      45       8      21      18      45       9      21      24      27      10
      21      24      39      11      18      21      24      12      18      21
      48      13      18      45      39      14      15      12      18      15
      12      18      21      16      12      18      45      17       6       3
      48      19       6      12      15      20       6      12      18      21
       3       6      12      24       3      48      21      25       0       3
       6      26       0       3      48      27      90      87      93      27
      90      57     102      28      81      87      90      30      81      87
      93      31      75      81      87      34      63      60      75      35
      60      57     102      36      60      57      90      37      60      75
      81      39      57      60      63      40      57      60      75      41
      57      90      87      42
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      51       0       3      48       1      54       0       3      48       1
      36      27      24      39       4      33      27      24      39       4
      30      27      24      39       4      27      24      39      42       5
      21      24      27      30       4      21      24      27      33       4
      21      24      27      36       4      21      24      39      42       5
      18      45      39      42       7       9       6       3      48       9
       9       6      12      15      10       9       6      12      18      10
      51       0       3       6       1      54       0       3       6       1
       0       3       6       9       9      90      87      93      96       1
      90      87      93      99       1      84      81      87      90       6
      84      81      87      93       6      81      87      93      96       1
      81      87      93      99       1      78      75      81      84      14
      78      75      81      87      14      72      63      60      75       4
      69      63      60      75       4      66      63      60      75       4
      63      60      75      78      16      60      75      81      84      14
      57      60      63      66       4      57      60      63      69       4
      57      60      63      72       4      57      60      75      78      16
      24      45     -39     -42      17       3      12      -6      -9      18
      54       0     -51      -3      18      87      96     -93     -99      18
      75      87     -81     -84      17      60      81     -75     -78      17
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   
      45      18      21      48       2      39      24      21      48       3
      27      24      21      48       3      27      24      39      45       5
      24      21     -18      45       2      21      18     -45      39       6
      21      24     -39      45       5      18      21      24      27       3
      18      21     -24      39       3      18      45     -39      24       7
      15      12      18      21       8      15      12      18      45       8
      12       6       3      48       9      12      18      21      24       2
      12      18     -21      48       2      12      18      45      39       6
       6       3      48      21      11       6      12     -18      21       8
       6      12      18      45       8       3       6      12      15      10
       3       6      12      18      10       3      48     -21      18      12
       3      48      21      24      12       0       3       6      12       9
       0       3      48      21      11      87      90      57     102      13
      75      60      57     102      15      75      60      57      90      15
      75      81     -87      90       6      75      81      87      93       6
      63      60      57     102      15      63      60      57      90      15
      63      60      75      81      16      60      57      90      87      13
      60      75     -81      87      14      57      60      75      81      16
      57      90     -87      81      11      57      90      87      93      11
      39      21     -24     -27      18       6      18     -12     -15      19
       0       3     -48      -6      17      90      81     -87     -93      17
      75      57     -60     -63      18      60      90     -57    -102      19
%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       8      17      18      19       3       4
       5       6       7       8       9      17      18      19       4       5
       6       7       8      16      17      18      19       5       6       7
      17       6       7       8       9      14      16      17       7       8
      16       8       9      10      14      15      16      17       9      10
      11      12      13      14      15      16      17      10      11      12
      13      14      15      16      17      11      12      13      14      15
      16      17      12      13      14      13      14      14      15      16
      17      16      17      18      19      19       0      21      22      23
      24      25      26      27      28      30      31      32      35      22
      23      24      25      26      27      28      29      30      31      35
      23      24      25      26      27      28      31      35      24      25
      26      25      26      26      27      28      29      30      31      32
      35      28      29      30      29      30      31      32      33      34
      30      31      32      31      32      33      34      35      32      33
      34      35      33      34      34       0       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
N2  CA  NA  H   C   O   CB  CB  N*  CT  H1  H1  H1  CK  H5  NB  NC  H   H   C   
N*  CT  H1  H1  H1  CM  H4  CM  HA  CA  NC  N2  H   H   O   
%FLAG TREE_CHAIN_CLASSIFICATION                                                 
%FORMAT(20a4)                                                                   
M   B   B   E   B   E   B   S   B   3   E   E   E   S   E   E   E   E   E   M   
B   3   E   E   E   B   E   B   E   B   E   B   E   E   E   
%FLAG JOIN_ARRAY                                                                
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0
%FLAG IROTAT                                                                    
%FORMAT(10I8)                                                                   
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0       0       0       0       0       0
       0       0       0       0       0
%FLAG RADII                                                                     
%FORMAT(5E16.8)                                                                 
  1.55000000E+00  1.70000000E+00  1.55000000E+00  1.00000000E+00  1.70000000E+00
  1.50000000E+00  1.70000000E+00  1.70000000E+00  1.55000000E+00  1.70000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.70000000E+00  1.00000000E+00
  1.55000000E+00  1.55000000E+00  1.00000000E+00  1.00000000E+00  1.70000000E+00
  1.55000000E+00  1.70000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00
  1.70000000E+00  1.00000000E+00  1.70000000E+00  1.00000000E+00  1.70000000E+00
  1.55000000E+00  1.55000000E+00  1.00000000E+00  1.00000000E+00  1.50000000E+00
%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
  7.90000000E-01  7.20000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
  8.50000000E-01  7.20000000E-01  7.20000000E-01  7.90000000E-01  7.20000000E-01
  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
  7.90000000E-01  7.90000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
  7.90000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
  7.90000000E-01  7.90000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
