%VERSION  VERSION_STAMP = V0001.000  DATE = 05/06/09  11:53:42                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
ALA                                                                             
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
     120       7      60      59     131      81     234     233       0       0
     622      12      59      81     233       8      14      19       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   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   
N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   
N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   
N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   
N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   
N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
 -7.57501011E+00  4.95464337E+00  6.14091510E-01  1.49969529E+00 -3.32556975E+00
  1.09880469E+00  1.09880469E+00  1.09880469E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00  6.14091510E-01  1.49969529E+00 -3.32556975E+00
  1.09880469E+00  1.09880469E+00  1.09880469E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00  6.14091510E-01  1.49969529E+00 -3.32556975E+00
  1.09880469E+00  1.09880469E+00  1.09880469E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00  6.14091510E-01  1.49969529E+00 -3.32556975E+00
  1.09880469E+00  1.09880469E+00  1.09880469E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00  6.14091510E-01  1.49969529E+00 -3.32556975E+00
  1.09880469E+00  1.09880469E+00  1.09880469E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00  6.14091510E-01  1.49969529E+00 -3.32556975E+00
  1.09880469E+00  1.09880469E+00  1.09880469E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00  6.14091510E-01  1.49969529E+00 -3.32556975E+00
  1.09880469E+00  1.09880469E+00  1.09880469E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00  6.14091510E-01  1.49969529E+00 -3.32556975E+00
  1.09880469E+00  1.09880469E+00  1.09880469E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00  6.14091510E-01  1.49969529E+00 -3.32556975E+00
  1.09880469E+00  1.09880469E+00  1.09880469E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00  6.14091510E-01  1.49969529E+00 -3.32556975E+00
  1.09880469E+00  1.09880469E+00  1.09880469E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00  6.14091510E-01  1.49969529E+00 -3.32556975E+00
  1.09880469E+00  1.09880469E+00  1.09880469E+00  1.08841798E+01 -1.03484442E+01
 -7.57501011E+00  4.95464337E+00  6.14091510E-01  1.49969529E+00 -3.32556975E+00
  1.09880469E+00  1.09880469E+00  1.09880469E+00  1.08841798E+01 -1.03484442E+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
  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
  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
  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
  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
  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
  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
  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
  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
  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
  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
  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
       1       2       3       4       3       5       5       5       6       7
       1       2       3       4       3       5       5       5       6       7
       1       2       3       4       3       5       5       5       6       7
       1       2       3       4       3       5       5       5       6       7
       1       2       3       4       3       5       5       5       6       7
       1       2       3       4       3       5       5       5       6       7
       1       2       3       4       3       5       5       5       6       7
       1       2       3       4       3       5       5       5       6       7
       1       2       3       4       3       5       5       5       6       7
       1       2       3       4       3       5       5       5       6       7
       1       2       3       4       3       5       5       5       6       7
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
      10       4      10       7       6       3       2       1       7       3
      10       4      10       7       6       3       2       1       7       3
      10       4      10       7       6       3       2       1       7       3
      10       4      10       7       6       3       2       1       7       3
      10       4      10       7       6       3       2       1       7       3
      10       4      10       7       6       3       2       1       7       3
      10       4      10       7       6       3       2       1       7       3
      10       4      10       7       6       3       2       1       7       3
      10       4      10       7       6       3       2       1       7       3
      10       4      10       7       6       3       2       1       7       3
      10       4      10       7       6       3       2       1       7       3
       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 ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1      11      21      31      41      51      61      71      81      91
     101     111
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  5.70000000E+02  4.90000000E+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  1.33500000E+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)                                                                 
  8.00000000E+01  5.00000000E+01  5.00000000E+01  3.50000000E+01  6.30000000E+01
  5.00000000E+01  5.00000000E+01  5.00000000E+01  8.00000000E+01  7.00000000E+01
  5.00000000E+01  5.00000000E+01  8.00000000E+01  6.30000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  2.14501057E+00  2.09439600E+00  2.12755727E+00  1.91113635E+00  1.93906163E+00
  1.91113635E+00  1.91113635E+00  1.91113635E+00  2.10137732E+00  2.03505478E+00
  2.06018753E+00  1.91113635E+00  1.91462701E+00  1.92160833E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.50000000E+00  0.00000000E+00  2.00000000E+00  4.00000000E-01
  0.00000000E+00  0.00000000E+00  2.70000000E-01  4.20000000E-01  1.55555556E-01
  2.00000000E-01  2.00000000E-01  8.00000000E-01  8.00000000E-02  4.50000000E-01
  1.58000000E+00  5.50000000E-01  1.05000000E+01  1.10000000E+00
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  1.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  3.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00
  1.00000000E+00  2.00000000E+00  1.00000000E+00  3.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+00  2.00000000E+00  2.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  3.14159400E+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  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
%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       3      12      18       3      12      21       3       6
       9       4       0       3       7      42      45       3      42      48
       3      42      51       3      36      39       4      30      33       7
      72      75       3      72      78       3      72      81       3      66
      69       4      60      63       7     102     105       3     102     108
       3     102     111       3      96      99       4      90      93       7
     132     135       3     132     138       3     132     141       3     126
     129       4     120     123       7     162     165       3     162     168
       3     162     171       3     156     159       4     150     153       7
     192     195       3     192     198       3     192     201       3     186
     189       4     180     183       7     222     225       3     222     228
       3     222     231       3     216     219       4     210     213       7
     252     255       3     252     258       3     252     261       3     246
     249       4     240     243       7     282     285       3     282     288
       3     282     291       3     276     279       4     270     273       7
     312     315       3     312     318       3     312     321       3     306
     309       4     300     303       7     342     345       3     342     348
       3     342     351       3     336     339       4     330     333       7
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      24      27       1      24      30       2       6      12       5       6
      24       6       0       6       8      54      57       1      54      60
       2      36      42       5      36      54       6      30      36       8
      84      87       1      84      90       2      66      72       5      66
      84       6      60      66       8     114     117       1     114     120
       2      96     102       5      96     114       6      90      96       8
     144     147       1     144     150       2     126     132       5     126
     144       6     120     126       8     174     177       1     174     180
       2     156     162       5     156     174       6     150     156       8
     204     207       1     204     210       2     186     192       5     186
     204       6     180     186       8     234     237       1     234     240
       2     216     222       5     216     234       6     210     216       8
     264     267       1     264     270       2     246     252       5     246
     264       6     240     246       8     294     297       1     294     300
       2     276     282       5     276     294       6     270     276       8
     324     327       1     324     330       2     306     312       5     306
     324       6     300     306       8     354     357       1     336     342
       5     336     354       6     330     336       8
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
      24      30      33       2      18      12      21       4      15      12
      18       4      15      12      21       4       9       6      12       6
       9       6      24       7       6      12      15       8       6      12
      18       8       6      12      21       8       3       0       6      11
       0       6       9      12      54      60      63       2      48      42
      51       4      45      42      48       4      45      42      51       4
      39      36      42       6      39      36      54       7      36      42
      45       8      36      42      48       8      36      42      51       8
      33      30      36      11      30      36      39      12      84      90
      93       2      78      72      81       4      75      72      78       4
      75      72      81       4      69      66      72       6      69      66
      84       7      66      72      75       8      66      72      78       8
      66      72      81       8      63      60      66      11      60      66
      69      12     114     120     123       2     108     102     111       4
     105     102     108       4     105     102     111       4      99      96
     102       6      99      96     114       7      96     102     105       8
      96     102     108       8      96     102     111       8      93      90
      96      11      90      96      99      12     144     150     153       2
     138     132     141       4     135     132     138       4     135     132
     141       4     129     126     132       6     129     126     144       7
     126     132     135       8     126     132     138       8     126     132
     141       8     123     120     126      11     120     126     129      12
     174     180     183       2     168     162     171       4     165     162
     168       4     165     162     171       4     159     156     162       6
     159     156     174       7     156     162     165       8     156     162
     168       8     156     162     171       8     153     150     156      11
     150     156     159      12     204     210     213       2     198     192
     201       4     195     192     198       4     195     192     201       4
     189     186     192       6     189     186     204       7     186     192
     195       8     186     192     198       8     186     192     201       8
     183     180     186      11     180     186     189      12     234     240
     243       2     228     222     231       4     225     222     228       4
     225     222     231       4     219     216     222       6     219     216
     234       7     216     222     225       8     216     222     228       8
     216     222     231       8     213     210     216      11     210     216
     219      12     264     270     273       2     258     252     261       4
     255     252     258       4     255     252     261       4     249     246
     252       6     249     246     264       7     246     252     255       8
     246     252     258       8     246     252     261       8     243     240
     246      11     240     246     249      12     294     300     303       2
     288     282     291       4     285     282     288       4     285     282
     291       4     279     276     282       6     279     276     294       7
     276     282     285       8     276     282     288       8     276     282
     291       8     273     270     276      11     270     276     279      12
     324     330     333       2     318     312     321       4     315     312
     318       4     315     312     321       4     309     306     312       6
     309     306     324       7     306     312     315       8     306     312
     318       8     306     312     321       8     303     300     306      11
     300     306     309      12     348     342     351       4     345     342
     348       4     345     342     351       4     339     336     342       6
     339     336     354       7     336     342     345       8     336     342
     348       8     336     342     351       8     333     330     336      11
     330     336     339      12
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
      27      24      30       1      24      30      36       3      12       6
      24       5       6      24      27       9       6      24      30      10
       0       6      12      13       0       6      24      14      57      54
      60       1      54      60      66       3      42      36      54       5
      36      54      57       9      36      54      60      10      30      36
      42      13      30      36      54      14      87      84      90       1
      84      90      96       3      72      66      84       5      66      84
      87       9      66      84      90      10      60      66      72      13
      60      66      84      14     117     114     120       1     114     120
     126       3     102      96     114       5      96     114     117       9
      96     114     120      10      90      96     102      13      90      96
     114      14     147     144     150       1     144     150     156       3
     132     126     144       5     126     144     147       9     126     144
     150      10     120     126     132      13     120     126     144      14
     177     174     180       1     174     180     186       3     162     156
     174       5     156     174     177       9     156     174     180      10
     150     156     162      13     150     156     174      14     207     204
     210       1     204     210     216       3     192     186     204       5
     186     204     207       9     186     204     210      10     180     186
     192      13     180     186     204      14     237     234     240       1
     234     240     246       3     222     216     234       5     216     234
     237       9     216     234     240      10     210     216     222      13
     210     216     234      14     267     264     270       1     264     270
     276       3     252     246     264       5     246     264     267       9
     246     264     270      10     240     246     252      13     240     246
     264      14     297     294     300       1     294     300     306       3
     282     276     294       5     276     294     297       9     276     294
     300      10     270     276     282      13     270     276     294      14
     327     324     330       1     324     330     336       3     312     306
     324       5     306     324     327       9     306     324     330      10
     300     306     312      13     300     306     324      14     342     336
     354       5     336     354     357       9     330     336     342      13
     330     336     354      14
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      27      24      30      33       1      27      24     -30      33       2
      24      30      36      39       3      21      12       6      24      10
      18      12       6      24      10      15      12       6      24      10
       9       6      12      15      10       9       6      12      18      10
       9       6      12      21      10       9       6      24      27      13
       9       6     -24      27      14       9       6      24      30       3
       6      24      30      33       2       3       0       6       9       3
       3       0       6      12       3       3       0       6      24       3
       0       6      12      15      10       0       6      12      18      10
       0       6      12      21      10      57      54      60      63       1
      57      54     -60      63       2      54      60      66      69       3
      51      42      36      54      10      48      42      36      54      10
      45      42      36      54      10      39      36      42      45      10
      39      36      42      48      10      39      36      42      51      10
      39      36      54      57      13      39      36     -54      57      14
      39      36      54      60       3      36      54      60      63       2
      33      30      36      39       3      33      30      36      42       3
      33      30      36      54       3      30      36      42      45      10
      30      36      42      48      10      30      36      42      51      10
      87      84      90      93       1      87      84     -90      93       2
      84      90      96      99       3      81      72      66      84      10
      78      72      66      84      10      75      72      66      84      10
      69      66      72      75      10      69      66      72      78      10
      69      66      72      81      10      69      66      84      87      13
      69      66     -84      87      14      69      66      84      90       3
      66      84      90      93       2      63      60      66      69       3
      63      60      66      72       3      63      60      66      84       3
      60      66      72      75      10      60      66      72      78      10
      60      66      72      81      10     117     114     120     123       1
     117     114    -120     123       2     114     120     126     129       3
     111     102      96     114      10     108     102      96     114      10
     105     102      96     114      10      99      96     102     105      10
      99      96     102     108      10      99      96     102     111      10
      99      96     114     117      13      99      96    -114     117      14
      99      96     114     120       3      96     114     120     123       2
      93      90      96      99       3      93      90      96     102       3
      93      90      96     114       3      90      96     102     105      10
      90      96     102     108      10      90      96     102     111      10
     147     144     150     153       1     147     144    -150     153       2
     144     150     156     159       3     141     132     126     144      10
     138     132     126     144      10     135     132     126     144      10
     129     126     132     135      10     129     126     132     138      10
     129     126     132     141      10     129     126     144     147      13
     129     126    -144     147      14     129     126     144     150       3
     126     144     150     153       2     123     120     126     129       3
     123     120     126     132       3     123     120     126     144       3
     120     126     132     135      10     120     126     132     138      10
     120     126     132     141      10     177     174     180     183       1
     177     174    -180     183       2     174     180     186     189       3
     171     162     156     174      10     168     162     156     174      10
     165     162     156     174      10     159     156     162     165      10
     159     156     162     168      10     159     156     162     171      10
     159     156     174     177      13     159     156    -174     177      14
     159     156     174     180       3     156     174     180     183       2
     153     150     156     159       3     153     150     156     162       3
     153     150     156     174       3     150     156     162     165      10
     150     156     162     168      10     150     156     162     171      10
     207     204     210     213       1     207     204    -210     213       2
     204     210     216     219       3     201     192     186     204      10
     198     192     186     204      10     195     192     186     204      10
     189     186     192     195      10     189     186     192     198      10
     189     186     192     201      10     189     186     204     207      13
     189     186    -204     207      14     189     186     204     210       3
     186     204     210     213       2     183     180     186     189       3
     183     180     186     192       3     183     180     186     204       3
     180     186     192     195      10     180     186     192     198      10
     180     186     192     201      10     237     234     240     243       1
     237     234    -240     243       2     234     240     246     249       3
     231     222     216     234      10     228     222     216     234      10
     225     222     216     234      10     219     216     222     225      10
     219     216     222     228      10     219     216     222     231      10
     219     216     234     237      13     219     216    -234     237      14
     219     216     234     240       3     216     234     240     243       2
     213     210     216     219       3     213     210     216     222       3
     213     210     216     234       3     210     216     222     225      10
     210     216     222     228      10     210     216     222     231      10
     267     264     270     273       1     267     264    -270     273       2
     264     270     276     279       3     261     252     246     264      10
     258     252     246     264      10     255     252     246     264      10
     249     246     252     255      10     249     246     252     258      10
     249     246     252     261      10     249     246     264     267      13
     249     246    -264     267      14     249     246     264     270       3
     246     264     270     273       2     243     240     246     249       3
     243     240     246     252       3     243     240     246     264       3
     240     246     252     255      10     240     246     252     258      10
     240     246     252     261      10     297     294     300     303       1
     297     294    -300     303       2     294     300     306     309       3
     291     282     276     294      10     288     282     276     294      10
     285     282     276     294      10     279     276     282     285      10
     279     276     282     288      10     279     276     282     291      10
     279     276     294     297      13     279     276    -294     297      14
     279     276     294     300       3     276     294     300     303       2
     273     270     276     279       3     273     270     276     282       3
     273     270     276     294       3     270     276     282     285      10
     270     276     282     288      10     270     276     282     291      10
     327     324     330     333       1     327     324    -330     333       2
     324     330     336     339       3     321     312     306     324      10
     318     312     306     324      10     315     312     306     324      10
     309     306     312     315      10     309     306     312     318      10
     309     306     312     321      10     309     306     324     327      13
     309     306    -324     327      14     309     306     324     330       3
     306     324     330     333       2     303     300     306     309       3
     303     300     306     312       3     303     300     306     324       3
     300     306     312     315      10     300     306     312     318      10
     300     306     312     321      10     351     342     336     354      10
     348     342     336     354      10     345     342     336     354      10
     339     336     342     345      10     339     336     342     348      10
     339     336     342     351      10     339     336     354     357      13
     339     336    -354     357      14     333     330     336     339       3
     333     330     336     342       3     333     330     336     354       3
     330     336     342     345      10     330     336     342     348      10
     330     336     342     351      10      24      36     -30     -33      19
      54      66     -60     -63      19      84      96     -90     -93      19
     114     126    -120    -123      19     144     156    -150    -153      19
     174     186    -180    -183      19     204     216    -210    -213      19
     234     246    -240    -243      19     264     276    -270    -273      19
     294     306    -300    -303      19     324     336    -330    -333      19
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   
      27      24      30      36       2      24      30      36      42       1
      24      30     -36      42       4      24      30     -36      42       5
      24      30     -36      42       6      24      30      36      54       7
      24      30     -36      54       8      24      30     -36      54       9
      24      30     -36      54       6      12       6      24      27       3
      12       6      24      30      11      12       6     -24      30      12
      12       6     -24      30       5      12       6     -24      30       6
       6      24      30      36       2       0       6      24      27       3
       0       6      24      30      15       0       6     -24      30      16
       0       6     -24      30      17       0       6     -24      30       6
      57      54      60      66       2      54      60      66      72       1
      54      60     -66      72       4      54      60     -66      72       5
      54      60     -66      72       6      54      60      66      84       7
      54      60     -66      84       8      54      60     -66      84       9
      54      60     -66      84       6      42      36      54      57       3
      42      36      54      60      11      42      36     -54      60      12
      42      36     -54      60       5      42      36     -54      60       6
      36      54      60      66       2      30      36      54      57       3
      30      36      54      60      15      30      36     -54      60      16
      30      36     -54      60      17      30      36     -54      60       6
      87      84      90      96       2      84      90      96     102       1
      84      90     -96     102       4      84      90     -96     102       5
      84      90     -96     102       6      84      90      96     114       7
      84      90     -96     114       8      84      90     -96     114       9
      84      90     -96     114       6      72      66      84      87       3
      72      66      84      90      11      72      66     -84      90      12
      72      66     -84      90       5      72      66     -84      90       6
      66      84      90      96       2      60      66      84      87       3
      60      66      84      90      15      60      66     -84      90      16
      60      66     -84      90      17      60      66     -84      90       6
     117     114     120     126       2     114     120     126     132       1
     114     120    -126     132       4     114     120    -126     132       5
     114     120    -126     132       6     114     120     126     144       7
     114     120    -126     144       8     114     120    -126     144       9
     114     120    -126     144       6     102      96     114     117       3
     102      96     114     120      11     102      96    -114     120      12
     102      96    -114     120       5     102      96    -114     120       6
      96     114     120     126       2      90      96     114     117       3
      90      96     114     120      15      90      96    -114     120      16
      90      96    -114     120      17      90      96    -114     120       6
     147     144     150     156       2     144     150     156     162       1
     144     150    -156     162       4     144     150    -156     162       5
     144     150    -156     162       6     144     150     156     174       7
     144     150    -156     174       8     144     150    -156     174       9
     144     150    -156     174       6     132     126     144     147       3
     132     126     144     150      11     132     126    -144     150      12
     132     126    -144     150       5     132     126    -144     150       6
     126     144     150     156       2     120     126     144     147       3
     120     126     144     150      15     120     126    -144     150      16
     120     126    -144     150      17     120     126    -144     150       6
     177     174     180     186       2     174     180     186     192       1
     174     180    -186     192       4     174     180    -186     192       5
     174     180    -186     192       6     174     180     186     204       7
     174     180    -186     204       8     174     180    -186     204       9
     174     180    -186     204       6     162     156     174     177       3
     162     156     174     180      11     162     156    -174     180      12
     162     156    -174     180       5     162     156    -174     180       6
     156     174     180     186       2     150     156     174     177       3
     150     156     174     180      15     150     156    -174     180      16
     150     156    -174     180      17     150     156    -174     180       6
     207     204     210     216       2     204     210     216     222       1
     204     210    -216     222       4     204     210    -216     222       5
     204     210    -216     222       6     204     210     216     234       7
     204     210    -216     234       8     204     210    -216     234       9
     204     210    -216     234       6     192     186     204     207       3
     192     186     204     210      11     192     186    -204     210      12
     192     186    -204     210       5     192     186    -204     210       6
     186     204     210     216       2     180     186     204     207       3
     180     186     204     210      15     180     186    -204     210      16
     180     186    -204     210      17     180     186    -204     210       6
     237     234     240     246       2     234     240     246     252       1
     234     240    -246     252       4     234     240    -246     252       5
     234     240    -246     252       6     234     240     246     264       7
     234     240    -246     264       8     234     240    -246     264       9
     234     240    -246     264       6     222     216     234     237       3
     222     216     234     240      11     222     216    -234     240      12
     222     216    -234     240       5     222     216    -234     240       6
     216     234     240     246       2     210     216     234     237       3
     210     216     234     240      15     210     216    -234     240      16
     210     216    -234     240      17     210     216    -234     240       6
     267     264     270     276       2     264     270     276     282       1
     264     270    -276     282       4     264     270    -276     282       5
     264     270    -276     282       6     264     270     276     294       7
     264     270    -276     294       8     264     270    -276     294       9
     264     270    -276     294       6     252     246     264     267       3
     252     246     264     270      11     252     246    -264     270      12
     252     246    -264     270       5     252     246    -264     270       6
     246     264     270     276       2     240     246     264     267       3
     240     246     264     270      15     240     246    -264     270      16
     240     246    -264     270      17     240     246    -264     270       6
     297     294     300     306       2     294     300     306     312       1
     294     300    -306     312       4     294     300    -306     312       5
     294     300    -306     312       6     294     300     306     324       7
     294     300    -306     324       8     294     300    -306     324       9
     294     300    -306     324       6     282     276     294     297       3
     282     276     294     300      11     282     276    -294     300      12
     282     276    -294     300       5     282     276    -294     300       6
     276     294     300     306       2     270     276     294     297       3
     270     276     294     300      15     270     276    -294     300      16
     270     276    -294     300      17     270     276    -294     300       6
     327     324     330     336       2     324     330     336     342       1
     324     330    -336     342       4     324     330    -336     342       5
     324     330    -336     342       6     324     330     336     354       7
     324     330    -336     354       8     324     330    -336     354       9
     324     330    -336     354       6     312     306     324     327       3
     312     306     324     330      11     312     306    -324     330      12
     312     306    -324     330       5     312     306    -324     330       6
     306     324     330     336       2     300     306     324     327       3
     300     306     324     330      15     300     306    -324     330      16
     300     306    -324     330      17     300     306    -324     330       6
     342     336     354     357       3     330     336     354     357       3
       6      30     -24     -27      18      36      60     -54     -57      18
      66      90     -84     -87      18      96     120    -114    -117      18
     126     150    -144    -147      18     156     180    -174    -177      18
     186     210    -204    -207      18     216     240    -234    -237      18
     246     270    -264    -267      18     276     300    -294    -297      18
     306     330    -324    -327      18
%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       6       7       8       9      10      11
       3       4       5       9       4       5       6       7       8       9
      10      11      12      13       5       6       7       8       9      10
      11       6       7       8       9      10      11       7       8       9
       8       9       9      10      11      12      13      14      15      19
      11      12      13      12      13      14      15      16      17      18
      19      20      21      13      14      15      19      14      15      16
      17      18      19      20      21      22      23      15      16      17
      18      19      20      21      16      17      18      19      20      21
      17      18      19      18      19      19      20      21      22      23
      24      25      29      21      22      23      22      23      24      25
      26      27      28      29      30      31      23      24      25      29
      24      25      26      27      28      29      30      31      32      33
      25      26      27      28      29      30      31      26      27      28
      29      30      31      27      28      29      28      29      29      30
      31      32      33      34      35      39      31      32      33      32
      33      34      35      36      37      38      39      40      41      33
      34      35      39      34      35      36      37      38      39      40
      41      42      43      35      36      37      38      39      40      41
      36      37      38      39      40      41      37      38      39      38
      39      39      40      41      42      43      44      45      49      41
      42      43      42      43      44      45      46      47      48      49
      50      51      43      44      45      49      44      45      46      47
      48      49      50      51      52      53      45      46      47      48
      49      50      51      46      47      48      49      50      51      47
      48      49      48      49      49      50      51      52      53      54
      55      59      51      52      53      52      53      54      55      56
      57      58      59      60      61      53      54      55      59      54
      55      56      57      58      59      60      61      62      63      55
      56      57      58      59      60      61      56      57      58      59
      60      61      57      58      59      58      59      59      60      61
      62      63      64      65      69      61      62      63      62      63
      64      65      66      67      68      69      70      71      63      64
      65      69      64      65      66      67      68      69      70      71
      72      73      65      66      67      68      69      70      71      66
      67      68      69      70      71      67      68      69      68      69
      69      70      71      72      73      74      75      79      71      72
      73      72      73      74      75      76      77      78      79      80
      81      73      74      75      79      74      75      76      77      78
      79      80      81      82      83      75      76      77      78      79
      80      81      76      77      78      79      80      81      77      78
      79      78      79      79      80      81      82      83      84      85
      89      81      82      83      82      83      84      85      86      87
      88      89      90      91      83      84      85      89      84      85
      86      87      88      89      90      91      92      93      85      86
      87      88      89      90      91      86      87      88      89      90
      91      87      88      89      88      89      89      90      91      92
      93      94      95      99      91      92      93      92      93      94
      95      96      97      98      99     100     101      93      94      95
      99      94      95      96      97      98      99     100     101     102
     103      95      96      97      98      99     100     101      96      97
      98      99     100     101      97      98      99      98      99      99
     100     101     102     103     104     105     109     101     102     103
     102     103     104     105     106     107     108     109     110     111
     103     104     105     109     104     105     106     107     108     109
     110     111     112     113     105     106     107     108     109     110
     111     106     107     108     109     110     111     107     108     109
     108     109     109     110     111     112     113     114     115     119
     111     112     113     112     113     114     115     116     117     118
     119     120     113     114     115     119     114     115     116     117
     118     119     120     115     116     117     118     119     120     116
     117     118     119     120     117     118     119     118     119     119
     120       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   N   H   CT  H1  CT  HC  HC  HC  C   O   
N   H   CT  H1  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  HC  HC  HC  C   O   
N   H   CT  H1  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  HC  HC  HC  C   O   
N   H   CT  H1  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  HC  HC  HC  C   O   
N   H   CT  H1  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  HC  HC  HC  C   O   
N   H   CT  H1  CT  HC  HC  HC  C   O   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   M   E   M   E   3   E   E   E   M   E   
M   E   M   E   3   E   E   E   M   E   M   E   M   E   3   E   E   E   M   E   
M   E   M   E   3   E   E   E   M   E   M   E   M   E   3   E   E   E   M   E   
M   E   M   E   3   E   E   E   M   E   M   E   M   E   3   E   E   E   M   E   
M   E   M   E   3   E   E   E   M   E   M   E   M   E   3   E   E   E   M   E   
M   E   M   E   3   E   E   E   M   E   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
       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       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
       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       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       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
       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       0       0       0       0       0
       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  1.00000000E+00  1.70000000E+00  1.00000000E+00  1.70000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.00000000E+00  1.70000000E+00  1.00000000E+00  1.70000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.70000000E+00  1.50000000E+00
  1.55000000E+00  1.00000000E+00  1.70000000E+00  1.00000000E+00  1.70000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.70000000E+00  1.50000000E+00
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%FLAG SCREEN                                                                    
%FORMAT(5E16.8)                                                                 
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