%VERSION  VERSION_STAMP = V0001.000  DATE = 10/01/13  12:09:07                  
%FLAG TITLE                                                                     
%FORMAT(20a4)                                                                   
ACE                                                                             
%FLAG POINTERS                                                                  
%FORMAT(10I8)                                                                   
     109       7      55      53     119      73     219     151       0       0
     561      12      53      73     151       8      16      17       7       0
       0       0       0       0       0       0       0       0      10       0
       0
%FLAG ATOM_NAME                                                                 
%FORMAT(20a4)                                                                   
HH31CH3 HH32HH33C   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   HN1 HN2 
%FLAG CHARGE                                                                    
%FORMAT(5E16.8)                                                                 
  1.38507702E+00 -3.46704769E+00  1.38509525E+00  1.38507702E+00  9.33716119E+00
 -1.00253628E+01 -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 -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 -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 -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 -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 -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 -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 -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 -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 -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 -8.43692490E+00  4.21846245E+00  4.21846245E+00
%FLAG ATOMIC_NUMBER                                                             
%FORMAT(10I8)                                                                   
       1       6       1       1       6       8       7       1       6       1
       6       1       1       1       6       8       7       1       6       1
       6       1       1       1       6       8       7       1       6       1
       6       1       1       1       6       8       7       1       6       1
       6       1       1       1       6       8       7       1       6       1
       6       1       1       1       6       8       7       1       6       1
       6       1       1       1       6       8       7       1       6       1
       6       1       1       1       6       8       7       1       6       1
       6       1       1       1       6       8       7       1       6       1
       6       1       1       1       6       8       7       1       6       1
       6       1       1       1       6       8       7       1       1
%FLAG MASS                                                                      
%FORMAT(5E16.8)                                                                 
  1.00800000E+00  1.20100000E+01  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  1.00800000E+00
%FLAG ATOM_TYPE_INDEX                                                           
%FORMAT(10I8)                                                                   
       1       2       1       1       3       4       5       6       2       7
       2       1       1       1       3       4       5       6       2       7
       2       1       1       1       3       4       5       6       2       7
       2       1       1       1       3       4       5       6       2       7
       2       1       1       1       3       4       5       6       2       7
       2       1       1       1       3       4       5       6       2       7
       2       1       1       1       3       4       5       6       2       7
       2       1       1       1       3       4       5       6       2       7
       2       1       1       1       3       4       5       6       2       7
       2       1       1       1       3       4       5       6       2       7
       2       1       1       1       3       4       5       6       6
%FLAG NUMBER_EXCLUDED_ATOMS                                                     
%FORMAT(10I8)                                                                   
       6       7       4       3       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       4       3       2       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)                                                                   
ACE ALA ALA ALA ALA ALA ALA ALA ALA ALA ALA NHE 
%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1       7      17      27      37      47      57      67      77      87
      97     107
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  5.70000000E+02  4.90000000E+02  3.40000000E+02  3.17000000E+02  3.40000000E+02
  3.10000000E+02  4.34000000E+02  3.37000000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.22900000E+00  1.33500000E+00  1.09000000E+00  1.52200000E+00  1.09000000E+00
  1.52600000E+00  1.01000000E+00  1.44900000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  8.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  3.50000000E+01
  8.00000000E+01  7.00000000E+01  6.30000000E+01  5.00000000E+01  5.00000000E+01
  5.00000000E+01  5.00000000E+01  5.00000000E+01  8.00000000E+01  6.30000000E+01
  3.50000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  2.14501057E+00  2.09439600E+00  2.12755727E+00  1.91113635E+00  1.91113635E+00
  2.10137732E+00  2.03505478E+00  1.93906163E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  2.06018753E+00  1.91113635E+00  1.91462701E+00  1.92160833E+00
  2.09439600E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.50000000E+00  0.00000000E+00  5.30000000E-01  1.50000000E-01
  5.00000000E-01  8.00000000E-01  8.50000000E-01  8.00000000E-02  1.55555556E-01
  7.00000000E-02  1.00000000E-01  1.70000000E+00  2.00000000E+00  1.05000000E+01
  1.10000000E+00  1.00000000E+00
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  1.00000000E+00  2.00000000E+00  2.00000000E+00  1.00000000E+00  3.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00
  2.00000000E+00  4.00000000E+00  1.00000000E+00  2.00000000E+00  2.00000000E+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  3.14159400E+00
  3.14159400E+00  0.00000000E+00  3.14159400E+00  3.14159400E+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
%FLAG SCEE_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00
%FLAG SCNB_SCALE_FACTOR                                                         
%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  0.00000000E+00
  0.00000000E+00  0.00000000E+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)                                                                 
  7.51607703E+03  9.71708117E+04  1.04308023E+06  8.61541883E+04  9.24822270E+05
  8.19971662E+05  5.44261042E+04  6.47841731E+05  5.74393458E+05  3.79876399E+05
  8.96776989E+04  9.95480466E+05  8.82619071E+05  6.06829342E+05  9.44293233E+05
  1.07193646E+02  2.56678134E+03  2.27577561E+03  1.02595236E+03  2.12601181E+03
  1.39982777E-01  4.98586848E+03  6.78771368E+04  6.01816484E+04  3.69471530E+04
  6.20665997E+04  5.94667300E+01  3.25969625E+03
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  2.17257828E+01  1.26919150E+02  6.75612247E+02  1.12529845E+02  5.99015525E+02
  5.31102864E+02  1.11805549E+02  6.26720080E+02  5.55666448E+02  5.64885984E+02
  1.36131731E+02  7.36907417E+02  6.53361429E+02  6.77220874E+02  8.01323529E+02
  2.59456373E+00  2.06278363E+01  1.82891803E+01  1.53505284E+01  2.09604198E+01
  9.37598976E-02  1.76949863E+01  1.06076943E+02  9.40505980E+01  9.21192136E+01
  1.13252061E+02  1.93248820E+00  1.43076527E+01
%FLAG BONDS_INC_HYDROGEN                                                        
%FORMAT(10I8)                                                                   
       3       6       3       3       9       3       0       3       3      30
      33       3      30      36       3      30      39       3      24      27
       5      18      21       7      60      63       3      60      66       3
      60      69       3      54      57       5      48      51       7      90
      93       3      90      96       3      90      99       3      84      87
       5      78      81       7     120     123       3     120     126       3
     120     129       3     114     117       5     108     111       7     150
     153       3     150     156       3     150     159       3     144     147
       5     138     141       7     180     183       3     180     186       3
     180     189       3     174     177       5     168     171       7     210
     213       3     210     216       3     210     219       3     204     207
       5     198     201       7     240     243       3     240     246       3
     240     249       3     234     237       5     228     231       7     270
     273       3     270     276       3     270     279       3     264     267
       5     258     261       7     300     303       3     300     306       3
     300     309       3     294     297       5     288     291       7     318
     321       7     318     324       7
%FLAG BONDS_WITHOUT_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      12      15       1      12      18       2       3      12       4      42
      45       1      42      48       2      24      30       6      24      42
       4      18      24       8      72      75       1      72      78       2
      54      60       6      54      72       4      48      54       8     102
     105       1     102     108       2      84      90       6      84     102
       4      78      84       8     132     135       1     132     138       2
     114     120       6     114     132       4     108     114       8     162
     165       1     162     168       2     144     150       6     144     162
       4     138     144       8     192     195       1     192     198       2
     174     180       6     174     192       4     168     174       8     222
     225       1     222     228       2     204     210       6     204     222
       4     198     204       8     252     255       1     252     258       2
     234     240       6     234     252       4     228     234       8     282
     285       1     282     288       2     264     270       6     264     282
       4     258     264       8     312     315       1     312     318       2
     294     300       6     294     312       4     288     294       8
%FLAG ANGLES_INC_HYDROGEN                                                       
%FORMAT(10I8)                                                                   
      12      18      21       2       9       3      12       4       6       3
       9       5       6       3      12       4       0       3       6       5
       0       3       9       5       0       3      12       4      42      48
      51       2      36      30      39       5      33      30      36       5
      33      30      39       5      27      24      30       9      27      24
      42      10      24      30      33      11      24      30      36      11
      24      30      39      11      21      18      24      12      18      24
      27      13      72      78      81       2      66      60      69       5
      63      60      66       5      63      60      69       5      57      54
      60       9      57      54      72      10      54      60      63      11
      54      60      66      11      54      60      69      11      51      48
      54      12      48      54      57      13     102     108     111       2
      96      90      99       5      93      90      96       5      93      90
      99       5      87      84      90       9      87      84     102      10
      84      90      93      11      84      90      96      11      84      90
      99      11      81      78      84      12      78      84      87      13
     132     138     141       2     126     120     129       5     123     120
     126       5     123     120     129       5     117     114     120       9
     117     114     132      10     114     120     123      11     114     120
     126      11     114     120     129      11     111     108     114      12
     108     114     117      13     162     168     171       2     156     150
     159       5     153     150     156       5     153     150     159       5
     147     144     150       9     147     144     162      10     144     150
     153      11     144     150     156      11     144     150     159      11
     141     138     144      12     138     144     147      13     192     198
     201       2     186     180     189       5     183     180     186       5
     183     180     189       5     177     174     180       9     177     174
     192      10     174     180     183      11     174     180     186      11
     174     180     189      11     171     168     174      12     168     174
     177      13     222     228     231       2     216     210     219       5
     213     210     216       5     213     210     219       5     207     204
     210       9     207     204     222      10     204     210     213      11
     204     210     216      11     204     210     219      11     201     198
     204      12     198     204     207      13     252     258     261       2
     246     240     249       5     243     240     246       5     243     240
     249       5     237     234     240       9     237     234     252      10
     234     240     243      11     234     240     246      11     234     240
     249      11     231     228     234      12     228     234     237      13
     282     288     291       2     276     270     279       5     273     270
     276       5     273     270     279       5     267     264     270       9
     267     264     282      10     264     270     273      11     264     270
     276      11     264     270     279      11     261     258     264      12
     258     264     267      13     312     318     321       2     312     318
     324       2     306     300     309       5     303     300     306       5
     303     300     309       5     297     294     300       9     297     294
     312      10     294     300     303      11     294     300     306      11
     294     300     309      11     291     288     294      12     288     294
     297      13     321     318     324      16
%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
%FORMAT(10I8)                                                                   
      15      12      18       1      12      18      24       3       3      12
      15       6       3      12      18       7      45      42      48       1
      42      48      54       3      30      24      42       8      24      42
      45       6      24      42      48       7      18      24      30      14
      18      24      42      15      75      72      78       1      72      78
      84       3      60      54      72       8      54      72      75       6
      54      72      78       7      48      54      60      14      48      54
      72      15     105     102     108       1     102     108     114       3
      90      84     102       8      84     102     105       6      84     102
     108       7      78      84      90      14      78      84     102      15
     135     132     138       1     132     138     144       3     120     114
     132       8     114     132     135       6     114     132     138       7
     108     114     120      14     108     114     132      15     165     162
     168       1     162     168     174       3     150     144     162       8
     144     162     165       6     144     162     168       7     138     144
     150      14     138     144     162      15     195     192     198       1
     192     198     204       3     180     174     192       8     174     192
     195       6     174     192     198       7     168     174     180      14
     168     174     192      15     225     222     228       1     222     228
     234       3     210     204     222       8     204     222     225       6
     204     222     228       7     198     204     210      14     198     204
     222      15     255     252     258       1     252     258     264       3
     240     234     252       8     234     252     255       6     234     252
     258       7     228     234     240      14     228     234     252      15
     285     282     288       1     282     288     294       3     270     264
     282       8     264     282     285       6     264     282     288       7
     258     264     270      14     258     264     282      15     315     312
     318       1     300     294     312       8     294     312     315       6
     294     312     318       7     288     294     300      14     288     294
     312      15
%FLAG DIHEDRALS_INC_HYDROGEN                                                    
%FORMAT(10I8)                                                                   
      15      12      18      21       1      15      12     -18      21       2
      12      18      24      27       3       9       3      12      15       7
       9       3     -12      15       3       9       3     -12      15       9
       9       3      12      18       3       6       3      12      15       7
       6       3     -12      15       3       6       3     -12      15       9
       6       3      12      18       3       3      12      18      21       2
       0       3      12      15       7       0       3     -12      15       3
       0       3     -12      15       9       0       3      12      18       3
      45      42      48      51       1      45      42     -48      51       2
      42      48      54      57       3      39      30      24      42      10
      36      30      24      42      10      33      30      24      42      10
      27      24      30      33      10      27      24      30      36      10
      27      24      30      39      10      27      24      42      45       7
      27      24     -42      45       9      27      24      42      48       3
      24      42      48      51       2      21      18      24      27       3
      21      18      24      30       3      21      18      24      42       3
      18      24      30      33      10      18      24      30      36      10
      18      24      30      39      10      75      72      78      81       1
      75      72     -78      81       2      72      78      84      87       3
      69      60      54      72      10      66      60      54      72      10
      63      60      54      72      10      57      54      60      63      10
      57      54      60      66      10      57      54      60      69      10
      57      54      72      75       7      57      54     -72      75       9
      57      54      72      78       3      54      72      78      81       2
      51      48      54      57       3      51      48      54      60       3
      51      48      54      72       3      48      54      60      63      10
      48      54      60      66      10      48      54      60      69      10
     105     102     108     111       1     105     102    -108     111       2
     102     108     114     117       3      99      90      84     102      10
      96      90      84     102      10      93      90      84     102      10
      87      84      90      93      10      87      84      90      96      10
      87      84      90      99      10      87      84     102     105       7
      87      84    -102     105       9      87      84     102     108       3
      84     102     108     111       2      81      78      84      87       3
      81      78      84      90       3      81      78      84     102       3
      78      84      90      93      10      78      84      90      96      10
      78      84      90      99      10     135     132     138     141       1
     135     132    -138     141       2     132     138     144     147       3
     129     120     114     132      10     126     120     114     132      10
     123     120     114     132      10     117     114     120     123      10
     117     114     120     126      10     117     114     120     129      10
     117     114     132     135       7     117     114    -132     135       9
     117     114     132     138       3     114     132     138     141       2
     111     108     114     117       3     111     108     114     120       3
     111     108     114     132       3     108     114     120     123      10
     108     114     120     126      10     108     114     120     129      10
     165     162     168     171       1     165     162    -168     171       2
     162     168     174     177       3     159     150     144     162      10
     156     150     144     162      10     153     150     144     162      10
     147     144     150     153      10     147     144     150     156      10
     147     144     150     159      10     147     144     162     165       7
     147     144    -162     165       9     147     144     162     168       3
     144     162     168     171       2     141     138     144     147       3
     141     138     144     150       3     141     138     144     162       3
     138     144     150     153      10     138     144     150     156      10
     138     144     150     159      10     195     192     198     201       1
     195     192    -198     201       2     192     198     204     207       3
     189     180     174     192      10     186     180     174     192      10
     183     180     174     192      10     177     174     180     183      10
     177     174     180     186      10     177     174     180     189      10
     177     174     192     195       7     177     174    -192     195       9
     177     174     192     198       3     174     192     198     201       2
     171     168     174     177       3     171     168     174     180       3
     171     168     174     192       3     168     174     180     183      10
     168     174     180     186      10     168     174     180     189      10
     225     222     228     231       1     225     222    -228     231       2
     222     228     234     237       3     219     210     204     222      10
     216     210     204     222      10     213     210     204     222      10
     207     204     210     213      10     207     204     210     216      10
     207     204     210     219      10     207     204     222     225       7
     207     204    -222     225       9     207     204     222     228       3
     204     222     228     231       2     201     198     204     207       3
     201     198     204     210       3     201     198     204     222       3
     198     204     210     213      10     198     204     210     216      10
     198     204     210     219      10     255     252     258     261       1
     255     252    -258     261       2     252     258     264     267       3
     249     240     234     252      10     246     240     234     252      10
     243     240     234     252      10     237     234     240     243      10
     237     234     240     246      10     237     234     240     249      10
     237     234     252     255       7     237     234    -252     255       9
     237     234     252     258       3     234     252     258     261       2
     231     228     234     237       3     231     228     234     240       3
     231     228     234     252       3     228     234     240     243      10
     228     234     240     246      10     228     234     240     249      10
     285     282     288     291       1     285     282    -288     291       2
     282     288     294     297       3     279     270     264     282      10
     276     270     264     282      10     273     270     264     282      10
     267     264     270     273      10     267     264     270     276      10
     267     264     270     279      10     267     264     282     285       7
     267     264    -282     285       9     267     264     282     288       3
     264     282     288     291       2     261     258     264     267       3
     261     258     264     270       3     261     258     264     282       3
     258     264     270     273      10     258     264     270     276      10
     258     264     270     279      10     315     312     318     321       1
     315     312    -318     321       2     315     312     318     324       1
     315     312    -318     324       2     309     300     294     312      10
     306     300     294     312      10     303     300     294     312      10
     297     294     300     303      10     297     294     300     306      10
     297     294     300     309      10     297     294     312     315       7
     297     294    -312     315       9     297     294     312     318       3
     294     312     318     321       2     294     312     318     324       2
     291     288     294     297       3     291     288     294     300       3
     291     288     294     312       3     288     294     300     303      10
     288     294     300     306      10     288     294     300     309      10
      12      24     -18     -21      16      42      54     -48     -51      16
      72      84     -78     -81      16     102     114    -108    -111      16
     132     144    -138    -141      16     162     174    -168    -171      16
     192     204    -198    -201      16     222     234    -228    -231      16
     252     264    -258    -261      16     282     294    -288    -291      16
     312     321    -318    -324      17
%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
%FORMAT(10I8)                                                                   
      15      12      18      24       2      12      18      24      30       4
      12      18     -24      30       3      12      18     -24      30       5
      12      18     -24      30       6      12      18      24      42       7
      12      18     -24      42       8       3      12      18      24       2
      45      42      48      54       2      42      48      54      60       4
      42      48     -54      60       3      42      48     -54      60       5
      42      48     -54      60       6      42      48      54      72       7
      42      48     -54      72       8      30      24      42      45       3
      30      24      42      48      11      30      24     -42      48      12
      24      42      48      54       2      18      24      42      45       3
      18      24      42      48      13      18      24     -42      48      14
      75      72      78      84       2      72      78      84      90       4
      72      78     -84      90       3      72      78     -84      90       5
      72      78     -84      90       6      72      78      84     102       7
      72      78     -84     102       8      60      54      72      75       3
      60      54      72      78      11      60      54     -72      78      12
      54      72      78      84       2      48      54      72      75       3
      48      54      72      78      13      48      54     -72      78      14
     105     102     108     114       2     102     108     114     120       4
     102     108    -114     120       3     102     108    -114     120       5
     102     108    -114     120       6     102     108     114     132       7
     102     108    -114     132       8      90      84     102     105       3
      90      84     102     108      11      90      84    -102     108      12
      84     102     108     114       2      78      84     102     105       3
      78      84     102     108      13      78      84    -102     108      14
     135     132     138     144       2     132     138     144     150       4
     132     138    -144     150       3     132     138    -144     150       5
     132     138    -144     150       6     132     138     144     162       7
     132     138    -144     162       8     120     114     132     135       3
     120     114     132     138      11     120     114    -132     138      12
     114     132     138     144       2     108     114     132     135       3
     108     114     132     138      13     108     114    -132     138      14
     165     162     168     174       2     162     168     174     180       4
     162     168    -174     180       3     162     168    -174     180       5
     162     168    -174     180       6     162     168     174     192       7
     162     168    -174     192       8     150     144     162     165       3
     150     144     162     168      11     150     144    -162     168      12
     144     162     168     174       2     138     144     162     165       3
     138     144     162     168      13     138     144    -162     168      14
     195     192     198     204       2     192     198     204     210       4
     192     198    -204     210       3     192     198    -204     210       5
     192     198    -204     210       6     192     198     204     222       7
     192     198    -204     222       8     180     174     192     195       3
     180     174     192     198      11     180     174    -192     198      12
     174     192     198     204       2     168     174     192     195       3
     168     174     192     198      13     168     174    -192     198      14
     225     222     228     234       2     222     228     234     240       4
     222     228    -234     240       3     222     228    -234     240       5
     222     228    -234     240       6     222     228     234     252       7
     222     228    -234     252       8     210     204     222     225       3
     210     204     222     228      11     210     204    -222     228      12
     204     222     228     234       2     198     204     222     225       3
     198     204     222     228      13     198     204    -222     228      14
     255     252     258     264       2     252     258     264     270       4
     252     258    -264     270       3     252     258    -264     270       5
     252     258    -264     270       6     252     258     264     282       7
     252     258    -264     282       8     240     234     252     255       3
     240     234     252     258      11     240     234    -252     258      12
     234     252     258     264       2     228     234     252     255       3
     228     234     252     258      13     228     234    -252     258      14
     285     282     288     294       2     282     288     294     300       4
     282     288    -294     300       3     282     288    -294     300       5
     282     288    -294     300       6     282     288     294     312       7
     282     288    -294     312       8     270     264     282     285       3
     270     264     282     288      11     270     264    -282     288      12
     264     282     288     294       2     258     264     282     285       3
     258     264     282     288      13     258     264    -282     288      14
     300     294     312     315       3     300     294     312     318      11
     300     294    -312     318      12     288     294     312     315       3
     288     294     312     318      13     288     294    -312     318      14
       3      18     -12     -15      15      24      48     -42     -45      15
      54      78     -72     -75      15      84     108    -102    -105      15
     114     138    -132    -135      15     144     168    -162    -165      15
     174     198    -192    -195      15     204     228    -222    -225      15
     234     258    -252    -255      15     264     288    -282    -285      15
     294     318    -312    -315      15
%FLAG EXCLUDED_ATOMS_LIST                                                       
%FORMAT(10I8)                                                                   
       2       3       4       5       6       7       3       4       5       6
       7       8       9       4       5       6       7       5       6       7
       6       7       8       9      10      11      15       7       8       9
       8       9      10      11      12      13      14      15      16      17
       9      10      11      15      10      11      12      13      14      15
      16      17      18      19      11      12      13      14      15      16
      17      12      13      14      15      16      17      13      14      15
      14      15      15      16      17      18      19      20      21      25
      17      18      19      18      19      20      21      22      23      24
      25      26      27      19      20      21      25      20      21      22
      23      24      25      26      27      28      29      21      22      23
      24      25      26      27      22      23      24      25      26      27
      23      24      25      24      25      25      26      27      28      29
      30      31      35      27      28      29      28      29      30      31
      32      33      34      35      36      37      29      30      31      35
      30      31      32      33      34      35      36      37      38      39
      31      32      33      34      35      36      37      32      33      34
      35      36      37      33      34      35      34      35      35      36
      37      38      39      40      41      45      37      38      39      38
      39      40      41      42      43      44      45      46      47      39
      40      41      45      40      41      42      43      44      45      46
      47      48      49      41      42      43      44      45      46      47
      42      43      44      45      46      47      43      44      45      44
      45      45      46      47      48      49      50      51      55      47
      48      49      48      49      50      51      52      53      54      55
      56      57      49      50      51      55      50      51      52      53
      54      55      56      57      58      59      51      52      53      54
      55      56      57      52      53      54      55      56      57      53
      54      55      54      55      55      56      57      58      59      60
      61      65      57      58      59      58      59      60      61      62
      63      64      65      66      67      59      60      61      65      60
      61      62      63      64      65      66      67      68      69      61
      62      63      64      65      66      67      62      63      64      65
      66      67      63      64      65      64      65      65      66      67
      68      69      70      71      75      67      68      69      68      69
      70      71      72      73      74      75      76      77      69      70
      71      75      70      71      72      73      74      75      76      77
      78      79      71      72      73      74      75      76      77      72
      73      74      75      76      77      73      74      75      74      75
      75      76      77      78      79      80      81      85      77      78
      79      78      79      80      81      82      83      84      85      86
      87      79      80      81      85      80      81      82      83      84
      85      86      87      88      89      81      82      83      84      85
      86      87      82      83      84      85      86      87      83      84
      85      84      85      85      86      87      88      89      90      91
      95      87      88      89      88      89      90      91      92      93
      94      95      96      97      89      90      91      95      90      91
      92      93      94      95      96      97      98      99      91      92
      93      94      95      96      97      92      93      94      95      96
      97      93      94      95      94      95      95      96      97      98
      99     100     101     105      97      98      99      98      99     100
     101     102     103     104     105     106     107      99     100     101
     105     100     101     102     103     104     105     106     107     108
     109     101     102     103     104     105     106     107     102     103
     104     105     106     107     103     104     105     104     105     105
     106     107     108     109     107     108     109     108     109     109
       0
%FLAG HBOND_ACOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBOND_BCOEF                                                               
%FORMAT(5E16.8)                                                                 

%FLAG HBCUT                                                                     
%FORMAT(5E16.8)                                                                 

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