*HEADER    TRANSPORT PROTEIN                       03-MAY-06   2GVP              
*TITLE     SOLUTION STRUCTURE OF HUMAN APO SCO1                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SCO1 PROTEIN HOMOLOG, MITOCHONDRIAL;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN (RESIDUES 132-301);                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: SCO1, SCOD1;                                                   
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21DE3 GOLD;                              
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PETG-30A                                  
*KEYWDS    THIOREDOXIN-LIKE FOLD, METALLOPROTEIN, STRUCTURAL GENOMICS,           
*KEYWDS   2 STRUCTURAL PROTEOMICS IN EUROPE, SPINE                               
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    L.BANCI, I.BERTINI, V.CALDERONE, S.CIOFI-BAFFONI, S.MANGANI,          
*AUTHOR   2 P.PAULMAA, M.MARTINELLI, S.WANG, STRUCTURAL PROTEOMICS IN            
*AUTHOR   3 EUROPE (SPINE)                                                       
*REVDAT   1   06-JUN-06 2GVP    0                                                


#
#   5 LYS+ HN      5 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,

      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2=  63,  64,
 &end
#
#   5 LYS+ HA      5 LYS+ QD      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=  66,  67,
 &end
#
#   5 LYS+ HB2     5 LYS+ QE      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2=  69,  70,
 &end
#
#   5 LYS+ HB3     5 LYS+ QE      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2=  69,  70,
 &end
#
#   5 LYS+ QB      5 LYS+ QE      5.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1=  60,  61,
 igr2=  69,  70,
 &end
#
#   7 LEU  HN      7 LEU  HG      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  99, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   7 LEU  HN      7 LEU  QD1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 101, 102, 103,
 &end
#
#   7 LEU  HN      7 LEU  QD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 105, 106, 107,
 &end
#
#   7 LEU  HN      8 LEU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   7 LEU  HA      7 LEU  QD1     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 101, 102, 103,
 &end
#
#   7 LEU  HA      7 LEU  QD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 105, 106, 107,
 &end
#
#   7 LEU  HB2     7 LEU  HG      2.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  99, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   7 LEU  HB2     8 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 111, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#   7 LEU  HB3     7 LEU  HG      2.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  99, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   7 LEU  HB3     8 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 111, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#   7 LEU  QB      7 LEU  HG      2.61                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
 igr1=  96,  97,
 &end
#
#   7 LEU  QB      8 LEU  HN      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 111, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=  96,  97,
 &end
#
#   7 LEU  HG      8 LEU  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 111, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#   8 LEU  HN      8 LEU  HG      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 118, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   8 LEU  HN      8 LEU  QD1     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 120, 121, 122,
 &end
#
#   8 LEU  HN      8 LEU  QD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 124, 125, 126,
 &end
#
#   8 LEU  HN      8 LEU  QQD     5.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr2= 124, 125, 126, 120, 121, 122,
 &end
#
#   8 LEU  HA      8 LEU  QD1     6.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 120, 121, 122,
 &end
#
#   8 LEU  HA      8 LEU  QD2     6.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 124, 125, 126,
 &end
#
#   8 LEU  HB2     9 GLY  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#   8 LEU  HB3     9 GLY  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 130, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#   8 LEU  QB      9 GLY  HN      5.64                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 115, 116,
 &end
#
#   8 LEU  HG      9 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 130, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#   8 LEU  QD1     9 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 120, 121, 122,
 &end
#
#   8 LEU  QD2     9 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 124, 125, 126,
 &end
#
#   9 GLY  HN    112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1756,1757,1758,
 &end
#
#   9 GLY  HN    113 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1770,1779,
 &end
#
#   9 GLY  HN    113 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1772,1777,
 &end
#
#  10 GLY  HN     11 PRO  QD      7.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr2= 145, 146,
 &end
#
#  10 GLY  HN    112 ALA  QB      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2=1756,1757,1758,
 &end
#
#  10 GLY  HN    113 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1772,1777,
 &end
#
#  10 GLY  HN    113 TYR  HH      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,1775, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  11 PRO  HA     24 ASP- HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 349, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  11 PRO  HA     25 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HA    108 GLN  QE2     7.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
 igr2=1697,1698,
 &end
#
#  11 PRO  HB2    12 PHE  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  11 PRO  HB3    12 PHE  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  11 PRO  QB     12 PHE  HN      3.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 151, 152,
 &end
#
#  11 PRO  HG2   108 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 148,1697, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HG2   108 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 148,1698, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HG3   108 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 149,1697, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HG3   108 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 149,1698, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  QG     12 PHE  HN      4.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 148, 149,
 &end
#
#  11 PRO  QG    108 GLN  QE2     6.29                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
 igr1= 148, 149,
 igr2=1697,1698,
 &end
#
#  11 PRO  QD    108 GLN  QE2     8.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.26, r4=10.76,
 igr1= 145, 146,
 igr2=1697,1698,
 &end
#
#  12 PHE  HN     12 PHE  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 168, 172,
 &end
#
#  12 PHE  HN     12 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 170, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HN     13 SER  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 178, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  12 PHE  HN     23 THR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 337, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HN     23 THR  HB      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 339, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  12 PHE  HN     23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  12 PHE  HN     24 ASP- HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 349, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  12 PHE  HN     24 ASP- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 351, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HN     25 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HA    108 GLN  HE21    6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1697, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  12 PHE  HA    108 GLN  HE22    6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1698, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  12 PHE  HA    108 GLN  QE2     6.04                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr2=1697,1698,
 &end
#
#  12 PHE  HA    109 VAL  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1704, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HA    109 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1706, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HA    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
#  12 PHE  QB     14 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 162, 163,
 &end
#
#  12 PHE  QB     14 LEU  QQD    10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
 igr1= 162, 163,
 igr2= 202, 203, 204, 198, 199, 200,
 &end
#
#  12 PHE  QB    108 GLN  QE2     8.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.67, r4=11.17,
 igr1= 162, 163,
 igr2=1697,1698,
 &end
#
#  12 PHE  QB    109 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 162, 163,
 &end
#
#  12 PHE  QB    109 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
 igr1= 162, 163,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
#  12 PHE  QD     13 SER  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     13 SER  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     14 LEU  HN      7.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     14 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 166, 174,
 igr2= 202, 203, 204, 198, 199, 200,
 &end
#
#  12 PHE  QD     22 LYS+ HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     23 THR  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     24 ASP- HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     99 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 166, 174,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  12 PHE  QD    109 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1= 166, 174,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
#  12 PHE  QE     13 SER  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     14 LEU  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     14 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 168, 172,
 igr2= 202, 203, 204, 198, 199, 200,
 &end
#
#  12 PHE  QE     23 THR  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     23 THR  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     24 ASP- HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     24 ASP- HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     25 LYS+ HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     32 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 168, 172,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  12 PHE  QE     71 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 168, 172,
 igr2=1110,1111,1112,1106,1107,1108,
 &end
#
#  12 PHE  QE     99 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 168, 172,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  12 PHE  QE    109 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1= 168, 172,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
#  12 PHE  HZ     24 ASP- HA      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 351, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  12 PHE  HZ     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1110,1111,1112,1106,1107,1108,
 &end
#
#  12 PHE  HZ     73 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1149,1150,1151,
 &end
#
#  12 PHE  HZ     99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  12 PHE  HZ    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
#  13 SER  HN     14 LEU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 189, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  13 SER  HN     14 LEU  HG      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 196, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  13 SER  HN     14 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 198, 199, 200,
 &end
#
#  13 SER  HN     14 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 202, 203, 204,
 &end
#
#  13 SER  HN    105 GLU- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1644, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  13 SER  HN    105 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1646,1647,
 &end
#
#  13 SER  HN    108 GLN  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1689, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  13 SER  HN    108 GLN  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1690, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  13 SER  HN    108 GLN  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1692, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  13 SER  HN    108 GLN  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1693, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  13 SER  HN    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
#  13 SER  HA     22 LYS+ HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 313, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  13 SER  HA     23 THR  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 SER  HA     23 THR  QG2     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 341, 342, 343,
 &end
#
#  13 SER  HA     24 ASP- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 349, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  13 SER  HB2    14 LEU  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 189, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  13 SER  HB2    23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  13 SER  HB3    14 LEU  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 189, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  13 SER  HB3    23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  14 LEU  HN     14 LEU  HG      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 196, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 LEU  HN     14 LEU  QD1     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 198, 199, 200,
 &end
#
#  14 LEU  HN     14 LEU  QD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 202, 203, 204,
 &end
#
#  14 LEU  HN     14 LEU  QQD     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr2= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  HN     21 ARG+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 299, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  14 LEU  HN     21 ARG+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 300, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  14 LEU  HN     22 LYS+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 313, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  14 LEU  HN     23 THR  HA      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 337, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  14 LEU  HN     23 THR  HB      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 339, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  14 LEU  HN     23 THR  QG2     6.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr2= 341, 342, 343,
 &end
#
#  14 LEU  HA     14 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 198, 199, 200,
 &end
#
#  14 LEU  HA     14 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 202, 203, 204,
 &end
#
#  14 LEU  HA    100 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 191,1568, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  14 LEU  HB2    15 THR  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 LEU  HB3    15 THR  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 LEU  QB    100 THR  HN      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr1= 193, 194,
 &end
#
#  14 LEU  QB    109 VAL  QQG     8.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.77, r4=13.27,
 igr1= 193, 194,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
#  14 LEU  HG     15 THR  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 208, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  14 LEU  HG    100 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 196,1568, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  14 LEU  QD1    15 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 198, 199, 200,
 &end
#
#  14 LEU  QD1    99 LEU  HB2     8.64                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1553, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
 igr1= 198, 199, 200,
 &end
#
#  14 LEU  QD1    99 LEU  HB3     8.64                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1554, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
 igr1= 198, 199, 200,
 &end
#
#  14 LEU  QD1   101 GLY  HA2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1584, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 198, 199, 200,
 &end
#
#  14 LEU  QD1   101 GLY  HA3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1585, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 198, 199, 200,
 &end
#
#  14 LEU  QD1   109 VAL  QG1    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
 igr1= 198, 199, 200,
 igr2=1708,1709,1710,
 &end
#
#  14 LEU  QD1   109 VAL  QG2    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
 igr1= 198, 199, 200,
 igr2=1712,1713,1714,
 &end
#
#  14 LEU  QD2    15 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 202, 203, 204,
 &end
#
#  14 LEU  QD2    99 LEU  HB2     8.64                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1553, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
 igr1= 202, 203, 204,
 &end
#
#  14 LEU  QD2    99 LEU  HB3     8.64                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1554, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
 igr1= 202, 203, 204,
 &end
#
#  14 LEU  QD2   101 GLY  HA2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1584, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 202, 203, 204,
 &end
#
#  14 LEU  QD2   101 GLY  HA3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1585, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 202, 203, 204,
 &end
#
#  14 LEU  QD2   109 VAL  QG1    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
 igr1= 202, 203, 204,
 igr2=1708,1709,1710,
 &end
#
#  14 LEU  QD2   109 VAL  QG2    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
 igr1= 202, 203, 204,
 igr2=1712,1713,1714,
 &end
#
#  14 LEU  QQD    15 THR  HN      7.09                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD    73 ILE  HB      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD    73 ILE  QD1     5.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16,
 igr1= 202, 203, 204, 198, 199, 200,
 igr2=1149,1150,1151,
 &end
#
#  14 LEU  QQD    99 LEU  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD    99 LEU  QB      6.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.32, r4=10.82,
 igr1= 202, 203, 204, 198, 199, 200,
 igr2=1553,1554,
 &end
#
#  14 LEU  QQD    99 LEU  HG      5.67                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1556, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   100 THR  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   100 THR  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1570, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   101 GLY  QA      9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1= 202, 203, 204, 198, 199, 200,
 igr2=1584,1585,
 &end
#
#  14 LEU  QQD   102 THR  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1589, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   105 GLU- HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1644, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   109 VAL  HN      8.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   109 VAL  HB      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1706, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   109 VAL  QQG     9.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.68, r4=17.18,
 igr1= 202, 203, 204, 198, 199, 200,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
#  15 THR  HN     99 LEU  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,1551, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HN     99 LEU  QB      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr2=1553,1554,
 &end
#
#  15 THR  HN    100 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,1568, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  15 THR  HN    100 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1574,1575,1576,
 &end
#
#  15 THR  HA     21 ARG+ HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 291, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HA     21 ARG+ HG2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 296, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  15 THR  HA     21 ARG+ HG3     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 297, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  15 THR  HA     21 ARG+ QG      6.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2= 296, 297,
 &end
#
#  15 THR  HA     21 ARG+ QD      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2= 299, 300,
 &end
#
#  15 THR  HA     22 LYS+ HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 313, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  15 THR  HA    100 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210,1568, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HB     16 THR  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 222, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  15 THR  HB     19 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HB     22 LYS+ HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 313, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  15 THR  HB     82 LYS+ QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1283,1284,
 &end
#
#  15 THR  HB     99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  15 THR  HB    100 THR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 212,1568, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  15 THR  HB    100 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1574,1575,1576,
 &end
#
#  15 THR  QG2    16 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    17 HIST HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    18 THR  HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    19 GLY  HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    19 GLY  HA2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    19 GLY  HA3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    20 GLU- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    21 ARG+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 214, 215, 216,
 &end
#
#  16 THR  HN     16 THR  HG1     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 232, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  16 THR  HN     17 HIST HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 236, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  16 THR  HN     18 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 253, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HN     19 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HN     20 GLU- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 274, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  16 THR  HN     20 GLU- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 276, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HN     20 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 278, 279,
 &end
#
#  16 THR  HN     21 ARG+ HA      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 291, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  16 THR  HN     21 ARG+ QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2= 296, 297,
 &end
#
#  16 THR  HN     99 LEU  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,1551, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HN     99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  16 THR  HA     18 THR  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 253, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  16 THR  HA     97 VAL  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1528, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HA     97 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1532,1533,1534,1536,1537,1538,
 &end
#
#  16 THR  HA     99 LEU  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1551, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HA     99 LEU  HB2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1553, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  16 THR  HA     99 LEU  HB3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  16 THR  HA     99 LEU  QB      5.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1553,1554,
 &end
#
#  16 THR  HA     99 LEU  HG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1556, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HA     99 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1558,1559,1560,
 &end
#
#  16 THR  HA     99 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1562,1563,1564,
 &end
#
#  16 THR  HA    100 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1568, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  16 THR  HB     17 HIST HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  16 THR  HB     18 THR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 253, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  16 THR  HB     19 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HB     20 GLU- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 274, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  16 THR  HB     97 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 226,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1532,1533,1534,1536,1537,1538,
 &end
#
#  16 THR  HB     98 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 226,1542, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HB     99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 226,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  16 THR  QG2    17 HIST HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    18 THR  HN      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    20 GLU- HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    20 GLU- QG      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 228, 229, 230,
 igr2= 281, 282,
 &end
#
#  16 THR  QG2    22 LYS+ QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1= 228, 229, 230,
 igr2= 317, 318,
 &end
#
#  16 THR  QG2    99 LEU  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    99 LEU  QQD     9.37                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.17, r4=15.67,
 igr1= 228, 229, 230,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  16 THR  HG1    17 HIST HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HG1    18 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 253, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  16 THR  HG1    19 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  16 THR  HG1    20 GLU- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 274, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  16 THR  HG1    20 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 281, 282,
 &end
#
#  17 HIST HN     17 HIST HD2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 249, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  17 HIST HN     18 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 253, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  17 HIST HN     19 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HN     20 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 274, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HN     86 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 236,1344, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HN     97 VAL  QQG     8.26                
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3=11.13, r4=11.63,
 igr2=1532,1533,1534,1536,1537,1538,
 &end
#
#  17 HIST HN     98 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 236,1542, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HA     17 HIST HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 249, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HA     18 THR  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 253, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  17 HIST HA     82 LYS+ HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1278, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HA     82 LYS+ HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1280, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HA     82 LYS+ HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1281, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HA     82 LYS+ QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1283,1284,
 &end
#
#  17 HIST HA     82 LYS+ QD      7.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr2=1286,1287,
 &end
#
#  17 HIST HA     86 ALA  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1342, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  17 HIST HA     86 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1346,1347,1348,
 &end
#
#  17 HIST HB2    18 THR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 253, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  17 HIST HB2    19 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB2    82 LYS+ HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1278, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB2    85 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1329,1330,1331,
 &end
#
#  17 HIST HB2    86 ALA  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1342, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  17 HIST HB2    86 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1344, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB2    86 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1346,1347,1348,
 &end
#
#  17 HIST HB2    98 GLY  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1542, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  17 HIST HB2    98 GLY  HA2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1544, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  17 HIST HB2    98 GLY  HA3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1545, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  17 HIST HB2    99 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB3    18 THR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  17 HIST HB3    19 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB3    82 LYS+ HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1278, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB3    85 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1329,1330,1331,
 &end
#
#  17 HIST HB3    86 ALA  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1342, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  17 HIST HB3    86 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1344, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB3    86 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1346,1347,1348,
 &end
#
#  17 HIST HB3    98 GLY  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1542, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  17 HIST HB3    98 GLY  HA2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1544, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  17 HIST HB3    98 GLY  HA3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1545, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  17 HIST HB3    99 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST QB     18 THR  HN      5.65                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 240, 241,
 &end
#
#  17 HIST QB     19 GLY  HN      6.01                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 240, 241,
 &end
#
#  17 HIST QB     89 VAL  QQG    10.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69,
 igr1= 240, 241,
 igr2=1393,1394,1395,1397,1398,1399,
 &end
#
#  17 HIST QB     98 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 240, 241,
 &end
#
#  17 HIST QB     98 GLY  QA      7.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85,
 igr1= 240, 241,
 igr2=1544,1545,
 &end
#
#  17 HIST QB     99 LEU  HN      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 240, 241,
 &end
#
#  17 HIST HD2    86 ALA  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1342, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  17 HIST HD2    86 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1344, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HD2    86 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1346,1347,1348,
 &end
#
#  17 HIST HE1    86 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1344, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HE1    97 VAL  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1528, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HE1    97 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1530, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HE1    97 VAL  QQG     8.86                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr2=1532,1533,1534,1536,1537,1538,
 &end
#
#  17 HIST HE1    98 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1542, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  18 THR  HN     18 THR  QG2     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 259, 260, 261,
 &end
#
#  18 THR  HN     19 GLY  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  18 THR  HN     19 GLY  HA2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 269, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  18 THR  HN     19 GLY  HA3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 270, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  18 THR  HN     19 GLY  QA      4.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 269, 270,
 &end
#
#  18 THR  HN     20 GLU- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 274, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  18 THR  HN     20 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 278, 279,
 &end
#
#  18 THR  HN     20 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 281, 282,
 &end
#
#  18 THR  HN     97 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1532,1533,1534,1536,1537,1538,
 &end
#
#  18 THR  HN     99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  18 THR  HB     19 GLY  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 267, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  18 THR  QG2    19 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 259, 260, 261,
 &end
#
#  18 THR  QG2    20 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 259, 260, 261,
 &end
#
#  18 THR  QG2    20 GLU- QG      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 259, 260, 261,
 igr2= 281, 282,
 &end
#
#  19 GLY  HN     20 GLU- HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  19 GLY  HN     20 GLU- QB      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2= 278, 279,
 &end
#
#  19 GLY  HN     20 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 281, 282,
 &end
#
#  19 GLY  HN     82 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1289,1290,
 &end
#
#  19 GLY  HA2    82 LYS+ HD2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1286, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  19 GLY  HA2    82 LYS+ HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1287, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  19 GLY  HA2    82 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1289,1290,
 &end
#
#  19 GLY  HA3    82 LYS+ HD2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1286, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  19 GLY  HA3    82 LYS+ HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1287, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  19 GLY  HA3    82 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1289,1290,
 &end
#
#  19 GLY  QA     82 LYS+ QG      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 269, 270,
 igr2=1283,1284,
 &end
#
#  19 GLY  QA     82 LYS+ QD      7.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85,
 igr1= 269, 270,
 igr2=1286,1287,
 &end
#
#  20 GLU- HN     20 GLU- QG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 281, 282,
 &end
#
#  20 GLU- HN     21 ARG+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 289, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  20 GLU- HA     21 ARG+ HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 GLU- HA     22 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  20 GLU- QG     21 ARG+ HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 281, 282,
 &end
#
#  21 ARG+ HN     21 ARG+ QG      5.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 296, 297,
 &end
#
#  21 ARG+ HN     21 ARG+ HD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  21 ARG+ HN     21 ARG+ HD3     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 300, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  21 ARG+ HN     21 ARG+ QD      6.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2= 299, 300,
 &end
#
#  21 ARG+ HN     22 LYS+ HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 313, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  21 ARG+ HA     21 ARG+ HD2     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  21 ARG+ HA     21 ARG+ HD3     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 300, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  21 ARG+ HA     23 THR  QG2     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 341, 342, 343,
 &end
#
#  21 ARG+ HG2    22 LYS+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 313, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 ARG+ HG3    22 LYS+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 313, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 ARG+ QG     22 LYS+ HN      4.31                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 296, 297,
 &end
#
#  21 ARG+ HD2    22 LYS+ HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 313, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  21 ARG+ HD2    23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  21 ARG+ HD3    22 LYS+ HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 313, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  21 ARG+ HD3    23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  22 LYS+ HN     22 LYS+ QB      3.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 317, 318,
 &end
#
#  22 LYS+ HN     22 LYS+ HG2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  22 LYS+ HN     22 LYS+ HG3     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  22 LYS+ HN     22 LYS+ QG      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 320, 321,
 &end
#
#  22 LYS+ HN     22 LYS+ QD      3.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 323, 324,
 &end
#
#  22 LYS+ HN     22 LYS+ HE2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 326, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HN     22 LYS+ HE3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HN     23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  22 LYS+ HN     27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  22 LYS+ HA     22 LYS+ HD2     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 323, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  22 LYS+ HA     22 LYS+ HD3     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 324, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  22 LYS+ HA     22 LYS+ QD      5.65                
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 323, 324,
 &end
#
#  22 LYS+ HA     22 LYS+ HE2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 326, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HA     22 LYS+ HE3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HA     23 THR  QG2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 341, 342, 343,
 &end
#
#  22 LYS+ HA     26 ASP- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 383, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  22 LYS+ HA     26 ASP- HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 387, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HA     26 ASP- HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 388, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HB2    22 LYS+ HE2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 326, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  22 LYS+ HB2    22 LYS+ HE3     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 327, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  22 LYS+ HB2    23 THR  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 335, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  22 LYS+ HB2    27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  22 LYS+ HB3    22 LYS+ HE2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 326, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  22 LYS+ HB3    22 LYS+ HE3     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 327, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  22 LYS+ HB3    23 THR  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 335, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  22 LYS+ HB3    27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  22 LYS+ QB     22 LYS+ QD      3.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 317, 318,
 igr2= 323, 324,
 &end
#
#  22 LYS+ QB     22 LYS+ QE      5.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 317, 318,
 igr2= 326, 327,
 &end
#
#  22 LYS+ QB     23 THR  HN      4.92                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 317, 318,
 &end
#
#  22 LYS+ QB     27 TYR  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1= 317, 318,
 igr2= 405, 410,
 &end
#
#  22 LYS+ HG2    23 THR  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 335, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  22 LYS+ HG3    23 THR  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  22 LYS+ QG     23 THR  HN      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 320, 321,
 &end
#
#  22 LYS+ QG     27 TYR  HN      6.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 320, 321,
 &end
#
#  22 LYS+ HD2    23 THR  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  22 LYS+ HD3    23 THR  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 335, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  22 LYS+ QD     23 THR  HN      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 323, 324,
 &end
#
#  22 LYS+ HE2    23 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HE3    23 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  23 THR  HN     24 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 349, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 THR  HN     25 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  23 THR  HN     26 ASP- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 383, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  23 THR  HN     26 ASP- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 385, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  23 THR  HN     26 ASP- HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 387, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 THR  HN     26 ASP- HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 388, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 THR  HN     26 ASP- QB      5.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 387, 388,
 &end
#
#  23 THR  HN     27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  23 THR  HN     27 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 405, 410,
 &end
#
#  23 THR  HA     25 LYS+ HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 361, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  23 THR  HB     24 ASP- HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  23 THR  HB     25 LYS+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 361, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  23 THR  QG2    24 ASP- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr1= 341, 342, 343,
 &end
#
#  24 ASP- HN     25 LYS+ HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 361, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  24 ASP- HN     26 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  24 ASP- HA     26 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  24 ASP- HA     27 TYR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 395, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  24 ASP- HA     27 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 405, 410,
 &end
#
#  24 ASP- HA     28 LEU  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 416, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  24 ASP- HB2    25 LYS+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 361, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  24 ASP- HB3    25 LYS+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  25 LYS+ HN     25 LYS+ HG2     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 368, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  25 LYS+ HN     25 LYS+ HG3     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 369, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  25 LYS+ HN     25 LYS+ QG      4.11                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 368, 369,
 &end
#
#  25 LYS+ HN     25 LYS+ HD2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 371, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  25 LYS+ HN     25 LYS+ HD3     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 372, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  25 LYS+ HN     25 LYS+ QD      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 371, 372,
 &end
#
#  25 LYS+ HN     25 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HN     26 ASP- HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 383, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  25 LYS+ HN     26 ASP- QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 387, 388,
 &end
#
#  25 LYS+ HN     27 TYR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 395, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  25 LYS+ HN     28 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 416, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  25 LYS+ HA     25 LYS+ HD2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 371, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  25 LYS+ HA     25 LYS+ HD3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 372, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  25 LYS+ HA     25 LYS+ QD      5.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 371, 372,
 &end
#
#  25 LYS+ HA     27 TYR  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 395, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  25 LYS+ HA     28 LEU  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 416, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  25 LYS+ HB2    25 LYS+ QE      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HB2    26 ASP- HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 383, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  25 LYS+ HB3    25 LYS+ QE      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HB3    26 ASP- HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 383, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  25 LYS+ QB     25 LYS+ QE      6.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 365, 366,
 igr2= 374, 375,
 &end
#
#  25 LYS+ QB     26 ASP- HN      4.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 365, 366,
 &end
#
#  25 LYS+ HG2    26 ASP- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  25 LYS+ HG3    26 ASP- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  25 LYS+ QG     26 ASP- HN      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 368, 369,
 &end
#
#  25 LYS+ QD     26 ASP- HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 371, 372,
 &end
#
#  25 LYS+ QE     26 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 374, 375,
 &end
#
#  26 ASP- HN     27 TYR  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 395, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  26 ASP- HN     27 TYR  HB2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 399, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  26 ASP- HN     27 TYR  HB3     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  26 ASP- HN     27 TYR  QB      5.96                
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2= 399, 400,
 &end
#
#  26 ASP- HN     27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  26 ASP- HN     28 LEU  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 416, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  26 ASP- HB2    27 TYR  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 395, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 ASP- HB3    27 TYR  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 ASP- QB     28 LEU  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 387, 388,
 &end
#
#  27 TYR  HN     27 TYR  QE      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 405, 410,
 &end
#
#  27 TYR  HN     28 LEU  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 416, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  27 TYR  HN     28 LEU  HB2     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 420, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  27 TYR  HN     28 LEU  HB3     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 421, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  27 TYR  HN     28 LEU  QB      4.83                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 420, 421,
 &end
#
#  27 TYR  HN     30 GLN  QE2     7.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
 igr2= 454, 455,
 &end
#
#  27 TYR  HN     32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  27 TYR  HN     32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  27 TYR  HA     30 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 454, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  27 TYR  HA     30 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 455, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  27 TYR  HA     32 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  27 TYR  HB2    28 LEU  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 416, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  27 TYR  HB2    30 GLN  HE21    8.25                
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 454, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,  &end
#
#  27 TYR  HB2    30 GLN  HE22    8.25                
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 455, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,  &end
#
#  27 TYR  HB2    32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  27 TYR  HB2    32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  27 TYR  HB3    28 LEU  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 416, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  27 TYR  HB3    30 GLN  HE21    8.25                
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 454, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,  &end
#
#  27 TYR  HB3    30 GLN  HE22    8.25                
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 455, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,  &end
#
#  27 TYR  HB3    32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  27 TYR  HB3    32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  27 TYR  QB     30 GLN  QE2     7.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 399, 400,
 igr2= 454, 455,
 &end
#
#  27 TYR  QB     71 LEU  QQD    10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1= 399, 400,
 igr2=1110,1111,1112,1106,1107,1108,
 &end
#
#  27 TYR  QD     71 LEU  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 403, 412,
 igr2=1106,1107,1108,
 &end
#
#  27 TYR  QD     71 LEU  QD2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 403, 412,
 igr2=1110,1111,1112,
 &end
#
#  27 TYR  QD     97 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1= 403, 412,
 igr2=1532,1533,1534,1536,1537,1538,
 &end
#
#  27 TYR  QE     30 GLN  HE21    8.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr1= 405, 410,
 &end
#
#  27 TYR  QE     30 GLN  HE22    8.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr1= 405, 410,
 &end
#
#  27 TYR  QE     32 LEU  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 405, 410,
 igr2= 492, 493, 494,
 &end
#
#  27 TYR  QE     32 LEU  QD2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 405, 410,
 igr2= 496, 497, 498,
 &end
#
#  27 TYR  QE     71 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 405, 410,
 igr2=1110,1111,1112,1106,1107,1108,
 &end
#
#  27 TYR  QE     97 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1= 405, 410,
 igr2=1532,1533,1534,1536,1537,1538,
 &end
#
#  28 LEU  HN     28 LEU  HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 420, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  28 LEU  HN     28 LEU  HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 421, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  28 LEU  HN     28 LEU  HG      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  28 LEU  HN     28 LEU  QD1     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 425, 426, 427,
 &end
#
#  28 LEU  HN     28 LEU  QD2     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 429, 430, 431,
 &end
#
#  28 LEU  HN     28 LEU  QQD     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  HN     29 GLY  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 435, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  28 LEU  HN     30 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 442, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  28 LEU  HA     28 LEU  HG      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 423, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 LEU  HA     28 LEU  QD1     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 425, 426, 427,
 &end
#
#  28 LEU  HA     28 LEU  QD2     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 429, 430, 431,
 &end
#
#  28 LEU  HA     30 GLN  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 442, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  28 LEU  HA    143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 418,2245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  28 LEU  HB2    29 GLY  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  28 LEU  HB2    30 GLN  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 442, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  28 LEU  HB3    29 GLY  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  28 LEU  HB3    30 GLN  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 442, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  28 LEU  QB     29 GLY  HN      5.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 420, 421,
 &end
#
#  28 LEU  HG     29 GLY  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 435, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  28 LEU  QD1    29 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 425, 426, 427,
 &end
#
#  28 LEU  QD1   142 ASP- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2235, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 425, 426, 427,
 &end
#
#  28 LEU  QD1   143 GLY  HA2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2247, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 425, 426, 427,
 &end
#
#  28 LEU  QD1   143 GLY  HA3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2248, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 425, 426, 427,
 &end
#
#  28 LEU  QD2    29 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 429, 430, 431,
 &end
#
#  28 LEU  QD2   142 ASP- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2235, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 429, 430, 431,
 &end
#
#  28 LEU  QD2   143 GLY  HA2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2247, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 429, 430, 431,
 &end
#
#  28 LEU  QD2   143 GLY  HA3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2248, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 429, 430, 431,
 &end
#
#  28 LEU  QQD    29 GLY  HN      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  QQD    30 GLN  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 442, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  QQD   142 ASP- HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2233, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  QQD   143 GLY  HN      8.67                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2245, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  29 GLY  HN     30 GLN  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 442, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  29 GLY  HN    141 PRO  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,2229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  29 GLY  HN    141 PRO  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,2226, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  29 GLY  HN    141 PRO  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,2227, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  29 GLY  HN    141 PRO  QB      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2=2226,2227,
 &end
#
#  29 GLY  HN    141 PRO  QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2223,2224,
 &end
#
#  29 GLY  HA2   141 PRO  HB2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 437,2226, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  29 GLY  HA2   141 PRO  HB3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 437,2227, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  29 GLY  HA3   141 PRO  HB2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 438,2226, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  29 GLY  HA3   141 PRO  HB3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 438,2227, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  29 GLY  QA    141 PRO  QB      7.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85,
 igr1= 437, 438,
 igr2=2226,2227,
 &end
#
#  30 GLN  HN     30 GLN  QG      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2= 449, 450,
 &end
#
#  30 GLN  HN     30 GLN  QE2     6.77                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr2= 454, 455,
 &end
#
#  30 GLN  HN     31 TRP  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 459, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  30 GLN  HN     32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  30 GLN  HN     32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  30 GLN  HN    141 PRO  HA      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,2229, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  30 GLN  HN    141 PRO  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,2226, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  30 GLN  HN    141 PRO  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,2227, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  30 GLN  HN    141 PRO  QB      6.25                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr2=2226,2227,
 &end
#
#  30 GLN  HA     30 GLN  HE21    6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 454, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  30 GLN  HA     30 GLN  HE22    6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 455, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  30 GLN  HA     30 GLN  QE2     5.89                
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 454, 455,
 &end
#
#  30 GLN  HA     31 TRP  HD1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 467, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  30 GLN  QB     30 GLN  HE21    6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 446, 447,
 &end
#
#  30 GLN  QB     30 GLN  HE22    6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 446, 447,
 &end
#
#  30 GLN  QB     32 LEU  QQD    10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
 igr1= 446, 447,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  30 GLN  QB     69 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 446, 447,
 &end
#
#  30 GLN  QG     31 TRP  HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1= 449, 450,
 &end
#
#  30 GLN  QG     69 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 449, 450,
 &end
#
#  30 GLN  QG     69 THR  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 449, 450,
 &end
#
#  30 GLN  HE21   32 LEU  QD1     9.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
 igr2= 492, 493, 494,
 &end
#
#  30 GLN  HE21   32 LEU  QD2     9.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
 igr2= 496, 497, 498,
 &end
#
#  30 GLN  HE21   69 THR  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,1073, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  30 GLN  HE21   69 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1075,1076,1077,
 &end
#
#  30 GLN  HE22   32 LEU  QD1     9.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
 igr2= 492, 493, 494,
 &end
#
#  30 GLN  HE22   32 LEU  QD2     9.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
 igr2= 496, 497, 498,
 &end
#
#  30 GLN  HE22   69 THR  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,1073, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  30 GLN  HE22   69 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1075,1076,1077,
 &end
#
#  30 GLN  QE2    32 LEU  QQD     7.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.91, r4=12.41,
 igr1= 454, 455,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  30 GLN  QE2    69 THR  HB      5.69                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 454, 455,
 &end
#
#  31 TRP  HN     31 TRP  HD1     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 467, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  31 TRP  HN     31 TRP  HE3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 478, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HN     31 TRP  HE1     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 469, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  31 TRP  HN     32 LEU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 483, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  31 TRP  HN     32 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  31 TRP  HN     68 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1059,1060,1061,
 &end
#
#  31 TRP  HN     68 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1063,1064,1065,
 &end
#
#  31 TRP  HA     31 TRP  HE1     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 469, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  31 TRP  HA    139 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 461,2193, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HB2    32 LEU  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 483, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  31 TRP  HB2    68 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1059,1060,1061,
 &end
#
#  31 TRP  HB2    68 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1063,1064,1065,
 &end
#
#  31 TRP  HB2    69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,1069, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HB2   138 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=2183,2184,2185,
 &end
#
#  31 TRP  HB2   138 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=2187,2188,2189,
 &end
#
#  31 TRP  HB3    32 LEU  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 483, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  31 TRP  HB3    68 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1059,1060,1061,
 &end
#
#  31 TRP  HB3    68 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1063,1064,1065,
 &end
#
#  31 TRP  HB3    69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,1069, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HB3   138 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=2183,2184,2185,
 &end
#
#  31 TRP  HB3   138 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=2187,2188,2189,
 &end
#
#  31 TRP  QB     69 THR  HN      6.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 463, 464,
 &end
#
#  31 TRP  QB    138 LEU  QQD     9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1= 463, 464,
 igr2=2187,2188,2189,2183,2184,2185,
 &end
#
#  31 TRP  HD1    66 PRO  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1031,1032,
 &end
#
#  31 TRP  HD1    67 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1038, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE3    32 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 483, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE3   138 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2187,2188,2189,2183,2184,2185,
 &end
#
#  31 TRP  HE3   146 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2300,2301,2302,2296,2297,2298,
 &end
#
#  31 TRP  HE3   169 TYR  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2656,2657,
 &end
#
#  31 TRP  HE1    66 PRO  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1031, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1    66 PRO  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1032, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1    66 PRO  QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1028,1029,
 &end
#
#  31 TRP  HE1    66 PRO  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1025, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1    66 PRO  HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1026, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   138 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2187,2188,2189,2183,2184,2185,
 &end
#
#  31 TRP  HE1   140 GLY  QA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2214,2215,
 &end
#
#  31 TRP  HE1   141 PRO  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2226, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   141 PRO  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2227, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   141 PRO  QB      5.92                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2=2226,2227,
 &end
#
#  31 TRP  HE1   141 PRO  QG      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2223,2224,
 &end
#
#  31 TRP  HE1   141 PRO  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2220, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   141 PRO  HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2221, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   169 TYR  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2656,2657,
 &end
#
#  31 TRP  HE1   169 TYR  QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2660,2669,
 &end
#
#  31 TRP  HE1   169 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2662,2667,
 &end
#
#  31 TRP  HZ3   138 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2187,2188,2189,2183,2184,2185,
 &end
#
#  31 TRP  HZ3   146 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2300,2301,2302,2296,2297,2298,
 &end
#
#  31 TRP  HZ3   165 HIST HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ3   165 HIST HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,2584, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ3   165 HIST HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,2585, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ2   138 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2187,2188,2189,2183,2184,2185,
 &end
#
#  31 TRP  HH2   138 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2187,2188,2189,2183,2184,2185,
 &end
#
#  31 TRP  HH2   146 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2300,2301,2302,2296,2297,2298,
 &end
#
#  31 TRP  HH2   165 HIST HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,2580, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HH2   165 HIST HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HH2   165 HIST QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2584,2585,
 &end
#
#  32 LEU  HN     32 LEU  QD1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 492, 493, 494,
 &end
#
#  32 LEU  HN     32 LEU  QD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 496, 497, 498,
 &end
#
#  32 LEU  HN     32 LEU  QQD     5.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  32 LEU  HN     33 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 LEU  HN     69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,1069, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HN    138 LEU  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,2176, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HN    138 LEU  QQD     9.07                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3=12.23, r4=12.73,
 igr2=2187,2188,2189,2183,2184,2185,
 &end
#
#  32 LEU  HN    139 ILE  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,2193, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  32 LEU  HN    139 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,2197, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HN    139 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2199,2200,2201,
 &end
#
#  32 LEU  HN    139 ILE  QG1     7.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr2=2203,2204,
 &end
#
#  32 LEU  HN    139 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2206,2207,2208,
 &end
#
#  32 LEU  HA     32 LEU  QD1     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2= 492, 493, 494,
 &end
#
#  32 LEU  HA     32 LEU  QD2     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2= 496, 497, 498,
 &end
#
#  32 LEU  HA     69 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1069, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 LEU  HA     69 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1073, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HA     69 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1075,1076,1077,
 &end
#
#  32 LEU  HA     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1110,1111,1112,1106,1107,1108,
 &end
#
#  32 LEU  HB2    33 LEU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 LEU  HB2    71 LEU  QD1     6.55                
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr2=1106,1107,1108,
 &end
#
#  32 LEU  HB2    71 LEU  QD2     6.55                
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr2=1110,1111,1112,
 &end
#
#  32 LEU  HB2   139 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 487,2193, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HB3    33 LEU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 LEU  HB3    71 LEU  QD1     6.55                
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr2=1106,1107,1108,
 &end
#
#  32 LEU  HB3    71 LEU  QD2     6.55                
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr2=1110,1111,1112,
 &end
#
#  32 LEU  HB3   139 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 488,2193, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  QB     33 LEU  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 487, 488,
 &end
#
#  32 LEU  QB     71 LEU  QQD     5.25                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 487, 488,
 igr2=1110,1111,1112,1106,1107,1108,
 &end
#
#  32 LEU  QB    139 ILE  HN      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 487, 488,
 &end
#
#  32 LEU  QB    139 ILE  HB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2197, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 487, 488,
 &end
#
#  32 LEU  QB    139 ILE  QG1     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1= 487, 488,
 igr2=2203,2204,
 &end
#
#  32 LEU  QB    140 GLY  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2212, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 487, 488,
 &end
#
#  32 LEU  QD1    33 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 492, 493, 494,
 &end
#
#  32 LEU  QD1    70 PRO  HA      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 492, 493, 494,
 &end
#
#  32 LEU  QD1    71 LEU  QD1    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
 igr1= 492, 493, 494,
 igr2=1106,1107,1108,
 &end
#
#  32 LEU  QD1    71 LEU  QD2    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
 igr1= 492, 493, 494,
 igr2=1110,1111,1112,
 &end
#
#  32 LEU  QD1   139 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 492, 493, 494,
 &end
#
#  32 LEU  QD1   139 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2197, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 492, 493, 494,
 &end
#
#  32 LEU  QD1   139 ILE  HG12    9.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2203, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr1= 492, 493, 494,
 &end
#
#  32 LEU  QD1   139 ILE  HG13    9.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2204, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr1= 492, 493, 494,
 &end
#
#  32 LEU  QD2    33 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QD2    70 PRO  HA      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QD2    71 LEU  QD1    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
 igr1= 496, 497, 498,
 igr2=1106,1107,1108,
 &end
#
#  32 LEU  QD2    71 LEU  QD2    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
 igr1= 496, 497, 498,
 igr2=1110,1111,1112,
 &end
#
#  32 LEU  QD2   139 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QD2   139 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2197, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QD2   139 ILE  HG12    9.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2203, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QD2   139 ILE  HG13    9.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2204, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QQD    34 ILE  QD1     9.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.68, r4=15.18,
 igr1= 496, 497, 498, 492, 493, 494,
 igr2= 534, 535, 536,
 &end
#
#  32 LEU  QQD    69 THR  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 496, 497, 498, 492, 493, 494,
 &end
#
#  32 LEU  QQD    69 THR  HB      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1073, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 496, 497, 498, 492, 493, 494,
 &end
#
#  32 LEU  QQD    69 THR  QG2    10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.46, r4=16.96,
 igr1= 496, 497, 498, 492, 493, 494,
 igr2=1075,1076,1077,
 &end
#
#  32 LEU  QQD    70 PRO  HA      6.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 496, 497, 498, 492, 493, 494,
 &end
#
#  32 LEU  QQD    71 LEU  QQD    10.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=18.17, r4=18.67,
 igr1= 496, 497, 498, 492, 493, 494,
 igr2=1110,1111,1112,1106,1107,1108,
 &end
#
#  32 LEU  QQD   139 ILE  QG1     8.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
 igr1= 496, 497, 498, 492, 493, 494,
 igr2=2203,2204,
 &end
#
#  33 LEU  HN     33 LEU  QD1     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2= 511, 512, 513,
 &end
#
#  33 LEU  HN     33 LEU  QD2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2= 515, 516, 517,
 &end
#
#  33 LEU  HN     33 LEU  QQD     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr2= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  HN     34 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 521, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  33 LEU  HN     34 ILE  HB      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 525, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  33 LEU  HN     69 THR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1069, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  33 LEU  HN     69 THR  HB      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1073, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  33 LEU  HN     70 PRO  HA      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1093, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  33 LEU  HN     70 PRO  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1090, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HN     70 PRO  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HN     70 PRO  QB      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2=1090,1091,
 &end
#
#  33 LEU  HN     71 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1097, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HN     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1110,1111,1112,1106,1107,1108,
 &end
#
#  33 LEU  HN    136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2147,2148,2149,
 &end
#
#  33 LEU  HA     33 LEU  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 511, 512, 513,
 &end
#
#  33 LEU  HA     33 LEU  QD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 515, 516, 517,
 &end
#
#  33 LEU  HA     34 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 534, 535, 536,
 &end
#
#  33 LEU  HA    136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2147,2148,2149,
 &end
#
#  33 LEU  HA    139 ILE  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,2193, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  33 LEU  HB2    34 ILE  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  33 LEU  HB2    68 LEU  HG      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,1057, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  33 LEU  HB2    70 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,1093, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HB2   138 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=2183,2184,2185,
 &end
#
#  33 LEU  HB2   138 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=2187,2188,2189,
 &end
#
#  33 LEU  HB3    34 ILE  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  33 LEU  HB3    68 LEU  HG      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 507,1057, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  33 LEU  HB3    70 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 507,1093, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HB3   138 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=2183,2184,2185,
 &end
#
#  33 LEU  HB3   138 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=2187,2188,2189,
 &end
#
#  33 LEU  QB     34 ILE  HN      5.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 506, 507,
 &end
#
#  33 LEU  QB     69 THR  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 506, 507,
 &end
#
#  33 LEU  QB     71 LEU  HN      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 506, 507,
 &end
#
#  33 LEU  QB    138 LEU  QQD     9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1= 506, 507,
 igr2=2187,2188,2189,2183,2184,2185,
 &end
#
#  33 LEU  QD1    34 ILE  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   136 MET  HB2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2140, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   136 MET  HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2141, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   136 MET  HG2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2143, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   136 MET  HG3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2144, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   158 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 511, 512, 513,
 igr2=2493,2494,2495,
 &end
#
#  33 LEU  QD2    34 ILE  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   136 MET  HB2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2140, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   136 MET  HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2141, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   136 MET  HG2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2143, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   136 MET  HG3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2144, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   158 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 515, 516, 517,
 igr2=2493,2494,2495,
 &end
#
#  33 LEU  QQD    34 ILE  HN      7.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD    52 MET  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD    52 MET  QG     10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2= 811, 812,
 &end
#
#  33 LEU  QQD    55 VAL  QQG     9.83                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=17.86, r4=18.36,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2= 863, 864, 865, 867, 868, 869,
 &end
#
#  33 LEU  QQD    56 VAL  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD    68 LEU  QB     10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2=1054,1055,
 &end
#
#  33 LEU  QQD    68 LEU  HG      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1057, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD    69 THR  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD    70 PRO  HA      6.77                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD   136 MET  QB      9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2=2140,2141,
 &end
#
#  33 LEU  QQD   136 MET  QG      9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2=2143,2144,
 &end
#
#  33 LEU  QQD   136 MET  QE      8.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.52, r4=15.02,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2=2147,2148,2149,
 &end
#
#  33 LEU  QQD   138 LEU  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2174, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD   138 LEU  QQD     8.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.79, r4=15.29,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2=2187,2188,2189,2183,2184,2185,
 &end
#
#  33 LEU  QQD   149 PHE  QD     11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2=2347,2355,
 &end
#
#  33 LEU  QQD   158 ILE  QD1     9.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.68, r4=15.18,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2=2500,2501,2502,
 &end
#
#  34 ILE  HN     34 ILE  QG1     7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2= 531, 532,
 &end
#
#  34 ILE  HN     34 ILE  QD1     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2= 534, 535, 536,
 &end
#
#  34 ILE  HN     35 TYR  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 540, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  34 ILE  HN     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1110,1111,1112,1106,1107,1108,
 &end
#
#  34 ILE  HN    136 MET  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2140, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    136 MET  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2141, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    136 MET  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2143, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    136 MET  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2144, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2147,2148,2149,
 &end
#
#  34 ILE  HN    137 TYR  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2153, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  34 ILE  HN    137 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2161,2170,
 &end
#
#  34 ILE  HA     70 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,1093, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HA     71 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,1097, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HA     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1110,1111,1112,1106,1107,1108,
 &end
#
#  34 ILE  HA     72 PHE  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,1118, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HA    136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2147,2148,2149,
 &end
#
#  34 ILE  HB     35 TYR  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 540, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  34 ILE  HB    137 TYR  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 525,2153, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  34 ILE  HB    137 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2161,2170,
 &end
#
#  34 ILE  QG2    35 TYR  HN      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    35 TYR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    36 PHE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    71 LEU  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1101, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    71 LEU  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    71 LEU  HG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1104, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    72 PHE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    73 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    73 ILE  QD1     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
 igr1= 527, 528, 529,
 igr2=1149,1150,1151,
 &end
#
#  34 ILE  QG2   137 TYR  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2157, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2   137 TYR  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2158, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2   139 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 527, 528, 529,
 igr2=2206,2207,2208,
 &end
#
#  34 ILE  QG1    35 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 531, 532,
 &end
#
#  34 ILE  QG1   139 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 531, 532,
 igr2=2206,2207,2208,
 &end
#
#  34 ILE  QD1    35 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1    73 ILE  QD1     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 534, 535, 536,
 igr2=1149,1150,1151,
 &end
#
#  34 ILE  QD1   137 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1   137 TYR  QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1= 534, 535, 536,
 igr2=2157,2158,
 &end
#
#  34 ILE  QD1   139 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2197, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1   139 ILE  QG1     8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1= 534, 535, 536,
 igr2=2203,2204,
 &end
#
#  34 ILE  QD1   139 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 534, 535, 536,
 igr2=2206,2207,2208,
 &end
#
#  35 TYR  HN     70 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1093, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HN     71 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1097, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HN     71 LEU  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1101,1102,
 &end
#
#  35 TYR  HN     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1110,1111,1112,1106,1107,1108,
 &end
#
#  35 TYR  HN     72 PHE  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1118, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HN     72 PHE  QB      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr2=1120,1121,
 &end
#
#  35 TYR  HN     72 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1124,1132,
 &end
#
#  35 TYR  HN     72 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1126,1130,
 &end
#
#  35 TYR  HN     73 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HN     73 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1149,1150,1151,
 &end
#
#  35 TYR  HN    136 MET  QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=2147,2148,2149,
 &end
#
#  35 TYR  HA    137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 542,2153, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HB2    52 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 815, 816, 817,
 &end
#
#  35 TYR  HB3    52 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 815, 816, 817,
 &end
#
#  36 PHE  HA     72 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1124,1132,
 &end
#
#  36 PHE  HA     72 PHE  QE      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2=1126,1130,
 &end
#
#  36 PHE  HA     73 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,1136, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  36 PHE  HA     73 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,1140, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  36 PHE  HA     73 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1142,1143,1144,
 &end
#
#  36 PHE  HA     75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1179,1180,1181,
 &end
#
#  36 PHE  HB2    75 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1172,1173,1174,
 &end
#
#  36 PHE  HB2    75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1179,1180,1181,
 &end
#
#  36 PHE  HB3    75 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1172,1173,1174,
 &end
#
#  36 PHE  HB3    75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1179,1180,1181,
 &end
#
#  36 PHE  QD     73 ILE  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 569, 577,
 igr2=1142,1143,1144,
 &end
#
#  36 PHE  QE     73 ILE  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 571, 575,
 igr2=1142,1143,1144,
 &end
#
#  36 PHE  QE    109 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1= 571, 575,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
#  36 PHE  QE    110 ALA  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1720, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 571, 575,
 &end
#
#  36 PHE  HZ     73 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1142,1143,1144,
 &end
#
#  36 PHE  HZ    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
#  36 PHE  HZ    110 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,1720, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     38 PHE  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  37 GLY  HN     72 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1124,1132,
 &end
#
#  37 GLY  HN     72 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1126,1130,
 &end
#
#  37 GLY  HN     72 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1128, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     73 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     73 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1140, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     73 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1142,1143,1144,
 &end
#
#  37 GLY  HN     75 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1172,1173,1174,
 &end
#
#  37 GLY  HN     75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1179,1180,1181,
 &end
#
#  38 PHE  HA     39 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 614, 615, 616,
 &end
#
#  38 PHE  HA     75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1179,1180,1181,
 &end
#
#  38 PHE  QB     76 ASP- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1187, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 592, 593,
 &end
#
#  38 PHE  QB    130 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
 igr1= 592, 593,
 igr2=2045,2046,2047,2049,2050,2051,
 &end
#
#  38 PHE  QD     39 THR  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 596, 604,
 &end
#
#  38 PHE  QD     41 CYS  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 596, 604,
 &end
#
#  39 THR  HA     41 CYS  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  39 THR  HA     88 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1376,1381,
 &end
#
#  39 THR  QG2    72 PHE  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 614, 615, 616,
 igr2=1126,1130,
 &end
#
#  39 THR  QG2    84 ALA  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 614, 615, 616,
 igr2=1317,1318,1319,
 &end
#
#  39 THR  QG2    85 ILE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 614, 615, 616,
 &end
#
#  39 THR  QG2    88 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 614, 615, 616,
 &end
#
#  42 PRO  HA     44 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 661,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2= 683, 684, 685, 687, 688, 689,
 &end
#
#  42 PRO  HD2    44 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2= 683, 684, 685,
 &end
#
#  42 PRO  HD2    44 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2= 687, 688, 689,
 &end
#
#  42 PRO  HD3    44 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2= 683, 684, 685,
 &end
#
#  42 PRO  HD3    44 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2= 687, 688, 689,
 &end
#
#  42 PRO  QD     44 VAL  QQG     9.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.80, r4=14.30,
 igr1= 652, 653,
 igr2= 683, 684, 685, 687, 688, 689,
 &end
#
#  44 VAL  HA     47 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 722, 723,
 &end
#
#  44 VAL  QG1   151 GLN  HE21    9.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2378, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
 igr1= 683, 684, 685,
 &end
#
#  44 VAL  QG1   151 GLN  HE22    9.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2379, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
 igr1= 683, 684, 685,
 &end
#
#  44 VAL  QG2   151 GLN  HE21    9.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2378, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
 igr1= 687, 688, 689,
 &end
#
#  44 VAL  QG2   151 GLN  HE22    9.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2379, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
 igr1= 687, 688, 689,
 &end
#
#  44 VAL  QQG   151 GLN  QE2     7.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.41, r4=11.91,
 igr1= 683, 684, 685, 687, 688, 689,
 igr2=2378,2379,
 &end
#
#  46 PRO  HA     49 LEU  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 752, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  46 PRO  HA     49 LEU  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 753, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  46 PRO  HA     49 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2= 761, 762, 763, 757, 758, 759,
 &end
#
#  46 PRO  HA     50 GLU- QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2= 774, 775,
 &end
#
#  46 PRO  HA     88 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1374,1383,
 &end
#
#  46 PRO  HA     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1450,1454,
 &end
#
#  46 PRO  HA     92 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 714,1452, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  46 PRO  QB     92 PHE  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1= 711, 712,
 igr2=1450,1454,
 &end
#
#  46 PRO  QB     92 PHE  HZ      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 711, 712,
 &end
#
#  47 GLU- HA     50 GLU- HG2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 774, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  47 GLU- HA     50 GLU- HG3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 775, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  47 GLU- HA     50 GLU- QG      5.43                
 &rst
  ixpk= 0, nxpk= 0, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 774, 775,
 &end
#
#  49 LEU  HA     49 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 757, 758, 759,
 &end
#
#  49 LEU  HA     49 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 761, 762, 763,
 &end
#
#  49 LEU  HA     52 MET  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 808, 809,
 &end
#
#  49 LEU  HA     52 MET  QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 811, 812,
 &end
#
#  49 LEU  HA     52 MET  QE      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2= 815, 816, 817,
 &end
#
#  49 LEU  QB     92 PHE  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1= 752, 753,
 igr2=1450,1454,
 &end
#
#  49 LEU  QQD    52 MET  QE     10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.46, r4=16.96,
 igr1= 761, 762, 763, 757, 758, 759,
 igr2= 815, 816, 817,
 &end
#
#  49 LEU  QQD    72 PHE  QB     10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1= 761, 762, 763, 757, 758, 759,
 igr2=1120,1121,
 &end
#
#  49 LEU  QQD    72 PHE  QD     11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 761, 762, 763, 757, 758, 759,
 igr2=1124,1132,
 &end
#
#  49 LEU  QQD    88 TYR  QE     11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 761, 762, 763, 757, 758, 759,
 igr2=1376,1381,
 &end
#
#  49 LEU  QQD    92 PHE  QD     11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 761, 762, 763, 757, 758, 759,
 igr2=1448,1456,
 &end
#
#  49 LEU  QQD    96 LEU  QQD    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=21.33, r4=21.83,
 igr1= 761, 762, 763, 757, 758, 759,
 igr2=1520,1521,1522,1516,1517,1518,
 &end
#
#  50 GLU- HA     53 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 821, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  50 GLU- HA     92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1456,
 &end
#
#  50 GLU- HG2    54 GLN  HE21    8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 852, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  50 GLU- HG2    54 GLN  HE22    8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 853, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  50 GLU- HG2    92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1456,
 &end
#
#  50 GLU- HG3    54 GLN  HE21    8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 852, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  50 GLU- HG3    54 GLN  HE22    8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 853, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  50 GLU- HG3    92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1456,
 &end
#
#  50 GLU- QG     54 GLN  QE2     6.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24,
 igr1= 774, 775,
 igr2= 852, 853,
 &end
#
#  50 GLU- QG     92 PHE  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1= 774, 775,
 igr2=1450,1454,
 &end
#
#  51 LYS+ HA     51 LYS+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 792, 793,
 &end
#
#  51 LYS+ HA     54 GLN  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 844, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  51 LYS+ HA     54 GLN  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 845, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  51 LYS+ HA     54 GLN  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 847, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  51 LYS+ HA     54 GLN  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 848, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  51 LYS+ HA     54 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 852, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  51 LYS+ HA     54 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 853, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  51 LYS+ QB     51 LYS+ QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34,
 igr1= 786, 787,
 igr2= 795, 796,
 &end
#
#  51 LYS+ QB     52 MET  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 786, 787,
 &end
#
#  51 LYS+ QB    158 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 786, 787,
 igr2=2500,2501,2502,
 &end
#
#  51 LYS+ QG     52 MET  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 789, 790,
 &end
#
#  51 LYS+ QG     55 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
 igr1= 789, 790,
 igr2= 863, 864, 865, 867, 868, 869,
 &end
#
#  51 LYS+ QD    155 LYS+ HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2443, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1= 792, 793,
 &end
#
#  51 LYS+ QE    158 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 795, 796,
 igr2=2500,2501,2502,
 &end
#
#  52 MET  HA     52 MET  QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2= 815, 816, 817,
 &end
#
#  52 MET  HA     54 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 840, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  52 MET  HA     55 VAL  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 857, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  52 MET  HA     55 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 861, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  52 MET  HA     55 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 863, 864, 865,
 &end
#
#  52 MET  HA     55 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 867, 868, 869,
 &end
#
#  52 MET  QB     52 MET  QE      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 808, 809,
 igr2= 815, 816, 817,
 &end
#
#  52 MET  QB    136 MET  HG2     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2143, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 808, 809,
 &end
#
#  52 MET  QB    136 MET  HG3     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2144, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 808, 809,
 &end
#
#  52 MET  QE     53 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 815, 816, 817,
 &end
#
#  53 ILE  HN     53 ILE  HG12    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 831, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  53 ILE  HN     53 ILE  HG13    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 832, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  53 ILE  HN     53 ILE  QG1     4.94                
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 831, 832,
 &end
#
#  53 ILE  HN     53 ILE  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 834, 835, 836,
 &end
#
#  53 ILE  HN     54 GLN  HN      2.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 840, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  53 ILE  HN     54 GLN  HG2     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 847, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  53 ILE  HN     54 GLN  HG3     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 848, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  53 ILE  HN     54 GLN  QG      4.32                
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 847, 848,
 &end
#
#  53 ILE  HA     55 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2= 863, 864, 865, 867, 868, 869,
 &end
#
#  53 ILE  HA     56 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 877, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  53 ILE  HA     56 VAL  QQG     6.36                
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,
 igr2= 879, 880, 881, 883, 884, 885,
 &end
#
#  53 ILE  HA     57 ASP- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 889, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  53 ILE  HB     54 GLN  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 840, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  53 ILE  QG2    53 ILE  QD1     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 827, 828, 829,
 igr2= 834, 835, 836,
 &end
#
#  53 ILE  QG2    54 GLN  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 827, 828, 829,
 &end
#
#  53 ILE  QG2    93 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 827, 828, 829,
 &end
#
#  53 ILE  QG2    93 SER  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 827, 828, 829,
 &end
#
#  53 ILE  QG2    93 SER  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 827, 828, 829,
 igr2=1464,1465,
 &end
#
#  53 ILE  HG12   54 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 840, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  53 ILE  HG13   54 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 832, 840, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  53 ILE  QG1    54 GLN  HN      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 831, 832,
 &end
#
#  53 ILE  QD1    54 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 834, 835, 836,
 &end
#
#  53 ILE  QD1    56 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 834, 835, 836,
 &end
#
#  53 ILE  QD1    56 VAL  QQG     5.96                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 834, 835, 836,
 igr2= 879, 880, 881, 883, 884, 885,
 &end
#
#  53 ILE  QD1    57 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 834, 835, 836,
 &end
#
#  53 ILE  QD1    92 PHE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1442, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 834, 835, 836,
 &end
#
#  53 ILE  QD1    92 PHE  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 834, 835, 836,
 &end
#
#  53 ILE  QD1    92 PHE  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1445, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 834, 835, 836,
 &end
#
#  53 ILE  QD1    93 SER  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 834, 835, 836,
 &end
#
#  53 ILE  QD1    93 SER  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 834, 835, 836,
 &end
#
#  53 ILE  QD1    93 SER  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 834, 835, 836,
 igr2=1464,1465,
 &end
#
#  53 ILE  QD1    96 LEU  HN      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 834, 835, 836,
 &end
#
#  53 ILE  QD1    96 LEU  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 834, 835, 836,
 &end
#
#  53 ILE  QD1    96 LEU  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1511, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 834, 835, 836,
 &end
#
#  53 ILE  QD1    96 LEU  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 834, 835, 836,
 &end
#
#  53 ILE  QD1    96 LEU  QB      6.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
 igr1= 834, 835, 836,
 igr2=1511,1512,
 &end
#
#  53 ILE  QD1    96 LEU  QQD     7.77                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.58, r4=13.08,
 igr1= 834, 835, 836,
 igr2=1520,1521,1522,1516,1517,1518,
 &end
#
#  54 GLN  HN     54 GLN  HG2     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 847, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  54 GLN  HN     54 GLN  HG3     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 848, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  54 GLN  HN     54 GLN  QG      3.96                
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 847, 848,
 &end
#
#  54 GLN  HN     54 GLN  QE2     7.27                
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr2= 852, 853,
 &end
#
#  54 GLN  HN     55 VAL  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 857, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  54 GLN  HN     55 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 863, 864, 865,
 &end
#
#  54 GLN  HN     55 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 867, 868, 869,
 &end
#
#  54 GLN  HN     57 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 889, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  54 GLN  HN    155 LYS+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 840,2453, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  54 GLN  HN    155 LYS+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 840,2454, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  54 GLN  HN    155 LYS+ QD      6.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2=2453,2454,
 &end
#
#  54 GLN  HA     54 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 852, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  54 GLN  HA     54 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 853, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  54 GLN  HA     54 GLN  QE2     6.39                
 &rst
  ixpk= 0, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2= 852, 853,
 &end
#
#  54 GLN  HA     57 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 889, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HA     57 ASP- HB2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 893, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HA     57 ASP- HB3     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 894, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HA     57 ASP- QB      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 893, 894,
 &end
#
#  54 GLN  HB2    54 GLN  HE21    7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 852, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  54 GLN  HB2    54 GLN  HE22    7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 853, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  54 GLN  HB2    55 VAL  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 857, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  54 GLN  HB3    54 GLN  HE21    7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 852, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  54 GLN  HB3    54 GLN  HE22    7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 853, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  54 GLN  HB3    55 VAL  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 857, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  54 GLN  QB     56 VAL  QQG    10.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69,
 igr1= 844, 845,
 igr2= 879, 880, 881, 883, 884, 885,
 &end
#
#  54 GLN  QB    155 LYS+ QG      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1= 844, 845,
 igr2=2450,2451,
 &end
#
#  54 GLN  QB    155 LYS+ QD      8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1= 844, 845,
 igr2=2453,2454,
 &end
#
#  54 GLN  HG2    55 VAL  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 857, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  54 GLN  HG2   155 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2450,2451,
 &end
#
#  54 GLN  HG3    55 VAL  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 857, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  54 GLN  HG3   155 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2450,2451,
 &end
#
#  54 GLN  QG     55 VAL  HN      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 857, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 847, 848,
 &end
#
#  54 GLN  HE21  155 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2450,2451,
 &end
#
#  54 GLN  HE22  155 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 853,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2450,2451,
 &end
#
#  55 VAL  HN     55 VAL  HB      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 861, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  55 VAL  HN     56 VAL  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 873, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  55 VAL  HN     57 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 889, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  55 VAL  HN     58 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 901, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  55 VAL  HN    155 LYS+ HD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,2453, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  55 VAL  HN    155 LYS+ HD3     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,2454, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  55 VAL  HN    155 LYS+ QD      5.99                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr2=2453,2454,
 &end
#
#  55 VAL  HA     57 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 889, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  55 VAL  HA     58 GLU- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 901, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  55 VAL  HA     58 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 905, 906,
 &end
#
#  55 VAL  HA     58 GLU- QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2= 908, 909,
 &end
#
#  55 VAL  HA    155 LYS+ QD      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2453,2454,
 &end
#
#  55 VAL  HA    155 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2456,2457,
 &end
#
#  55 VAL  HA    159 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2510,2511,2512,
 &end
#
#  55 VAL  HB     56 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 873, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  55 VAL  QG1   158 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 863, 864, 865,
 igr2=2493,2494,2495,
 &end
#
#  55 VAL  QG1   159 ALA  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 863, 864, 865,
 &end
#
#  55 VAL  QG1   159 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2508, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 863, 864, 865,
 &end
#
#  55 VAL  QG1   160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2516, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 863, 864, 865,
 &end
#
#  55 VAL  QG2   158 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 867, 868, 869,
 igr2=2493,2494,2495,
 &end
#
#  55 VAL  QG2   159 ALA  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 867, 868, 869,
 &end
#
#  55 VAL  QG2   159 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2508, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 867, 868, 869,
 &end
#
#  55 VAL  QG2   160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2516, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 867, 868, 869,
 &end
#
#  55 VAL  QQG    56 VAL  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 863, 864, 865, 867, 868, 869,
 &end
#
#  55 VAL  QQG    56 VAL  HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 863, 864, 865, 867, 868, 869,
 &end
#
#  55 VAL  QQG    57 ASP- HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 889, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 863, 864, 865, 867, 868, 869,
 &end
#
#  55 VAL  QQG    58 GLU- HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 901, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 863, 864, 865, 867, 868, 869,
 &end
#
#  55 VAL  QQG   158 ILE  HB      8.86                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2491, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1= 863, 864, 865, 867, 868, 869,
 &end
#
#  55 VAL  QQG   158 ILE  QG2     8.01                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.97, r4=13.47,
 igr1= 863, 864, 865, 867, 868, 869,
 igr2=2493,2494,2495,
 &end
#
#  55 VAL  QQG   159 ALA  HN      6.89                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 9.29, r4= 9.79,
 igr1= 863, 864, 865, 867, 868, 869,
 &end
#
#  55 VAL  QQG   159 ALA  QB     10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
 igr1= 863, 864, 865, 867, 868, 869,
 igr2=2510,2511,2512,
 &end
#
#  55 VAL  QQG   162 ILE  HB      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2541, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 863, 864, 865, 867, 868, 869,
 &end
#
#  56 VAL  HN     57 ASP- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 889, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  56 VAL  HA     59 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 916, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  56 VAL  HA     59 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 920, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  56 VAL  HA     59 ILE  QG2     3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 922, 923, 924,
 &end
#
#  56 VAL  HA     59 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 929, 930, 931,
 &end
#
#  56 VAL  HA     60 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 935, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  56 VAL  HA     68 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 875,1050, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  56 VAL  HA     68 LEU  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 875,1054, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  56 VAL  HA     68 LEU  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 875,1055, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  56 VAL  HA     68 LEU  QQD     4.97                
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2=1063,1064,1065,1059,1060,1061,
 &end
#
#  56 VAL  HB     57 ASP- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 889, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  56 VAL  QG1    57 ASP- HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 879, 880, 881,
 &end
#
#  56 VAL  QG2    57 ASP- HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 883, 884, 885,
 &end
#
#  56 VAL  QQG    57 ASP- HN      6.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 879, 880, 881, 883, 884, 885,
 &end
#
#  56 VAL  QQG    57 ASP- HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 891, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 879, 880, 881, 883, 884, 885,
 &end
#
#  56 VAL  QQG    68 LEU  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 879, 880, 881, 883, 884, 885,
 &end
#
#  56 VAL  QQG    68 LEU  QB      5.84                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.84, r4= 9.34,
 igr1= 879, 880, 881, 883, 884, 885,
 igr2=1054,1055,
 &end
#
#  56 VAL  QQG    68 LEU  HG      7.96                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1057, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
 igr1= 879, 880, 881, 883, 884, 885,
 &end
#
#  57 ASP- HN     58 GLU- HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  57 ASP- HN     59 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 920, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- HA     59 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 891, 916, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- HA     60 ASP- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 891, 935, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  57 ASP- HA     60 ASP- HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 891, 939, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- HA     60 ASP- HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 891, 940, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- HA     60 ASP- QB      6.25                
 &rst
  ixpk= 0, nxpk= 0, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr2= 939, 940,
 &end
#
#  57 ASP- HB2    58 GLU- HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 901, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  57 ASP- HB2    59 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 916, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- HB3    58 GLU- HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 901, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  57 ASP- HB3    59 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 916, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  58 GLU- HN     58 GLU- HG2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 908, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  58 GLU- HN     58 GLU- HG3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 909, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  58 GLU- HN     59 ILE  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  58 GLU- HN     59 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 922, 923, 924,
 &end
#
#  58 GLU- HN     59 ILE  QG1     7.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr2= 926, 927,
 &end
#
#  58 GLU- HN     60 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 935, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  58 GLU- HA     60 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 935, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  58 GLU- QB     61 SER  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34,
 igr1= 905, 906,
 igr2= 951, 952,
 &end
#
#  58 GLU- QB    159 ALA  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 905, 906,
 igr2=2510,2511,2512,
 &end
#
#  58 GLU- HG2    59 ILE  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 916, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  58 GLU- HG3    59 ILE  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 909, 916, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  58 GLU- QG     59 ILE  HN      4.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 908, 909,
 &end
#
#  58 GLU- QG     60 ASP- HN      6.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr1= 908, 909,
 &end
#
#  58 GLU- QG    159 ALA  QB      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1= 908, 909,
 igr2=2510,2511,2512,
 &end
#
#  59 ILE  HN     59 ILE  HB      3.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 920, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  59 ILE  HN     59 ILE  HG12    5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 926, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  59 ILE  HN     59 ILE  HG13    5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 927, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  59 ILE  HN     59 ILE  QG1     4.92                
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 926, 927,
 &end
#
#  59 ILE  HN     59 ILE  QD1     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 929, 930, 931,
 &end
#
#  59 ILE  HN     60 ASP- HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 935, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  59 ILE  HN     61 SER  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 947, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  59 ILE  HN     62 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 958, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  59 ILE  HN     62 ILE  QD1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 971, 972, 973,
 &end
#
#  59 ILE  HA     59 ILE  QD1     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 929, 930, 931,
 &end
#
#  59 ILE  HA     61 SER  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 947, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  59 ILE  HA     62 ILE  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 958, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  59 ILE  HA     62 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 962, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  59 ILE  HA     62 ILE  QG1     7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2= 968, 969,
 &end
#
#  59 ILE  HA     62 ILE  QD1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 971, 972, 973,
 &end
#
#  59 ILE  HA    159 ALA  QB      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr2=2510,2511,2512,
 &end
#
#  59 ILE  HA    162 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 918,2541, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  59 ILE  HB     60 ASP- HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 935, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  59 ILE  HB     65 LEU  QB      7.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 920,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr2=1009,1010,
 &end
#
#  59 ILE  HB    162 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 920,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2550,2551,2552,
 &end
#
#  59 ILE  QG2    60 ASP- HN      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 922, 923, 924,
 &end
#
#  59 ILE  QG2    60 ASP- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 922, 923, 924,
 &end
#
#  59 ILE  QG2    61 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 922, 923, 924,
 &end
#
#  59 ILE  QG2    62 ILE  HB      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 922, 923, 924,
 &end
#
#  59 ILE  QG2    67 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 922, 923, 924,
 &end
#
#  59 ILE  QG2    68 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 922, 923, 924,
 &end
#
#  59 ILE  QG2    68 LEU  QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1= 922, 923, 924,
 igr2=1054,1055,
 &end
#
#  59 ILE  QG2   159 ALA  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 922, 923, 924,
 igr2=2510,2511,2512,
 &end
#
#  59 ILE  QG2   162 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2541, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 922, 923, 924,
 &end
#
#  59 ILE  HG12   60 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 926, 935, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  59 ILE  HG13   60 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 935, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  59 ILE  QG1    60 ASP- HN      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 926, 927,
 &end
#
#  59 ILE  QG1    61 SER  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 926, 927,
 &end
#
#  59 ILE  QD1    60 ASP- HN      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 929, 930, 931,
 &end
#
#  59 ILE  QD1    61 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 929, 930, 931,
 &end
#
#  59 ILE  QD1   158 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 929, 930, 931,
 igr2=2493,2494,2495,
 &end
#
#  59 ILE  QD1   159 ALA  HA      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2508, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 929, 930, 931,
 &end
#
#  59 ILE  QD1   159 ALA  QB      7.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1= 929, 930, 931,
 igr2=2510,2511,2512,
 &end
#
#  59 ILE  QD1   160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2516, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 929, 930, 931,
 &end
#
#  59 ILE  QD1   162 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 929, 930, 931,
 &end
#
#  59 ILE  QD1   162 ILE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2539, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 929, 930, 931,
 &end
#
#  59 ILE  QD1   162 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2541, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 929, 930, 931,
 &end
#
#  59 ILE  QD1   162 ILE  QG2     6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16,
 igr1= 929, 930, 931,
 igr2=2543,2544,2545,
 &end
#
#  59 ILE  QD1   163 ALA  HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2556, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 929, 930, 931,
 &end
#
#  60 ASP- HN     61 SER  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  60 ASP- HN     62 ILE  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 958, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  60 ASP- HN     67 ASP- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 935,1040, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  60 ASP- HA     68 LEU  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 937,1050, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  60 ASP- HB2    61 SER  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 939, 947, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  60 ASP- HB2    62 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 939, 958, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  60 ASP- HB3    61 SER  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 947, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  60 ASP- HB3    62 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 958, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  61 SER  HN     62 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 962, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  61 SER  HN     62 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 964, 965, 966,
 &end
#
#  61 SER  HN     62 ILE  HG12    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 968, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  61 SER  HN     62 ILE  HG13    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 969, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  61 SER  HN     62 ILE  QG1     5.97                
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2= 968, 969,
 &end
#
#  61 SER  HN     62 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 971, 972, 973,
 &end
#
#  61 SER  HN     63 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 977, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  62 ILE  HN     62 ILE  HB      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 962, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  62 ILE  HN     62 ILE  QG2     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 964, 965, 966,
 &end
#
#  62 ILE  HN     62 ILE  HG12    4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 968, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  62 ILE  HN     62 ILE  HG13    4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 969, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  62 ILE  HN     62 ILE  QG1     4.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 968, 969,
 &end
#
#  62 ILE  HN     62 ILE  QD1     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 971, 972, 973,
 &end
#
#  62 ILE  HN     63 THR  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 977, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  62 ILE  HN     64 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 991, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  62 ILE  HB     63 THR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 962, 977, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  62 ILE  HB     64 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 962, 991, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  62 ILE  HB     65 LEU  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 962,1005, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  62 ILE  QG2    62 ILE  QD1     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 964, 965, 966,
 igr2= 971, 972, 973,
 &end
#
#  62 ILE  QG2    63 THR  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr1= 964, 965, 966,
 &end
#
#  62 ILE  QG2    64 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 964, 965, 966,
 &end
#
#  62 ILE  QG2    65 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 964, 965, 966,
 &end
#
#  62 ILE  HG12   64 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 968, 991, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  62 ILE  HG13   64 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 991, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  62 ILE  QG1    65 LEU  HN      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr1= 968, 969,
 &end
#
#  62 ILE  QD1    63 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 971, 972, 973,
 &end
#
#  62 ILE  QD1    63 THR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 971, 972, 973,
 &end
#
#  63 THR  HN     63 THR  QG2     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 983, 984, 985,
 &end
#
#  63 THR  HN     64 THR  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 977, 991, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  63 THR  HA     65 LEU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 979,1005, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  63 THR  HB     64 THR  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 981, 991, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  63 THR  QG2    64 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 983, 984, 985,
 &end
#
#  64 THR  HN     65 LEU  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 991,1005, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  64 THR  HN     65 LEU  QB      7.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr2=1009,1010,
 &end
#
#  64 THR  HB     65 LEU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 995,1005, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  64 THR  HB    171 LYS+ QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2704,2705,
 &end
#
#  64 THR  HB    171 LYS+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2707,2708,
 &end
#
#  64 THR  QG2    65 LEU  HN      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 997, 998, 999,
 &end
#
#  64 THR  QG2   171 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2697, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 997, 998, 999,
 &end
#
#  64 THR  QG2   173 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2741, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 997, 998, 999,
 &end
#
#  65 LEU  HN     65 LEU  QD1     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1014,1015,1016,
 &end
#
#  65 LEU  HN     65 LEU  QD2     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1018,1019,1020,
 &end
#
#  65 LEU  HN     65 LEU  QQD     4.49                
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1018,1019,1020,1014,1015,1016,
 &end
#
#  65 LEU  HN     66 PRO  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1025, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  65 LEU  HN     66 PRO  HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1026, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  65 LEU  HA    171 LYS+ QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2701,2702,
 &end
#
#  65 LEU  HA    172 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2732,2733,
 &end
#
#  65 LEU  HB2    66 PRO  HD2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1025, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  65 LEU  HB2    66 PRO  HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1026, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  65 LEU  HB3    66 PRO  HD2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1025, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  65 LEU  HB3    66 PRO  HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1026, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  65 LEU  QB     66 PRO  QD      6.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
 igr1=1009,1010,
 igr2=1025,1026,
 &end
#
#  65 LEU  QD1    66 PRO  HB2     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1031, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr1=1014,1015,1016,
 &end
#
#  65 LEU  QD1    66 PRO  HB3     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1032, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr1=1014,1015,1016,
 &end
#
#  65 LEU  QD1    66 PRO  HD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=1014,1015,1016,
 &end
#
#  65 LEU  QD1    66 PRO  HD3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1026, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=1014,1015,1016,
 &end
#
#  65 LEU  QD1   163 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2558, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1014,1015,1016,
 &end
#
#  65 LEU  QD1   163 ALA  QB      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.83, r4=12.33,
 igr1=1014,1015,1016,
 igr2=2560,2561,2562,
 &end
#
#  65 LEU  QD1   171 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2697, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1014,1015,1016,
 &end
#
#  65 LEU  QD2    66 PRO  HB2     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1031, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr1=1018,1019,1020,
 &end
#
#  65 LEU  QD2    66 PRO  HB3     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1032, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr1=1018,1019,1020,
 &end
#
#  65 LEU  QD2    66 PRO  HD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=1018,1019,1020,
 &end
#
#  65 LEU  QD2    66 PRO  HD3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1026, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=1018,1019,1020,
 &end
#
#  65 LEU  QD2   163 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2558, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1018,1019,1020,
 &end
#
#  65 LEU  QD2   163 ALA  QB      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.83, r4=12.33,
 igr1=1018,1019,1020,
 igr2=2560,2561,2562,
 &end
#
#  65 LEU  QD2   171 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2697, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1018,1019,1020,
 &end
#
#  65 LEU  QQD    66 PRO  HA      7.27                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=1018,1019,1020,1014,1015,1016,
 &end
#
#  65 LEU  QQD    66 PRO  QB      7.73                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.70, r4=12.20,
 igr1=1018,1019,1020,1014,1015,1016,
 igr2=1031,1032,
 &end
#
#  65 LEU  QQD    66 PRO  QD      9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1=1018,1019,1020,1014,1015,1016,
 igr2=1025,1026,
 &end
#
#  65 LEU  QQD   163 ALA  QB      7.65                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.38, r4=12.88,
 igr1=1018,1019,1020,1014,1015,1016,
 igr2=2560,2561,2562,
 &end
#
#  65 LEU  QQD   170 ARG+ HA      7.27                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2675, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=1018,1019,1020,1014,1015,1016,
 &end
#
#  65 LEU  QQD   170 ARG+ QD     10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
 igr1=1018,1019,1020,1014,1015,1016,
 igr2=2683,2684,
 &end
#
#  66 PRO  QB     67 ASP- HN      4.45                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1031,1032,
 &end
#
#  66 PRO  QD     67 ASP- HN      5.49                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=1025,1026,
 &end
#
#  67 ASP- HN     68 LEU  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1050, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  67 ASP- HB2    68 LEU  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1050, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  67 ASP- HB3    68 LEU  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1050, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  68 LEU  HN     68 LEU  HG      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1057, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  68 LEU  HN     68 LEU  QD1     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2=1059,1060,1061,
 &end
#
#  68 LEU  HN     68 LEU  QD2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2=1063,1064,1065,
 &end
#
#  68 LEU  HN     68 LEU  QQD     5.84                
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr2=1063,1064,1065,1059,1060,1061,
 &end
#
#  68 LEU  HA     68 LEU  QD1     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=1059,1060,1061,
 &end
#
#  68 LEU  HA     68 LEU  QD2     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=1063,1064,1065,
 &end
#
#  68 LEU  HB2    69 THR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1069, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  68 LEU  HB3    69 THR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1069, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  68 LEU  QB     69 THR  HN      5.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1054,1055,
 &end
#
#  68 LEU  QB     70 PRO  QD      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1=1054,1055,
 igr2=1084,1085,
 &end
#
#  68 LEU  QD1    69 THR  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1=1059,1060,1061,
 &end
#
#  68 LEU  QD2    69 THR  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1=1063,1064,1065,
 &end
#
#  68 LEU  QQD    70 PRO  QB     10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1=1063,1064,1065,1059,1060,1061,
 igr2=1090,1091,
 &end
#
#  68 LEU  QQD    70 PRO  QD     10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
 igr1=1063,1064,1065,1059,1060,1061,
 igr2=1084,1085,
 &end
#
#  69 THR  HN     69 THR  HG1     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1069,1079, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  69 THR  HN     70 PRO  QB      7.12                
 &rst
  ixpk= 0, nxpk= 0, iat=1069,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr2=1090,1091,
 &end
#
#  69 THR  HN     70 PRO  QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1069,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1084,1085,
 &end
#
#  69 THR  QG2    71 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1075,1076,1077,
 &end
#
#  69 THR  QG2    71 LEU  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1075,1076,1077,
 &end
#
#  69 THR  QG2    71 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.96, r4=11.46,
 igr1=1075,1076,1077,
 igr2=1106,1107,1108,
 &end
#
#  69 THR  QG2    71 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.96, r4=11.46,
 igr1=1075,1076,1077,
 igr2=1110,1111,1112,
 &end
#
#  69 THR  QG2    71 LEU  QQD     7.09                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.48, r4=11.98,
 igr1=1075,1076,1077,
 igr2=1110,1111,1112,1106,1107,1108,
 &end
#
#  69 THR  QG2    97 VAL  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1530, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1075,1076,1077,
 &end
#
#  70 PRO  HA     96 LEU  QQD     6.57                
 &rst
  ixpk= 0, nxpk= 0, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
 igr2=1520,1521,1522,1516,1517,1518,
 &end
#
#  70 PRO  HB2    97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1090,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  70 PRO  HB3    97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1091,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  70 PRO  QB     96 LEU  HN      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1090,1091,
 &end
#
#  70 PRO  QG     96 LEU  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1087,1088,
 &end
#
#  71 LEU  HN     71 LEU  HG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  71 LEU  HN     71 LEU  QD1     6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2=1106,1107,1108,
 &end
#
#  71 LEU  HN     71 LEU  QD2     6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2=1110,1111,1112,
 &end
#
#  71 LEU  HN     71 LEU  QQD     6.36                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,
 igr2=1110,1111,1112,1106,1107,1108,
 &end
#
#  71 LEU  HN     96 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1520,1521,1522,1516,1517,1518,
 &end
#
#  71 LEU  HA     71 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1106,1107,1108,
 &end
#
#  71 LEU  HA     71 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1110,1111,1112,
 &end
#
#  71 LEU  HA     97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  71 LEU  HA     97 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1530, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  71 LEU  HA     97 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1532,1533,1534,1536,1537,1538,
 &end
#
#  71 LEU  HB2    72 PHE  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1116, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  71 LEU  HB3    72 PHE  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1116, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  71 LEU  QB     72 PHE  HN      4.92                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1101,1102,
 &end
#
#  71 LEU  QB     73 ILE  QD1     6.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1=1101,1102,
 igr2=1149,1150,1151,
 &end
#
#  71 LEU  QB     97 VAL  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1101,1102,
 &end
#
#  71 LEU  QB     99 LEU  HN      6.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1101,1102,
 &end
#
#  71 LEU  HG     72 PHE  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1116, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  71 LEU  HG     97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  71 LEU  QD1    72 PHE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1106,1107,1108,
 &end
#
#  71 LEU  QD1    73 ILE  QD1     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1=1106,1107,1108,
 igr2=1149,1150,1151,
 &end
#
#  71 LEU  QD1    97 VAL  QG1     8.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
 igr1=1106,1107,1108,
 igr2=1532,1533,1534,
 &end
#
#  71 LEU  QD1    97 VAL  QG2     8.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
 igr1=1106,1107,1108,
 igr2=1536,1537,1538,
 &end
#
#  71 LEU  QD1    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1106,1107,1108,
 &end
#
#  71 LEU  QD1    99 LEU  QD1    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.62, r4=15.12,
 igr1=1106,1107,1108,
 igr2=1558,1559,1560,
 &end
#
#  71 LEU  QD1    99 LEU  QD2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.62, r4=15.12,
 igr1=1106,1107,1108,
 igr2=1562,1563,1564,
 &end
#
#  71 LEU  QD2    72 PHE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1110,1111,1112,
 &end
#
#  71 LEU  QD2    73 ILE  QD1     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1=1110,1111,1112,
 igr2=1149,1150,1151,
 &end
#
#  71 LEU  QD2    97 VAL  QG1     8.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
 igr1=1110,1111,1112,
 igr2=1532,1533,1534,
 &end
#
#  71 LEU  QD2    97 VAL  QG2     8.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
 igr1=1110,1111,1112,
 igr2=1536,1537,1538,
 &end
#
#  71 LEU  QD2    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1110,1111,1112,
 &end
#
#  71 LEU  QD2    99 LEU  QD1    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.62, r4=15.12,
 igr1=1110,1111,1112,
 igr2=1558,1559,1560,
 &end
#
#  71 LEU  QD2    99 LEU  QD2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.62, r4=15.12,
 igr1=1110,1111,1112,
 igr2=1562,1563,1564,
 &end
#
#  71 LEU  QQD    72 PHE  HN      7.23                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1=1110,1111,1112,1106,1107,1108,
 &end
#
#  71 LEU  QQD    73 ILE  QD1     4.27                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=1110,1111,1112,1106,1107,1108,
 igr2=1149,1150,1151,
 &end
#
#  71 LEU  QQD    97 VAL  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=1110,1111,1112,1106,1107,1108,
 &end
#
#  71 LEU  QQD    97 VAL  HB      7.27                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1530, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=1110,1111,1112,1106,1107,1108,
 &end
#
#  71 LEU  QQD    97 VAL  QQG     6.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.61, r4=13.11,
 igr1=1110,1111,1112,1106,1107,1108,
 igr2=1532,1533,1534,1536,1537,1538,
 &end
#
#  71 LEU  QQD    98 GLY  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1542, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=1110,1111,1112,1106,1107,1108,
 &end
#
#  71 LEU  QQD    99 LEU  QQD     8.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.68, r4=15.18,
 igr1=1110,1111,1112,1106,1107,1108,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  72 PHE  HN     73 ILE  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1136, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  72 PHE  HN     97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HN     97 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1530, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HN     97 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1532,1533,1534,1536,1537,1538,
 &end
#
#  72 PHE  HN     98 GLY  HA2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1544, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HN     98 GLY  HA3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1545, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HN     99 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HA     73 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1140, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HB2    73 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1120,1136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  72 PHE  HB3    73 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  72 PHE  QD     73 ILE  HN      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
 igr1=1124,1132,
 &end
#
#  72 PHE  QD     85 ILE  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1124,1132,
 igr2=1329,1330,1331,
 &end
#
#  72 PHE  QD     85 ILE  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1124,1132,
 igr2=1336,1337,1338,
 &end
#
#  72 PHE  QD     89 VAL  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1124,1132,
 &end
#
#  72 PHE  QD     96 LEU  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1124,1132,
 igr2=1516,1517,1518,
 &end
#
#  72 PHE  QD     96 LEU  QD2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1124,1132,
 igr2=1520,1521,1522,
 &end
#
#  72 PHE  QD     99 LEU  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1124,1132,
 &end
#
#  72 PHE  QE     73 ILE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1126,1130,
 &end
#
#  72 PHE  QE     85 ILE  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1126,1130,
 igr2=1329,1330,1331,
 &end
#
#  73 ILE  HN     73 ILE  HG12    6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1146, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  73 ILE  HN     73 ILE  HG13    6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1147, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  73 ILE  HN     73 ILE  QG1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1146,1147,
 &end
#
#  73 ILE  HN     73 ILE  QD1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2=1149,1150,1151,
 &end
#
#  73 ILE  HA     99 LEU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1549, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  73 ILE  HA     99 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1558,1559,1560,
 &end
#
#  73 ILE  HA     99 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1562,1563,1564,
 &end
#
#  73 ILE  HB     73 ILE  QD1     3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=1149,1150,1151,
 &end
#
#  73 ILE  HB    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1140,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
#  73 ILE  QG2    73 ILE  QD1     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1142,1143,1144,
 igr2=1149,1150,1151,
 &end
#
#  73 ILE  QG2    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1142,1143,1144,
 &end
#
#  73 ILE  QG2    99 LEU  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1553, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1142,1143,1144,
 &end
#
#  73 ILE  QG2    99 LEU  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1142,1143,1144,
 &end
#
#  73 ILE  QG2    99 LEU  QQD     9.27                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.01, r4=15.51,
 igr1=1142,1143,1144,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  73 ILE  QG2   106 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
 igr1=1142,1143,1144,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#  73 ILE  QG2   109 VAL  QG1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1142,1143,1144,
 igr2=1708,1709,1710,
 &end
#
#  73 ILE  QG2   109 VAL  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1142,1143,1144,
 igr2=1712,1713,1714,
 &end
#
#  73 ILE  QG2   110 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1720, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1142,1143,1144,
 &end
#
#  73 ILE  QG1    99 LEU  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1146,1147,
 &end
#
#  73 ILE  QG1    99 LEU  QQD    10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1=1146,1147,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  73 ILE  QD1    74 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1149,1150,1151,
 &end
#
#  73 ILE  QD1    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1149,1150,1151,
 &end
#
#  73 ILE  QD1    99 LEU  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1553, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1149,1150,1151,
 &end
#
#  73 ILE  QD1    99 LEU  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1149,1150,1151,
 &end
#
#  73 ILE  QD1    99 LEU  QD1     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
 igr1=1149,1150,1151,
 igr2=1558,1559,1560,
 &end
#
#  73 ILE  QD1    99 LEU  QD2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
 igr1=1149,1150,1151,
 igr2=1562,1563,1564,
 &end
#
#  73 ILE  QD1    99 LEU  QQD     4.96                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
 igr1=1149,1150,1151,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  73 ILE  QD1   109 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1149,1150,1151,
 &end
#
#  73 ILE  QD1   109 VAL  QG1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1149,1150,1151,
 igr2=1708,1709,1710,
 &end
#
#  73 ILE  QD1   109 VAL  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1149,1150,1151,
 igr2=1712,1713,1714,
 &end
#
#  74 SER  HN    100 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1574,1575,1576,
 &end
#
#  74 SER  HA     76 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1185, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  74 SER  QB     76 ASP- HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1159,1160,
 &end
#
#  74 SER  QB     85 ILE  QG1     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1=1159,1160,
 igr2=1333,1334,
 &end
#
#  74 SER  QB     85 ILE  QD1     8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1=1159,1160,
 igr2=1336,1337,1338,
 &end
#
#  75 ILE  HN     75 ILE  HG12    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1176, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  75 ILE  HN     75 ILE  HG13    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1177, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  75 ILE  HN     75 ILE  QD1     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1179,1180,1181,
 &end
#
#  75 ILE  HN     76 ASP- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1187, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  75 ILE  HA    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#  75 ILE  QG2   106 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
 igr1=1172,1173,1174,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#  75 ILE  QG2   109 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1172,1173,1174,
 &end
#
#  75 ILE  QD1    76 ASP- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1187, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1179,1180,1181,
 &end
#
#  75 ILE  QD1   115 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
 igr1=1179,1180,1181,
 igr2=1813,1814,1815,1817,1818,1819,
 &end
#
#  75 ILE  QD1   130 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
 igr1=1179,1180,1181,
 igr2=2045,2046,2047,2049,2050,2051,
 &end
#
#  76 ASP- HN     78 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1211, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  76 ASP- HA     78 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1211, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  76 ASP- HA    130 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1187,2043, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  77 PRO  HA     79 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1226, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  77 PRO  HA     80 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1250, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  77 PRO  HA    101 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  77 PRO  HA    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1207,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#  77 PRO  HB2   101 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1204,1582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  77 PRO  HB3   101 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  77 PRO  QB    102 THR  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1591, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1204,1205,
 &end
#
#  77 PRO  QG    101 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1201,1202,
 &end
#
#  77 PRO  QG    106 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
 igr1=1201,1202,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#  77 PRO  HD2   106 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1663,1664,1665,
 &end
#
#  77 PRO  HD2   106 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1667,1668,1669,
 &end
#
#  77 PRO  HD3   106 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1199,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1663,1664,1665,
 &end
#
#  77 PRO  HD3   106 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1199,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1667,1668,1669,
 &end
#
#  77 PRO  QD    106 VAL  QQG     9.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.80, r4=14.30,
 igr1=1198,1199,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#  78 GLU- HN     78 GLU- HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1218, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  78 GLU- HN     78 GLU- HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1219, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  78 GLU- HN     78 GLU- QG      5.75                
 &rst
  ixpk= 0, nxpk= 0, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=1218,1219,
 &end
#
#  78 GLU- HN     79 ARG+ HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1226, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  78 GLU- HA     80 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1250, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  78 GLU- HB2    79 ARG+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1215,1226, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  78 GLU- HB3    79 ARG+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1226, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  78 GLU- HG2    79 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1226, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  78 GLU- HG3    79 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1226, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  78 GLU- QG     79 ARG+ HN      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=1218,1219,
 &end
#
#  79 ARG+ HN     79 ARG+ HG2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1226,1233, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  79 ARG+ HN     79 ARG+ HG3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1226,1234, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  79 ARG+ HN     79 ARG+ QG      5.75                
 &rst
  ixpk= 0, nxpk= 0, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=1233,1234,
 &end
#
#  79 ARG+ HN     79 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1236,1237,
 &end
#
#  79 ARG+ HN     80 ASP- HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1226,1250, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  79 ARG+ HG2    80 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1233,1250, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  79 ARG+ HG3    80 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1250, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  79 ARG+ QD     80 ASP- HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1236,1237,
 &end
#
#  80 ASP- HN     81 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1262, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  80 ASP- HA     82 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1276, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  80 ASP- HA     84 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1252,1313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  80 ASP- HA     84 ALA  QB      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1252,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1317,1318,1319,
 &end
#
#  80 ASP- QB     85 ILE  QG1     8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1=1254,1255,
 igr2=1333,1334,
 &end
#
#  80 ASP- QB     85 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=1254,1255,
 igr2=1336,1337,1338,
 &end
#
#  81 THR  HN     82 LYS+ HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1276, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  81 THR  HN     84 ALA  QB      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1317,1318,1319,
 &end
#
#  81 THR  HA     82 LYS+ HB2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1280, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  81 THR  HA     82 LYS+ HB3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1281, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  81 THR  HA     82 LYS+ QB      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1280,1281,
 &end
#
#  81 THR  HA     83 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  81 THR  HA     84 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  81 THR  HB     82 LYS+ HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1266,1276, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  81 THR  HB     83 GLU- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1266,1298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81 THR  QG2    82 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1268,1269,1270,
 &end
#
#  81 THR  QG2    83 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1268,1269,1270,
 &end
#
#  81 THR  QG2    84 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1268,1269,1270,
 &end
#
#  82 LYS+ HN     82 LYS+ QG      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2=1283,1284,
 &end
#
#  82 LYS+ HN     82 LYS+ HD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  82 LYS+ HN     82 LYS+ HD3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  82 LYS+ HN     82 LYS+ QD      5.04                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1286,1287,
 &end
#
#  82 LYS+ HN     83 GLU- HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  82 LYS+ HA     82 LYS+ HD2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1286, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  82 LYS+ HA     82 LYS+ HD3     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1287, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  82 LYS+ HA     82 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1289,1290,
 &end
#
#  82 LYS+ HA     84 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  82 LYS+ HA     85 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  82 LYS+ HA     85 ILE  QG1     6.28                
 &rst
  ixpk= 0, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=1333,1334,
 &end
#
#  82 LYS+ HA     85 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1336,1337,1338,
 &end
#
#  82 LYS+ HB2    82 LYS+ QE      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1289,1290,
 &end
#
#  82 LYS+ HB3    82 LYS+ QE      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1289,1290,
 &end
#
#  82 LYS+ QB     82 LYS+ QE      7.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1=1280,1281,
 igr2=1289,1290,
 &end
#
#  82 LYS+ QB     83 GLU- HN      4.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1280,1281,
 &end
#
#  82 LYS+ HG2    83 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1283,1298, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  82 LYS+ HG3    83 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1284,1298, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  82 LYS+ HD2    83 GLU- HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1286,1298, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  82 LYS+ HD3    83 GLU- HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1298, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  82 LYS+ QD     83 GLU- HN      5.23                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1286,1287,
 &end
#
#  82 LYS+ QE     83 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1289,1290,
 &end
#
#  83 GLU- HN     83 GLU- HB2     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1302, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  83 GLU- HN     83 GLU- HB3     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1303, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  83 GLU- HN     83 GLU- QB      3.46                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1302,1303,
 &end
#
#  83 GLU- HN     83 GLU- HG2     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1305, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  83 GLU- HN     83 GLU- HG3     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1306, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  83 GLU- HN     83 GLU- QG      4.67                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1305,1306,
 &end
#
#  83 GLU- HN     84 ALA  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1313, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  83 GLU- HN     84 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1317,1318,1319,
 &end
#
#  83 GLU- HN     86 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1346,1347,1348,
 &end
#
#  83 GLU- HA     85 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1323, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  83 GLU- HA     86 ALA  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1342, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  83 GLU- HA     86 ALA  QB      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1346,1347,1348,
 &end
#
#  83 GLU- HA     87 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1352, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  83 GLU- HB2    84 ALA  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1302,1313, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  83 GLU- HB3    84 ALA  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1303,1313, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  83 GLU- HG2    84 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1305,1313, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  83 GLU- HG3    84 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1306,1313, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  83 GLU- QG     84 ALA  HN      5.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1305,1306,
 &end
#
#  84 ALA  HN     84 ALA  QB      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1317,1318,1319,
 &end
#
#  84 ALA  HN     85 ILE  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 ALA  HN     85 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1329,1330,1331,
 &end
#
#  84 ALA  HN     85 ILE  QG1     7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1333,1334,
 &end
#
#  84 ALA  HN     86 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1342, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  84 ALA  HN     86 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1346,1347,1348,
 &end
#
#  84 ALA  HA     86 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1315,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  84 ALA  HA     87 ASN  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1315,1352, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  84 ALA  HA     87 ASN  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1315,1356, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  84 ALA  HA     87 ASN  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1315,1357, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  84 ALA  QB     85 ILE  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1317,1318,1319,
 &end
#
#  84 ALA  QB     85 ILE  HA      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr1=1317,1318,1319,
 &end
#
#  84 ALA  QB     87 ASN  QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1=1317,1318,1319,
 igr2=1356,1357,
 &end
#
#  84 ALA  QB     87 ASN  QD2     8.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.42, r4=11.92,
 igr1=1317,1318,1319,
 igr2=1361,1362,
 &end
#
#  85 ILE  HN     85 ILE  HG12    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1333, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  85 ILE  HN     85 ILE  HG13    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1334, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  85 ILE  HN     85 ILE  QG1     6.06                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2=1333,1334,
 &end
#
#  85 ILE  HN     85 ILE  QD1     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2=1336,1337,1338,
 &end
#
#  85 ILE  HN     86 ALA  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1342, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  85 ILE  HN     86 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1346,1347,1348,
 &end
#
#  85 ILE  HN     87 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1352, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  85 ILE  HA     87 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1352, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  85 ILE  HA     88 TYR  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1366, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  85 ILE  HA     88 TYR  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1370,1371,
 &end
#
#  85 ILE  HB     86 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  85 ILE  HB     87 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1352, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  85 ILE  QG2    86 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1342, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1329,1330,1331,
 &end
#
#  85 ILE  QG2    86 ALA  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1329,1330,1331,
 igr2=1346,1347,1348,
 &end
#
#  85 ILE  QG2    88 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1329,1330,1331,
 &end
#
#  85 ILE  QG2    89 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1329,1330,1331,
 &end
#
#  85 ILE  QG2    97 VAL  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1329,1330,1331,
 &end
#
#  85 ILE  QG2    98 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1329,1330,1331,
 &end
#
#  85 ILE  QG2    98 GLY  HA2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1329,1330,1331,
 &end
#
#  85 ILE  QG2    98 GLY  HA3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1545, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1329,1330,1331,
 &end
#
#  85 ILE  QG2    99 LEU  HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr1=1329,1330,1331,
 &end
#
#  85 ILE  QG1    86 ALA  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1342, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1333,1334,
 &end
#
#  85 ILE  QD1    86 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1342, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1336,1337,1338,
 &end
#
#  85 ILE  QD1    87 ASN  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1336,1337,1338,
 &end
#
#  85 ILE  QD1    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1336,1337,1338,
 &end
#
#  85 ILE  QD1   100 THR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1336,1337,1338,
 &end
#
#  85 ILE  QD1   100 THR  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1336,1337,1338,
 &end
#
#  85 ILE  QD1   100 THR  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1336,1337,1338,
 igr2=1574,1575,1576,
 &end
#
#  86 ALA  HN     87 ASN  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,1352, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  86 ALA  HN     89 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1393,1394,1395,1397,1398,1399,
 &end
#
#  86 ALA  HA     88 TYR  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1366, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  86 ALA  HA     89 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1387, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  86 ALA  HA     89 VAL  HB      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1391, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  86 ALA  HA     89 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1393,1394,1395,
 &end
#
#  86 ALA  HA     89 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1397,1398,1399,
 &end
#
#  86 ALA  HA     89 VAL  QQG     7.04                
 &rst
  ixpk= 0, nxpk= 0, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 9.49, r4= 9.99,
 igr2=1393,1394,1395,1397,1398,1399,
 &end
#
#  86 ALA  QB     87 ASN  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1346,1347,1348,
 &end
#
#  86 ALA  QB     87 ASN  HA      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1346,1347,1348,
 &end
#
#  86 ALA  QB     89 VAL  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1346,1347,1348,
 &end
#
#  86 ALA  QB     89 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
 igr1=1346,1347,1348,
 igr2=1393,1394,1395,1397,1398,1399,
 &end
#
#  87 ASN  HN     87 ASN  HB2     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1356, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  87 ASN  HN     87 ASN  HB3     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1357, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  87 ASN  HN     87 ASN  QB      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1356,1357,
 &end
#
#  87 ASN  HN     87 ASN  HD21    5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  87 ASN  HN     87 ASN  HD22    5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  87 ASN  HN     87 ASN  QD2     5.14                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2=1361,1362,
 &end
#
#  87 ASN  HN     89 VAL  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1387, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  87 ASN  HN     89 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1393,1394,1395,1397,1398,1399,
 &end
#
#  87 ASN  HN     90 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1403, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  87 ASN  HA     87 ASN  HD21    5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1361, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  87 ASN  HA     87 ASN  HD22    5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1362, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  87 ASN  HA     90 LYS+ HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1403, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  87 ASN  HA     90 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1354,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1416,1417,
 &end
#
#  87 ASN  HB2    88 TYR  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1366, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  87 ASN  HB2    90 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1403, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  87 ASN  HB2    90 LYS+ QG      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1356,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1410,1411,
 &end
#
#  87 ASN  HB3    88 TYR  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1357,1366, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  87 ASN  HB3    90 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1357,1403, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  87 ASN  HB3    90 LYS+ QG      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1357,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1410,1411,
 &end
#
#  87 ASN  QB     88 TYR  HN      3.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1=1356,1357,
 &end
#
#  87 ASN  QB     90 LYS+ QG      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.95, r4= 9.45,
 igr1=1356,1357,
 igr2=1410,1411,
 &end
#
#  88 TYR  HN     89 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1387, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  88 TYR  HN     89 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1366,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1393,1394,1395,
 &end
#
#  88 TYR  HN     89 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1366,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1397,1398,1399,
 &end
#
#  88 TYR  HN     90 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1403, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  88 TYR  HN     91 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1425, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  88 TYR  HA     91 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1425, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  88 TYR  HB2    89 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1370,1387, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  88 TYR  HB3    89 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1371,1387, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  88 TYR  QD     89 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1=1374,1383,
 igr2=1393,1394,1395,1397,1398,1399,
 &end
#
#  89 VAL  HN     90 LYS+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,1403, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  89 VAL  HN     90 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1410,1411,
 &end
#
#  89 VAL  HN     90 LYS+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1413,1414,
 &end
#
#  89 VAL  HN     91 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,1425, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  89 VAL  HN     92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1456,
 &end
#
#  89 VAL  HN     96 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1520,1521,1522,1516,1517,1518,
 &end
#
#  89 VAL  HA     92 PHE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1389,1440, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  89 VAL  HA     96 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1389,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1520,1521,1522,1516,1517,1518,
 &end
#
#  89 VAL  QG1    90 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1393,1394,1395,
 &end
#
#  89 VAL  QG1    90 LYS+ HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1405, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1393,1394,1395,
 &end
#
#  89 VAL  QG1    98 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1393,1394,1395,
 &end
#
#  89 VAL  QG2    90 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1397,1398,1399,
 &end
#
#  89 VAL  QG2    90 LYS+ HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1405, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1397,1398,1399,
 &end
#
#  89 VAL  QG2    98 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1397,1398,1399,
 &end
#
#  89 VAL  QQG    90 LYS+ HN      6.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
 igr1=1393,1394,1395,1397,1398,1399,
 &end
#
#  89 VAL  QQG    91 GLU- HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1425, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1393,1394,1395,1397,1398,1399,
 &end
#
#  89 VAL  QQG    92 PHE  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1440, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1393,1394,1395,1397,1398,1399,
 &end
#
#  89 VAL  QQG    93 SER  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1393,1394,1395,1397,1398,1399,
 &end
#
#  89 VAL  QQG    97 VAL  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1393,1394,1395,1397,1398,1399,
 &end
#
#  89 VAL  QQG    97 VAL  HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1528, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1393,1394,1395,1397,1398,1399,
 &end
#
#  90 LYS+ HN     90 LYS+ QG      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=1410,1411,
 &end
#
#  90 LYS+ HN     90 LYS+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1413,1414,
 &end
#
#  90 LYS+ HN     91 GLU- HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1425, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  90 LYS+ HN     91 GLU- HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1432, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  90 LYS+ HN     91 GLU- HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1433, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  90 LYS+ HN     91 GLU- QG      6.25                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr2=1432,1433,
 &end
#
#  90 LYS+ HN     92 PHE  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1440, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  90 LYS+ HA     90 LYS+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1405,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1413,1414,
 &end
#
#  90 LYS+ HA     93 SER  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1405,1460, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  90 LYS+ QB     90 LYS+ QE      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
 igr1=1407,1408,
 igr2=1416,1417,
 &end
#
#  90 LYS+ QB     91 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1425, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1407,1408,
 &end
#
#  90 LYS+ QG     91 GLU- HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1425, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=1410,1411,
 &end
#
#  90 LYS+ QG     93 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1410,1411,
 &end
#
#  90 LYS+ QD     91 GLU- HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1425, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1413,1414,
 &end
#
#  90 LYS+ QD     93 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1413,1414,
 &end
#
#  91 GLU- HN     91 GLU- HB2     3.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,1429, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  91 GLU- HN     91 GLU- HB3     3.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,1430, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  91 GLU- HN     91 GLU- QB      2.69                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
 igr2=1429,1430,
 &end
#
#  91 GLU- HN     91 GLU- HG2     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,1432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  91 GLU- HN     91 GLU- HG3     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,1433, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  91 GLU- HN     91 GLU- QG      4.26                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1432,1433,
 &end
#
#  91 GLU- HN     92 PHE  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,1440, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  91 GLU- HN     92 PHE  QD      7.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
 igr2=1448,1456,
 &end
#
#  91 GLU- HN     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1450,1454,
 &end
#
#  91 GLU- HA     92 PHE  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1427,1442, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  91 GLU- HA     92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1427,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1456,
 &end
#
#  91 GLU- HA     93 SER  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1427,1460, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  91 GLU- HB2    92 PHE  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1429,1440, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  91 GLU- HB3    92 PHE  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1440, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  91 GLU- HG2    92 PHE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1440, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  91 GLU- HG3    92 PHE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1440, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  91 GLU- QG     92 PHE  HN      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1432,1433,
 &end
#
#  92 PHE  HN     92 PHE  QE      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1450,1454,
 &end
#
#  92 PHE  HN     92 PHE  HZ      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1440,1452, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  92 PHE  HN     96 LEU  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1511,1512,
 &end
#
#  92 PHE  HN     96 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1440,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1520,1521,1522,1516,1517,1518,
 &end
#
#  92 PHE  HA     92 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1442,1452, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  92 PHE  HB2    93 SER  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1444,1460, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  92 PHE  HB2    96 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=1444,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1516,1517,1518,
 &end
#
#  92 PHE  HB2    96 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=1444,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1520,1521,1522,
 &end
#
#  92 PHE  HB3    93 SER  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1445,1460, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  92 PHE  HB3    96 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=1445,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1516,1517,1518,
 &end
#
#  92 PHE  HB3    96 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=1445,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1520,1521,1522,
 &end
#
#  92 PHE  QB     96 LEU  QQD     9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1=1444,1445,
 igr2=1520,1521,1522,1516,1517,1518,
 &end
#
#  92 PHE  QD     93 SER  HN      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
 igr1=1448,1456,
 &end
#
#  92 PHE  QE     93 SER  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1450,1454,
 &end
#
#  93 SER  HN     94 PRO  QB      7.12                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr2=1478,1479,
 &end
#
#  93 SER  HN     95 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1485, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  93 SER  HN     96 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1507, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  93 SER  HN     96 LEU  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1511, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  93 SER  HN     96 LEU  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1512, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  93 SER  HN     96 LEU  QB      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2=1511,1512,
 &end
#
#  93 SER  HN     96 LEU  QQD     8.87                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46,
 igr2=1520,1521,1522,1516,1517,1518,
 &end
#
#  93 SER  HA     94 PRO  QB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=1478,1479,
 &end
#
#  93 SER  HA     95 LYS+ HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1462,1485, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  93 SER  HA     96 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1462,1507, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  93 SER  QB     95 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1485, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1464,1465,
 &end
#
#  93 SER  QB     96 LEU  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1464,1465,
 &end
#
#  93 SER  QB     96 LEU  QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1=1464,1465,
 igr2=1511,1512,
 &end
#
#  94 PRO  HA     96 LEU  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1481,1507, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  95 LYS+ HN     95 LYS+ QG      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1492,1493,
 &end
#
#  95 LYS+ HN     95 LYS+ QD      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1495,1496,
 &end
#
#  95 LYS+ HN     96 LEU  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1507, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  95 LYS+ HN     96 LEU  QB      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2=1511,1512,
 &end
#
#  95 LYS+ QG     96 LEU  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1492,1493,
 &end
#
#  95 LYS+ QD     96 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1495,1496,
 &end
#
#  96 LEU  HN     96 LEU  HG      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1507,1514, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  96 LEU  HN     96 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1516,1517,1518,
 &end
#
#  96 LEU  HN     96 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1520,1521,1522,
 &end
#
#  96 LEU  HN     96 LEU  QQD     6.28                
 &rst
  ixpk= 0, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr2=1520,1521,1522,1516,1517,1518,
 &end
#
#  96 LEU  HN     97 VAL  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1507,1526, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  96 LEU  HB2    97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1511,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  96 LEU  HB3    97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1512,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  96 LEU  QB     97 VAL  HN      6.01                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1=1511,1512,
 &end
#
#  96 LEU  QD1    97 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1516,1517,1518,
 &end
#
#  96 LEU  QD2    97 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1520,1521,1522,
 &end
#
#  96 LEU  QQD    97 VAL  HN      7.23                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1=1520,1521,1522,1516,1517,1518,
 &end
#
#  97 VAL  HN     98 GLY  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1526,1542, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  97 VAL  HB     98 GLY  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1530,1542, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  97 VAL  HB     99 LEU  QQD     7.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1530,  -1, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  97 VAL  QQG    98 GLY  HN      8.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1542, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
 igr1=1532,1533,1534,1536,1537,1538,
 &end
#
#  98 GLY  HN     99 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1542,1549, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  98 GLY  QA     99 LEU  QQD    10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1=1544,1545,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  99 LEU  HN     99 LEU  HG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1549,1556, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  99 LEU  HN     99 LEU  QD1     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1549,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1558,1559,1560,
 &end
#
#  99 LEU  HN     99 LEU  QD2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1549,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1562,1563,1564,
 &end
#
#  99 LEU  HN     99 LEU  QQD     5.91                
 &rst
  ixpk= 0, nxpk= 0, iat=1549,  -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr2=1562,1563,1564,1558,1559,1560,
 &end
#
#  99 LEU  HN    100 THR  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1549,1568, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  99 LEU  HA     99 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1551,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1558,1559,1560,
 &end
#
#  99 LEU  HA     99 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1551,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1562,1563,1564,
 &end
#
#  99 LEU  HA    100 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1551,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1574,1575,1576,
 &end
#
#  99 LEU  HB2   100 THR  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1553,1568, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  99 LEU  HB3   100 THR  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1554,1568, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  99 LEU  HG    100 THR  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1556,1568, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  99 LEU  QD1   100 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1558,1559,1560,
 &end
#
#  99 LEU  QD2   100 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1562,1563,1564,
 &end
#
#  99 LEU  QQD   100 THR  HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
 igr1=1562,1563,1564,1558,1559,1560,
 &end
#
# 100 THR  HN    100 THR  HG1     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1578, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 100 THR  HN    101 GLY  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1582, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 100 THR  HA    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1570,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
# 100 THR  HB    101 GLY  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1572,1582, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 100 THR  QG2   101 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1574,1575,1576,
 &end
#
# 100 THR  HG1   101 GLY  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1578,1582, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 101 GLY  HN    102 THR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1582,1589, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 101 GLY  HN    102 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1582,1593, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 101 GLY  HN    102 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1595,1596,1597,
 &end
#
# 101 GLY  HN    105 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1649,1650,
 &end
#
# 101 GLY  HN    106 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1582,1657, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 101 GLY  HN    106 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1663,1664,1665,
 &end
#
# 101 GLY  HN    106 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1667,1668,1669,
 &end
#
# 101 GLY  HN    106 VAL  QQG     7.29                
 &rst
  ixpk= 0, nxpk= 0, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 9.83, r4=10.33,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
# 101 GLY  HA2   105 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1649,1650,
 &end
#
# 101 GLY  HA3   105 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1649,1650,
 &end
#
# 101 GLY  QA    102 THR  QG2     6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
 igr1=1584,1585,
 igr2=1595,1596,1597,
 &end
#
# 102 THR  HN    102 THR  QG2     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1595,1596,1597,
 &end
#
# 102 THR  HN    102 THR  HG1     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1599, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 102 THR  HN    103 ARG+ HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1603, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 102 THR  HN    105 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1642, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 102 THR  HN    105 GLU- HA      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1644, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 102 THR  HN    105 GLU- QG      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2=1649,1650,
 &end
#
# 102 THR  HN    106 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1663,1664,1665,
 &end
#
# 102 THR  HN    106 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1667,1668,1669,
 &end
#
# 102 THR  HN    106 VAL  QQG     7.34                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
# 102 THR  HA    104 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1627, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 102 THR  HA    105 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1642, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 102 THR  HB    103 ARG+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1593,1603, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 102 THR  QG2   103 ARG+ HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1603, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=1595,1596,1597,
 &end
#
# 102 THR  QG2   104 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1595,1596,1597,
 &end
#
# 102 THR  QG2   105 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1642, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1595,1596,1597,
 &end
#
# 102 THR  QG2   105 GLU- QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=1595,1596,1597,
 igr2=1646,1647,
 &end
#
# 102 THR  QG2   105 GLU- QG      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=1595,1596,1597,
 igr2=1649,1650,
 &end
#
# 103 ARG+ HN    103 ARG+ HG2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1610, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 103 ARG+ HN    103 ARG+ HG3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1611, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 103 ARG+ HN    103 ARG+ QG      5.23                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1610,1611,
 &end
#
# 103 ARG+ HN    103 ARG+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1613, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HN    103 ARG+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1614, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HN    104 GLU- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1627, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103 ARG+ HN    105 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1642, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HN    106 VAL  HB      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1661, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 103 ARG+ HN    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
# 103 ARG+ HA    103 ARG+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1605,1613, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HA    103 ARG+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1605,1614, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HA    103 ARG+ QD      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1605,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1613,1614,
 &end
#
# 103 ARG+ HA    106 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1605,1657, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HA    106 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1605,1661, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HA    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1605,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
# 103 ARG+ HA    107 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1605,1673, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ QG    104 GLU- HN      6.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr1=1610,1611,
 &end
#
# 104 GLU- HN    105 GLU- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1627,1642, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 104 GLU- HN    105 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1649,1650,
 &end
#
# 104 GLU- HN    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1627,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
# 104 GLU- HA    107 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1629,1673, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 104 GLU- HA    107 ASP- HB2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1629,1677, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 104 GLU- HA    107 ASP- HB3     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1629,1678, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 104 GLU- HA    107 ASP- QB      6.14                
 &rst
  ixpk= 0, nxpk= 0, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2=1677,1678,
 &end
#
# 105 GLU- HN    105 GLU- QG      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1642,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1649,1650,
 &end
#
# 105 GLU- HN    106 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1642,1657, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 105 GLU- HN    106 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1642,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1663,1664,1665,
 &end
#
# 105 GLU- HN    106 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1642,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1667,1668,1669,
 &end
#
# 105 GLU- HA    107 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1644,1673, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 105 GLU- QB    108 GLN  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1646,1647,
 &end
#
# 105 GLU- QG    106 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1657, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1649,1650,
 &end
#
# 105 GLU- QG    107 ASP- HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1=1649,1650,
 &end
#
# 106 VAL  HA    109 VAL  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1659,1702, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 106 VAL  HA    109 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1659,1706, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 106 VAL  HA    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1659,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
# 106 VAL  HB    107 ASP- HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1661,1673, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 106 VAL  QG1   107 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1663,1664,1665,
 &end
#
# 106 VAL  QG1   108 GLN  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1663,1664,1665,
 &end
#
# 106 VAL  QG2   107 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1667,1668,1669,
 &end
#
# 106 VAL  QG2   108 GLN  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1667,1668,1669,
 &end
#
# 106 VAL  QQG   109 VAL  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1663,1664,1665,1667,1668,1669,
 &end
#
# 106 VAL  QQG   109 VAL  QQG    11.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=21.30, r4=21.80,
 igr1=1663,1664,1665,1667,1668,1669,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
# 106 VAL  QQG   110 ALA  QB     10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
 igr1=1663,1664,1665,1667,1668,1669,
 igr2=1722,1723,1724,
 &end
#
# 107 ASP- HN    108 GLN  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1673,1685, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 107 ASP- HN    109 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1673,1702, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 107 ASP- HA    110 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1718, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 107 ASP- HA    110 ALA  QB      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1675,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1722,1723,1724,
 &end
#
# 107 ASP- HB2   108 GLN  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1677,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 ASP- HB3   108 GLN  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1678,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 108 GLN  HN    108 GLN  HG2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 108 GLN  HN    108 GLN  HG3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 108 GLN  HN    108 GLN  QG      5.33                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1692,1693,
 &end
#
# 108 GLN  HN    108 GLN  HE21    5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1697, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 108 GLN  HN    108 GLN  HE22    5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1698, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 108 GLN  HN    108 GLN  QE2     5.44                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2=1697,1698,
 &end
#
# 108 GLN  HN    109 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1702, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 108 GLN  HN    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
# 108 GLN  HN    110 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1718, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 108 GLN  HN    111 ARG+ HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1728, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 108 GLN  HN    111 ARG+ QD      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1738,1739,
 &end
#
# 108 GLN  HA    108 GLN  QE2     5.27                
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1697,1698,
 &end
#
# 108 GLN  HA    111 ARG+ QD      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1738,1739,
 &end
#
# 108 GLN  HB2   108 GLN  HG2     2.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1692, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 108 GLN  HB2   108 GLN  HG3     2.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1693, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 108 GLN  HB2   108 GLN  HE21    5.53                
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1697, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
# 108 GLN  HB2   108 GLN  HE22    5.53                
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1698, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
# 108 GLN  HB2   109 VAL  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1689,1702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 108 GLN  HB2   109 VAL  QG1    10.32                
 &rst
  ixpk= 0, nxpk= 0, iat=1689,  -1, r1= 1.30, r2= 1.80, r3=12.39, r4=12.89,
 igr2=1708,1709,1710,
 &end
#
# 108 GLN  HB2   109 VAL  QG2    10.32                
 &rst
  ixpk= 0, nxpk= 0, iat=1689,  -1, r1= 1.30, r2= 1.80, r3=12.39, r4=12.89,
 igr2=1712,1713,1714,
 &end
#
# 108 GLN  HB3   108 GLN  HG2     2.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,1692, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 108 GLN  HB3   108 GLN  HG3     2.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,1693, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 108 GLN  HB3   108 GLN  HE21    5.53                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,1697, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
# 108 GLN  HB3   108 GLN  HE22    5.53                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,1698, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
# 108 GLN  HB3   109 VAL  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,1702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 108 GLN  HB3   109 VAL  QG1    10.32                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,  -1, r1= 1.30, r2= 1.80, r3=12.39, r4=12.89,
 igr2=1708,1709,1710,
 &end
#
# 108 GLN  HB3   109 VAL  QG2    10.32                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,  -1, r1= 1.30, r2= 1.80, r3=12.39, r4=12.89,
 igr2=1712,1713,1714,
 &end
#
# 108 GLN  QB    108 GLN  QG      2.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=1689,1690,
 igr2=1692,1693,
 &end
#
# 108 GLN  QB    109 VAL  HN      3.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1=1689,1690,
 &end
#
# 108 GLN  QB    109 VAL  QQG     8.23                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.45, r4=12.95,
 igr1=1689,1690,
 igr2=1708,1709,1710,1712,1713,1714,
 &end
#
# 108 GLN  QB    112 ALA  HN      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1689,1690,
 &end
#
# 108 GLN  HG2   109 VAL  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1692,1702, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 108 GLN  HG2   112 ALA  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1692,1752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 108 GLN  HG3   109 VAL  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1693,1702, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 108 GLN  HG3   112 ALA  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1693,1752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 108 GLN  QE2   109 VAL  HA      7.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
 igr1=1697,1698,
 &end
#
# 108 GLN  QE2   112 ALA  QB      5.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1=1697,1698,
 igr2=1756,1757,1758,
 &end
#
# 109 VAL  HN    109 VAL  HB      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1706, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 109 VAL  HN    110 ALA  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1718, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 109 VAL  HN    111 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1728, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 109 VAL  HA    112 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1704,1752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 109 VAL  HA    112 ALA  QB      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1756,1757,1758,
 &end
#
# 109 VAL  HB    110 ALA  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1706,1718, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 109 VAL  QG1   110 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1708,1709,1710,
 &end
#
# 109 VAL  QG2   110 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1712,1713,1714,
 &end
#
# 109 VAL  QQG   113 TYR  QD     11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1=1708,1709,1710,1712,1713,1714,
 igr2=1770,1779,
 &end
#
# 109 VAL  QQG   113 TYR  QE     10.96                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.58, r4=17.08,
 igr1=1708,1709,1710,1712,1713,1714,
 igr2=1772,1777,
 &end
#
# 110 ALA  HN    110 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=1722,1723,1724,
 &end
#
# 110 ALA  HN    111 ARG+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1728, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 ALA  HN    111 ARG+ HB2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1732, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 110 ALA  HN    111 ARG+ HB3     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1733, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 110 ALA  HN    111 ARG+ QB      5.78                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1732,1733,
 &end
#
# 110 ALA  HN    112 ALA  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1752, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 110 ALA  HN    112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1756,1757,1758,
 &end
#
# 110 ALA  HA    112 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1720,1752, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 110 ALA  HA    113 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1720,1762, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 110 ALA  HA    113 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1720,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1770,1779,
 &end
#
# 110 ALA  HA    115 VAL  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1720,1807, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 110 ALA  HA    115 VAL  HB      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1720,1811, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 110 ALA  HA    115 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1720,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1813,1814,1815,
 &end
#
# 110 ALA  HA    115 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1720,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1817,1818,1819,
 &end
#
# 110 ALA  QB    111 ARG+ HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1728, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1722,1723,1724,
 &end
#
# 110 ALA  QB    115 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
 igr1=1722,1723,1724,
 igr2=1813,1814,1815,1817,1818,1819,
 &end
#
# 110 ALA  QB    117 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1722,1723,1724,
 igr2=1852,1861,
 &end
#
# 111 ARG+ HN    111 ARG+ QG      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1728,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1735,1736,
 &end
#
# 111 ARG+ HN    111 ARG+ QD      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1728,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1738,1739,
 &end
#
# 111 ARG+ HN    112 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1728,1752, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 111 ARG+ HA    111 ARG+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1738, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 111 ARG+ HA    111 ARG+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1739, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 111 ARG+ HB2   112 ALA  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1732,1752, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 111 ARG+ HB3   112 ALA  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1733,1752, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 111 ARG+ QG    112 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1735,1736,
 &end
#
# 111 ARG+ HD2   112 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1738,1752, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 111 ARG+ HD3   112 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1752, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 112 ALA  HN    112 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=1756,1757,1758,
 &end
#
# 112 ALA  HN    113 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1770,1779,
 &end
#
# 112 ALA  HN    114 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1752,1783, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 112 ALA  QB    113 TYR  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1762, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1756,1757,1758,
 &end
#
# 112 ALA  QB    113 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1756,1757,1758,
 igr2=1770,1779,
 &end
#
# 112 ALA  QB    114 ARG+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1783, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1756,1757,1758,
 &end
#
# 113 TYR  HN    113 TYR  QE      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1762,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1772,1777,
 &end
#
# 113 TYR  HN    114 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1762,1783, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 113 TYR  HN    115 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1762,1807, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 113 TYR  HN    115 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1762,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1813,1814,1815,
 &end
#
# 113 TYR  HN    115 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1762,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1817,1818,1819,
 &end
#
# 114 ARG+ HN    114 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1783,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1793,1794,
 &end
#
# 114 ARG+ HN    115 VAL  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1783,1807, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 114 ARG+ HN    115 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1783,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1813,1814,1815,1817,1818,1819,
 &end
#
# 114 ARG+ HA    114 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1785,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1793,1794,
 &end
#
# 114 ARG+ HA    115 VAL  HN      2.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1785,1807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 115 VAL  HA    133 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1809,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2090,2091,2092,
 &end
#
# 115 VAL  QG1   117 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1813,1814,1815,
 igr2=1852,1861,
 &end
#
# 115 VAL  QG1   133 THR  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1813,1814,1815,
 igr2=2090,2091,2092,
 &end
#
# 115 VAL  QG2   117 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1817,1818,1819,
 igr2=1852,1861,
 &end
#
# 115 VAL  QG2   133 THR  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1817,1818,1819,
 igr2=2090,2091,2092,
 &end
#
# 115 VAL  QQG   117 TYR  QE     11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1=1813,1814,1815,1817,1818,1819,
 igr2=1854,1859,
 &end
#
# 115 VAL  QQG   132 HIS  QB     10.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69,
 igr1=1813,1814,1815,1817,1818,1819,
 igr2=2071,2072,
 &end
#
# 116 TYR  QD    133 THR  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1831,1840,
 igr2=2090,2091,2092,
 &end
#
# 116 TYR  QE    133 THR  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1833,1838,
 igr2=2090,2091,2092,
 &end
#
# 118 SER  HB2   131 ASP- HB2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1869,2059, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
# 118 SER  HB2   131 ASP- HB3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1869,2060, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
# 118 SER  HB3   131 ASP- HB2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1870,2059, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
# 118 SER  HB3   131 ASP- HB3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1870,2060, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
# 118 SER  QB    131 ASP- QB      7.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85,
 igr1=1869,1870,
 igr2=2059,2060,
 &end
#
# 119 PRO  HB2   130 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1883,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=2045,2046,2047,
 &end
#
# 119 PRO  HB2   130 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1883,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=2049,2050,2051,
 &end
#
# 119 PRO  HB3   130 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1884,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=2045,2046,2047,
 &end
#
# 119 PRO  HB3   130 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1884,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=2049,2050,2051,
 &end
#
# 119 PRO  QB    130 VAL  QQG     9.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.80, r4=14.30,
 igr1=1883,1884,
 igr2=2045,2046,2047,2049,2050,2051,
 &end
#
# 121 PRO  HA    122 LYS+ QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1907,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1918,1919,
 &end
#
# 122 LYS+ HA    122 LYS+ QD      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1913,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=1921,1922,
 &end
#
# 122 LYS+ HA    122 LYS+ HE2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1913,1924, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 122 LYS+ HA    122 LYS+ HE3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1913,1925, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 122 LYS+ HA    122 LYS+ QE      5.75                
 &rst
  ixpk= 0, nxpk= 0, iat=1913,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=1924,1925,
 &end
#
# 122 LYS+ QB    122 LYS+ HE2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1915,1916,
 &end
#
# 122 LYS+ QB    122 LYS+ HE3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1915,1916,
 &end
#
# 122 LYS+ QB    122 LYS+ QE      7.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1915,1916,
 igr2=1924,1925,
 &end
#
# 122 LYS+ QG    128 TYR  QD      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=1918,1919,
 igr2=2007,2016,
 &end
#
# 122 LYS+ QD    126 GLU- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1974, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1921,1922,
 &end
#
# 122 LYS+ QE    128 TYR  QD      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=1924,1925,
 igr2=2007,2016,
 &end
#
# 122 LYS+ QE    128 TYR  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=1924,1925,
 igr2=2009,2014,
 &end
#
# 126 GLU- QB    126 GLU- QG      2.37                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
 igr1=1976,1977,
 igr2=1979,1980,
 &end
#
# 127 ASP- HA    128 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1989,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2016,
 &end
#
# 128 TYR  QD    130 VAL  QQG    11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1=2007,2016,
 igr2=2045,2046,2047,2049,2050,2051,
 &end
#
# 135 ILE  QG2   137 TYR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2155, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2123,2124,2125,
 &end
#
# 135 ILE  QG2   148 TYR  QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1=2123,2124,2125,
 igr2=2322,2323,
 &end
#
# 135 ILE  QG2   149 PHE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2339, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2123,2124,2125,
 &end
#
# 136 MET  HB2   136 MET  QE      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2140,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2=2147,2148,2149,
 &end
#
# 136 MET  HB2   137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2140,2153, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HB3   136 MET  QE      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2141,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2=2147,2148,2149,
 &end
#
# 136 MET  HB3   137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2141,2153, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HG2   137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2143,2153, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HG2   149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2143,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2349,2353,
 &end
#
# 136 MET  HG3   137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2144,2153, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HG3   149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2144,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2349,2353,
 &end
#
# 136 MET  QE    149 PHE  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2147,2148,2149,
 igr2=2347,2355,
 &end
#
# 136 MET  QE    149 PHE  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2147,2148,2149,
 igr2=2349,2353,
 &end
#
# 136 MET  QE    149 PHE  HZ      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2351, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2147,2148,2149,
 &end
#
# 137 TYR  HN    137 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2163,2168,
 &end
#
# 137 TYR  HN    138 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2174, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 137 TYR  HA    148 TYR  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2155,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2322,2323,
 &end
#
# 137 TYR  HA    149 PHE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2155,2339, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 137 TYR  HA    149 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2155,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2355,
 &end
#
# 137 TYR  HB2   138 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2157,2174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 137 TYR  HB2   139 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2157,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2206,2207,2208,
 &end
#
# 137 TYR  HB3   138 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2158,2174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 137 TYR  HB3   139 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2158,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2206,2207,2208,
 &end
#
# 137 TYR  QD    138 LEU  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2174, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2161,2170,
 &end
#
# 137 TYR  QD    148 TYR  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2320, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2161,2170,
 &end
#
# 137 TYR  QE    149 PHE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2339, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2163,2168,
 &end
#
# 138 LEU  HN    138 LEU  QD1     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=2183,2184,2185,
 &end
#
# 138 LEU  HN    138 LEU  QD2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=2187,2188,2189,
 &end
#
# 138 LEU  HN    138 LEU  QQD     6.05                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr2=2187,2188,2189,2183,2184,2185,
 &end
#
# 138 LEU  HN    139 ILE  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2193, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 138 LEU  HN    146 LEU  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2291,2292,
 &end
#
# 138 LEU  HN    147 ASP- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2306, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 138 LEU  HN    148 TYR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2320, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HN    148 TYR  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2322, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HN    148 TYR  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2323, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HA    138 LEU  QD1     6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2=2183,2184,2185,
 &end
#
# 138 LEU  HA    138 LEU  QD2     6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2=2187,2188,2189,
 &end
#
# 138 LEU  HA    139 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2206,2207,2208,
 &end
#
# 138 LEU  HA    146 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2300,2301,2302,2296,2297,2298,
 &end
#
# 138 LEU  HB2   146 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2178,2287, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HB2   147 ASP- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2178,2306, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 138 LEU  HB3   146 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2179,2287, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HB3   147 ASP- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2179,2306, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 138 LEU  QB    147 ASP- HN      5.84                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=2178,2179,
 &end
#
# 138 LEU  QB    149 PHE  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=2178,2179,
 igr2=2349,2353,
 &end
#
# 138 LEU  QB    162 ILE  QD1     8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1=2178,2179,
 igr2=2550,2551,2552,
 &end
#
# 138 LEU  QD1   139 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2183,2184,2185,
 &end
#
# 138 LEU  QD1   147 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2183,2184,2185,
 &end
#
# 138 LEU  QD1   147 ASP- HB2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2310, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=2183,2184,2185,
 &end
#
# 138 LEU  QD1   147 ASP- HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2311, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=2183,2184,2185,
 &end
#
# 138 LEU  QD1   162 ILE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2539, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2183,2184,2185,
 &end
#
# 138 LEU  QD2   139 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2187,2188,2189,
 &end
#
# 138 LEU  QD2   147 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2187,2188,2189,
 &end
#
# 138 LEU  QD2   147 ASP- HB2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2310, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=2187,2188,2189,
 &end
#
# 138 LEU  QD2   147 ASP- HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2311, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=2187,2188,2189,
 &end
#
# 138 LEU  QD2   162 ILE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2539, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2187,2188,2189,
 &end
#
# 138 LEU  QQD   139 ILE  HN      7.09                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1=2187,2188,2189,2183,2184,2185,
 &end
#
# 138 LEU  QQD   146 LEU  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2287, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=2187,2188,2189,2183,2184,2185,
 &end
#
# 138 LEU  QQD   146 LEU  QQD     8.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.79, r4=15.29,
 igr1=2187,2188,2189,2183,2184,2185,
 igr2=2300,2301,2302,2296,2297,2298,
 &end
#
# 138 LEU  QQD   147 ASP- HN      7.09                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1=2187,2188,2189,2183,2184,2185,
 &end
#
# 138 LEU  QQD   147 ASP- QB      9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1=2187,2188,2189,2183,2184,2185,
 igr2=2310,2311,
 &end
#
# 138 LEU  QQD   149 PHE  QE     11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1=2187,2188,2189,2183,2184,2185,
 igr2=2349,2353,
 &end
#
# 138 LEU  QQD   162 ILE  HA      6.32                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2539, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
 igr1=2187,2188,2189,2183,2184,2185,
 &end
#
# 138 LEU  QQD   162 ILE  QG2     9.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.14, r4=16.64,
 igr1=2187,2188,2189,2183,2184,2185,
 igr2=2543,2544,2545,
 &end
#
# 138 LEU  QQD   165 HIST HD2     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2593, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=2187,2188,2189,2183,2184,2185,
 &end
#
# 139 ILE  HN    139 ILE  HG12    5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2193,2203, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 139 ILE  HN    139 ILE  HG13    5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2193,2204, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 139 ILE  HN    139 ILE  QG1     5.43                
 &rst
  ixpk= 0, nxpk= 0, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=2203,2204,
 &end
#
# 139 ILE  HN    139 ILE  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2206,2207,2208,
 &end
#
# 139 ILE  HN    140 GLY  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2193,2212, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 139 ILE  HN    146 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2193,2287, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  HA    146 LEU  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2287, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 139 ILE  HA    147 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2306, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  HB    140 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2197,2212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 139 ILE  HB    143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2197,2245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  HB    146 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2197,2287, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  QG2   140 GLY  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2212, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=2199,2200,2201,
 &end
#
# 139 ILE  QG2   143 GLY  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=2199,2200,2201,
 &end
#
# 139 ILE  QG2   143 GLY  HA2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2247, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2199,2200,2201,
 &end
#
# 139 ILE  QG2   143 GLY  HA3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2248, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2199,2200,2201,
 &end
#
# 139 ILE  HG12  140 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2203,2212, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  HG13  140 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2204,2212, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  QG1   140 GLY  HN      6.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2212, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=2203,2204,
 &end
#
# 139 ILE  QG1   143 GLY  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2203,2204,
 &end
#
# 139 ILE  QG1   145 PHE  QD      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=2203,2204,
 igr2=2275,2283,
 &end
#
# 139 ILE  QD1   140 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2212, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2206,2207,2208,
 &end
#
# 139 ILE  QD1   145 PHE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2267, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2206,2207,2208,
 &end
#
# 139 ILE  QD1   145 PHE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2206,2207,2208,
 &end
#
# 139 ILE  QD1   145 PHE  QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1=2206,2207,2208,
 igr2=2271,2272,
 &end
#
# 139 ILE  QD1   145 PHE  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2206,2207,2208,
 igr2=2275,2283,
 &end
#
# 139 ILE  QD1   145 PHE  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2206,2207,2208,
 igr2=2277,2281,
 &end
#
# 139 ILE  QD1   146 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2206,2207,2208,
 &end
#
# 139 ILE  QD1   147 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2206,2207,2208,
 &end
#
# 140 GLY  HN    143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2212,2245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 140 GLY  HN    144 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2212,2252, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 140 GLY  HN    145 PHE  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2212,2269, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 140 GLY  HN    146 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=2212,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2300,2301,2302,2296,2297,2298,
 &end
#
# 140 GLY  QA    146 LEU  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=2214,2215,
 igr2=2296,2297,2298,
 &end
#
# 140 GLY  QA    146 LEU  QD2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=2214,2215,
 igr2=2300,2301,2302,
 &end
#
# 141 PRO  HA    143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2229,2245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 141 PRO  HB2   143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2226,2245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 141 PRO  HB3   143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2227,2245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 141 PRO  QB    143 GLY  HN      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=2226,2227,
 &end
#
# 141 PRO  QG    143 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2223,2224,
 &end
#
# 141 PRO  QD    142 ASP- HN      5.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2220,2221,
 &end
#
# 141 PRO  QD    146 LEU  QQD    10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1=2220,2221,
 igr2=2300,2301,2302,2296,2297,2298,
 &end
#
# 142 ASP- HN    143 GLY  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2233,2245, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 142 ASP- HN    143 GLY  HA2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2233,2247, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 142 ASP- HN    143 GLY  HA3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2233,2248, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 142 ASP- HN    143 GLY  QA      5.97                
 &rst
  ixpk= 0, nxpk= 0, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2=2247,2248,
 &end
#
# 142 ASP- HN    144 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2233,2252, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 142 ASP- HB2   143 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2237,2245, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 142 ASP- HB3   143 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2238,2245, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 143 GLY  HN    144 GLU- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2245,2252, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 144 GLU- HA    145 PHE  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2254,2267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 144 GLU- QG    145 PHE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2267, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2259,2260,
 &end
#
# 145 PHE  HN    146 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2267,2287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 145 PHE  HN    146 LEU  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2267,2289, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 145 PHE  HB2   146 LEU  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2271,2287, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 145 PHE  HB3   146 LEU  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2272,2287, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 146 LEU  HN    146 LEU  HG      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,2294, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 146 LEU  HN    146 LEU  QD1     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2=2296,2297,2298,
 &end
#
# 146 LEU  HN    146 LEU  QD2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2=2300,2301,2302,
 &end
#
# 146 LEU  HN    147 ASP- HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,2306, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 146 LEU  HA    146 LEU  QD1     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2289,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=2296,2297,2298,
 &end
#
# 146 LEU  HA    146 LEU  QD2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2289,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=2300,2301,2302,
 &end
#
# 146 LEU  HA    147 ASP- QB      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat=2289,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2=2310,2311,
 &end
#
# 146 LEU  HB2   147 ASP- HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2291,2306, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 146 LEU  HB3   147 ASP- HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2292,2306, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 146 LEU  QB    147 ASP- HN      4.61                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=2291,2292,
 &end
#
# 146 LEU  QD1   165 HIST HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2582, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2296,2297,2298,
 &end
#
# 146 LEU  QD1   165 HIST HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2584, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2296,2297,2298,
 &end
#
# 146 LEU  QD1   165 HIST HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2585, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2296,2297,2298,
 &end
#
# 146 LEU  QD2   165 HIST HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2582, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2300,2301,2302,
 &end
#
# 146 LEU  QD2   165 HIST HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2584, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2300,2301,2302,
 &end
#
# 146 LEU  QD2   165 HIST HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2585, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2300,2301,2302,
 &end
#
# 146 LEU  QQD   147 ASP- HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2306, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=2300,2301,2302,2296,2297,2298,
 &end
#
# 146 LEU  QQD   165 HIST HD2     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2593, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=2300,2301,2302,2296,2297,2298,
 &end
#
# 147 ASP- HN    148 TYR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2306,2318, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 147 ASP- HB2   148 TYR  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2310,2318, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 147 ASP- HB2   162 ILE  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2310,2539, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 147 ASP- HB3   148 TYR  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2311,2318, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 147 ASP- HB3   162 ILE  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2311,2539, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 147 ASP- QB    149 PHE  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=2310,2311,
 igr2=2349,2353,
 &end
#
# 148 TYR  HN    148 TYR  QE      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2318,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr2=2328,2333,
 &end
#
# 148 TYR  HN    149 PHE  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2318,2339, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 148 TYR  HN    149 PHE  QD      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2318,  -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr2=2347,2355,
 &end
#
# 148 TYR  HN    149 PHE  QE      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2318,  -1, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
 igr2=2349,2353,
 &end
#
# 148 TYR  HN    149 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2318,2351, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 148 TYR  HA    149 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2320,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2355,
 &end
#
# 148 TYR  HB2   149 PHE  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2322,2339, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 148 TYR  HB3   149 PHE  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2323,2339, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 149 PHE  HN    149 PHE  QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2339,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=2349,2353,
 &end
#
# 149 PHE  HN    149 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2339,2351, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 149 PHE  HA    149 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2341,2351, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 149 PHE  HB2   150 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2343,2359, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 149 PHE  HB3   150 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2344,2359, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 149 PHE  QD    150 GLY  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2359, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2355,
 &end
#
# 149 PHE  QD    158 ILE  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2489, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2355,
 &end
#
# 149 PHE  QD    158 ILE  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2347,2355,
 igr2=2493,2494,2495,
 &end
#
# 149 PHE  QD    158 ILE  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2347,2355,
 igr2=2500,2501,2502,
 &end
#
# 149 PHE  QD    161 SER  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2526, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2355,
 &end
#
# 149 PHE  QD    161 SER  HB2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2530, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2355,
 &end
#
# 149 PHE  QD    161 SER  HB3     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2531, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2355,
 &end
#
# 149 PHE  QD    162 ILE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2355,
 &end
#
# 149 PHE  QD    162 ILE  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2347,2355,
 igr2=2550,2551,2552,
 &end
#
# 149 PHE  QE    150 GLY  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2359, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2349,2353,
 &end
#
# 149 PHE  QE    158 ILE  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2489, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2349,2353,
 &end
#
# 149 PHE  QE    158 ILE  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2349,2353,
 igr2=2493,2494,2495,
 &end
#
# 149 PHE  QE    161 SER  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2526, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2349,2353,
 &end
#
# 149 PHE  QE    161 SER  HB2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2530, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2349,2353,
 &end
#
# 149 PHE  QE    161 SER  HB3     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2531, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2349,2353,
 &end
#
# 149 PHE  QE    162 ILE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2349,2353,
 &end
#
# 149 PHE  QE    162 ILE  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2349,2353,
 igr2=2550,2551,2552,
 &end
#
# 150 GLY  HN    153 LYS+ QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2359,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2401,2402,
 &end
#
# 150 GLY  HN    153 LYS+ QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2359,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2404,2405,
 &end
#
# 151 GLN  HN    151 GLN  HG2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2366,2373, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 151 GLN  HN    151 GLN  HG3     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2366,2374, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 151 GLN  HN    151 GLN  QG      5.76                
 &rst
  ixpk= 0, nxpk= 0, iat=2366,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=2373,2374,
 &end
#
# 151 GLN  HN    151 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2366,2378, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HN    151 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2366,2379, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HN    151 GLN  QE2     6.39                
 &rst
  ixpk= 0, nxpk= 0, iat=2366,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2=2378,2379,
 &end
#
# 151 GLN  HN    152 ASN  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2366,2383, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 151 GLN  HN    153 LYS+ HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2366,2397, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 151 GLN  HB2   151 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2370,2378, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HB2   151 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2370,2379, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HB2   152 ASN  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2370,2383, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 151 GLN  HB3   151 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2371,2378, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HB3   151 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2371,2379, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HB3   152 ASN  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2371,2383, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 151 GLN  HG2   152 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2373,2383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HG3   152 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2374,2383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  QG    152 ASN  HN      6.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2383, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=2373,2374,
 &end
#
# 152 ASN  HN    152 ASN  HD21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2383,2392, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 152 ASN  HN    152 ASN  HD22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2383,2393, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 152 ASN  HN    153 LYS+ HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2383,2397, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 152 ASN  HB2   153 LYS+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2387,2397, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 152 ASN  HB3   153 LYS+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2388,2397, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 152 ASN  QD2   153 LYS+ HN      5.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2397, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=2392,2393,
 &end
#
# 153 LYS+ HN    153 LYS+ HG2     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2397,2404, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 153 LYS+ HN    153 LYS+ HG3     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2397,2405, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 153 LYS+ HN    153 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2397,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2410,2411,
 &end
#
# 153 LYS+ HN    154 ARG+ HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2397,2419, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 153 LYS+ HN    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2397,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2500,2501,2502,
 &end
#
# 153 LYS+ HA    153 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2399,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2410,2411,
 &end
#
# 153 LYS+ HA    157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2399,2472, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 153 LYS+ HB2   153 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2401,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2410,2411,
 &end
#
# 153 LYS+ HB2   154 ARG+ HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2401,2419, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 153 LYS+ HB2   158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2401,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2500,2501,2502,
 &end
#
# 153 LYS+ HB3   153 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2402,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2410,2411,
 &end
#
# 153 LYS+ HB3   154 ARG+ HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2402,2419, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 153 LYS+ HB3   158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2402,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2500,2501,2502,
 &end
#
# 153 LYS+ QB    154 ARG+ HN      4.85                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2419, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=2401,2402,
 &end
#
# 153 LYS+ QG    154 ARG+ HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2419, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=2404,2405,
 &end
#
# 154 ARG+ HN    154 ARG+ QG      5.08                
 &rst
  ixpk= 0, nxpk= 0, iat=2419,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=2426,2427,
 &end
#
# 154 ARG+ HN    154 ARG+ QD      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2419,  -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr2=2429,2430,
 &end
#
# 154 ARG+ HN    157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2419,2472, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 154 ARG+ HN    157 GLU- QG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2419,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=2479,2480,
 &end
#
# 154 ARG+ HA    154 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2421,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2429,2430,
 &end
#
# 154 ARG+ HA    156 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2421,2465, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 154 ARG+ HB2   155 LYS+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2423,2443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 154 ARG+ HB2   156 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2423,2465, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 154 ARG+ HB3   155 LYS+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2424,2443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 154 ARG+ HB3   156 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2424,2465, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 154 ARG+ HG2   155 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2426,2443, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 154 ARG+ HG3   155 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2427,2443, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 154 ARG+ QD    155 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2443, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2429,2430,
 &end
#
# 154 ARG+ QD    156 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2465, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2429,2430,
 &end
#
# 154 ARG+ QD    157 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2472, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2429,2430,
 &end
#
# 155 LYS+ HN    155 LYS+ QG      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=2450,2451,
 &end
#
# 155 LYS+ HN    155 LYS+ QD      4.38                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=2453,2454,
 &end
#
# 155 LYS+ HN    156 GLY  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2465, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 155 LYS+ HN    156 GLY  HA2     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2467, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 155 LYS+ HN    156 GLY  HA3     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2468, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 155 LYS+ HN    157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2472, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HN    157 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2479,2480,
 &end
#
# 155 LYS+ HA    155 LYS+ QD      4.78                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=2453,2454,
 &end
#
# 155 LYS+ HA    157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,2472, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HA    158 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,2487, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HA    158 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,2491, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HA    158 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2493,2494,2495,
 &end
#
# 155 LYS+ HA    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2500,2501,2502,
 &end
#
# 155 LYS+ HA    159 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,2506, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HB2   155 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2447,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2456,2457,
 &end
#
# 155 LYS+ HB2   156 GLY  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2447,2465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 155 LYS+ HB2   157 GLU- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2447,2472, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 155 LYS+ HB3   155 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2448,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2456,2457,
 &end
#
# 155 LYS+ HB3   156 GLY  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2448,2465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 155 LYS+ HB3   157 GLU- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2448,2472, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 155 LYS+ QB    155 LYS+ QE      7.45                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.39, r4= 9.89,
 igr1=2447,2448,
 igr2=2456,2457,
 &end
#
# 155 LYS+ QB    156 GLY  HN      4.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2465, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=2447,2448,
 &end
#
# 155 LYS+ QB    157 GLU- HN      5.73                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2472, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=2447,2448,
 &end
#
# 155 LYS+ QG    156 GLY  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2465, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2450,2451,
 &end
#
# 155 LYS+ HD2   156 GLY  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2453,2465, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 155 LYS+ HD2   156 GLY  HA2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2453,2467, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HD2   156 GLY  HA3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2453,2468, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HD2   157 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2453,2472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 155 LYS+ HD3   156 GLY  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2454,2465, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 155 LYS+ HD3   156 GLY  HA2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2454,2467, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HD3   156 GLY  HA3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2454,2468, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HD3   157 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2454,2472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 155 LYS+ QD    156 GLY  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2465, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=2453,2454,
 &end
#
# 155 LYS+ QD    157 GLU- HN      5.64                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2472, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1=2453,2454,
 &end
#
# 155 LYS+ QD    158 ILE  HN      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2487, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=2453,2454,
 &end
#
# 155 LYS+ QD    159 ALA  HN      7.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1=2453,2454,
 &end
#
# 155 LYS+ QE    156 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2465, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2456,2457,
 &end
#
# 156 GLY  HN    157 GLU- HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2465,2472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 156 GLY  HN    157 GLU- HA      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2465,2474, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 156 GLY  HN    157 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2465,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2479,2480,
 &end
#
# 156 GLY  HN    158 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2465,2487, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  HN    159 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2465,2506, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  HN    160 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2465,2516, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  HA2   159 ALA  QB      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2467,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=2510,2511,2512,
 &end
#
# 156 GLY  HA2   160 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2467,2516, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  HA3   159 ALA  QB      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2468,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=2510,2511,2512,
 &end
#
# 156 GLY  HA3   160 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2468,2516, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  QA    159 ALA  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2467,2468,
 &end
#
# 157 GLU- HN    157 GLU- QG      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=2479,2480,
 &end
#
# 157 GLU- HN    158 ILE  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,2487, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 157 GLU- HN    158 ILE  HA      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,2489, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 157 GLU- HN    158 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2493,2494,2495,
 &end
#
# 157 GLU- HN    158 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2497,2498,
 &end
#
# 157 GLU- HN    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2500,2501,2502,
 &end
#
# 157 GLU- HN    159 ALA  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,2506, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 157 GLU- HN    160 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,2516, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 157 GLU- HA    160 ALA  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2474,2516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 157 GLU- HA    160 ALA  QB      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2474,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=2520,2521,2522,
 &end
#
# 157 GLU- QB    160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2516, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2476,2477,
 &end
#
# 157 GLU- QB    161 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2526, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2476,2477,
 &end
#
# 157 GLU- QG    158 ILE  HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2487, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1=2479,2480,
 &end
#
# 157 GLU- QG    159 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2479,2480,
 &end
#
# 157 GLU- QG    160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2516, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2479,2480,
 &end
#
# 157 GLU- QG    160 ALA  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=2479,2480,
 igr2=2520,2521,2522,
 &end
#
# 158 ILE  HN    158 ILE  QG1     6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2487,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=2497,2498,
 &end
#
# 158 ILE  HN    158 ILE  QD1     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2487,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2500,2501,2502,
 &end
#
# 158 ILE  HN    159 ALA  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2487,2506, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 158 ILE  HA    160 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2489,2516, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 158 ILE  HA    161 SER  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2489,2526, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 158 ILE  HA    161 SER  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2489,2530, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 158 ILE  HA    161 SER  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2489,2531, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 158 ILE  HB    159 ALA  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2491,2506, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 158 ILE  QG2   159 ALA  HN      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2493,2494,2495,
 &end
#
# 158 ILE  QG2   159 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2508, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2493,2494,2495,
 &end
#
# 158 ILE  QG2   159 ALA  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=2493,2494,2495,
 igr2=2510,2511,2512,
 &end
#
# 158 ILE  QG2   162 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2493,2494,2495,
 &end
#
# 158 ILE  QG2   162 ILE  QG1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=2493,2494,2495,
 igr2=2547,2548,
 &end
#
# 158 ILE  QG2   162 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.96, r4=11.46,
 igr1=2493,2494,2495,
 igr2=2550,2551,2552,
 &end
#
# 158 ILE  QG1   159 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2497,2498,
 &end
#
# 158 ILE  QD1   159 ALA  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1=2500,2501,2502,
 &end
#
# 159 ALA  HN    159 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2506,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=2510,2511,2512,
 &end
#
# 159 ALA  HN    160 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2506,2516, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 159 ALA  HN    160 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2506,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2520,2521,2522,
 &end
#
# 159 ALA  HN    161 SER  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2506,2526, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 159 ALA  HA    161 SER  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2508,2526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 159 ALA  HA    162 ILE  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2508,2537, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 159 ALA  HA    162 ILE  HB      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2508,2541, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 159 ALA  HA    162 ILE  QD1     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2508,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=2550,2551,2552,
 &end
#
# 159 ALA  QB    160 ALA  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2516, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2510,2511,2512,
 &end
#
# 159 ALA  QB    161 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2526, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2510,2511,2512,
 &end
#
# 159 ALA  QB    162 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2510,2511,2512,
 &end
#
# 160 ALA  HN    160 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2516,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=2520,2521,2522,
 &end
#
# 160 ALA  HN    161 SER  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2516,2526, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 160 ALA  HN    162 ILE  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2516,2537, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 160 ALA  HA    163 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2518,2556, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 160 ALA  HA    163 ALA  QB      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2518,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=2560,2561,2562,
 &end
#
# 160 ALA  QB    161 SER  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2526, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2520,2521,2522,
 &end
#
# 160 ALA  QB    162 ILE  HN      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=2520,2521,2522,
 &end
#
# 161 SER  HN    161 SER  HB2     3.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,2530, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 161 SER  HN    161 SER  HB3     3.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,2531, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 161 SER  HN    161 SER  QB      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2530,2531,
 &end
#
# 161 SER  HN    162 ILE  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,2537, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 161 SER  HN    162 ILE  HB      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,2541, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 161 SER  HN    162 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2543,2544,2545,
 &end
#
# 161 SER  HN    162 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2547,2548,
 &end
#
# 161 SER  HN    162 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2550,2551,2552,
 &end
#
# 161 SER  HN    163 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,2556, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 161 SER  HA    163 ALA  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2528,2556, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 161 SER  HA    164 THR  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2528,2566, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 161 SER  HA    164 THR  QG2     6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2528,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr2=2572,2573,2574,
 &end
#
# 161 SER  HB2   162 ILE  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2530,2537, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 161 SER  HB3   162 ILE  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2531,2537, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 161 SER  QB    162 ILE  HN      4.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=2530,2531,
 &end
#
# 162 ILE  HN    162 ILE  QG1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=2547,2548,
 &end
#
# 162 ILE  HN    162 ILE  QD1     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2550,2551,2552,
 &end
#
# 162 ILE  HN    163 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2556, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 162 ILE  HN    164 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2566, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 162 ILE  HN    165 HIST HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2593, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HA    162 ILE  QD1     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2539,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=2550,2551,2552,
 &end
#
# 162 ILE  HA    165 HIST HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2539,2580, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 162 ILE  HA    165 HIST HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2539,2584, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HA    165 HIST HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2539,2585, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HA    165 HIST HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2539,2593, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HA    165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2539,2589, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HA    166 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2539,2597, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HB    163 ALA  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2541,2556, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 162 ILE  HB    164 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2541,2566, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  QG2   163 ALA  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2556, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2543,2544,2545,
 &end
#
# 162 ILE  QG2   164 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2566, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2543,2544,2545,
 &end
#
# 162 ILE  QG2   165 HIST HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2580, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2543,2544,2545,
 &end
#
# 162 ILE  QG1   163 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2556, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2547,2548,
 &end
#
# 162 ILE  QD1   163 ALA  HN      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2556, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=2550,2551,2552,
 &end
#
# 162 ILE  QD1   163 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2558, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2550,2551,2552,
 &end
#
# 163 ALA  HN    163 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=2560,2561,2562,
 &end
#
# 163 ALA  HN    164 THR  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,2566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 163 ALA  HA    166 MET  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2558,2597, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 163 ALA  HA    166 MET  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2558,2601, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 163 ALA  HA    166 MET  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2558,2602, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 163 ALA  HA    167 ARG+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2558,2614, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 163 ALA  QB    164 THR  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2566, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=2560,2561,2562,
 &end
#
# 163 ALA  QB    165 HIST HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2580, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2560,2561,2562,
 &end
#
# 164 THR  HN    164 THR  HB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,2570, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 164 THR  HN    165 HIST HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,2580, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 164 THR  HN    165 HIST HB2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,2584, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 164 THR  HN    165 HIST HB3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,2585, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 164 THR  HN    165 HIST QB      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=2584,2585,
 &end
#
# 164 THR  HA    166 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2568,2597, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 164 THR  HA    167 ARG+ HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2568,2614, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 164 THR  HA    167 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2568,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2624,2625,
 &end
#
# 164 THR  HB    165 HIST HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2570,2580, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 164 THR  QG2   165 HIST HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2580, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr1=2572,2573,2574,
 &end
#
# 164 THR  QG2   167 ARG+ QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=2572,2573,2574,
 igr2=2624,2625,
 &end
#
# 165 HIST HN    165 HIST HD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2593, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 165 HIST HN    165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2589, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 165 HIST HN    167 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2614, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 165 HIST HN    168 PRO  QG      7.38                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,  -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
 igr2=2642,2643,
 &end
#
# 165 HIST HA    165 HIST HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2582,2593, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 165 HIST HA    168 PRO  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2582,2645, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 165 HIST HA    168 PRO  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2582,2646, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 165 HIST HA    168 PRO  QB      6.01                
 &rst
  ixpk= 0, nxpk= 0, iat=2582,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr2=2645,2646,
 &end
#
# 165 HIST HA    168 PRO  QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2582,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2642,2643,
 &end
#
# 165 HIST HB2   166 MET  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2584,2597, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 165 HIST HB3   166 MET  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2585,2597, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 165 HIST QB    166 MET  HN      5.23                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2597, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=2584,2585,
 &end
#
# 166 MET  HN    166 MET  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2597,2604, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 166 MET  HN    166 MET  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2597,2605, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 166 MET  HN    166 MET  QG      5.97                
 &rst
  ixpk= 0, nxpk= 0, iat=2597,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2=2604,2605,
 &end
#
# 166 MET  HN    166 MET  QE      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2597,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=2608,2609,2610,
 &end
#
# 166 MET  HN    167 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2597,2614, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 166 MET  HN    169 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2597,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2660,2669,
 &end
#
# 166 MET  HA    166 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2599,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2608,2609,2610,
 &end
#
# 166 MET  HA    169 TYR  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2599,2652, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 166 MET  HB2   166 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2601,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2608,2609,2610,
 &end
#
# 166 MET  HB2   167 ARG+ HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2601,2614, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 166 MET  HB3   166 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2602,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2608,2609,2610,
 &end
#
# 166 MET  HB3   167 ARG+ HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2602,2614, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 166 MET  QB    167 ARG+ HN      4.11                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2614, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=2601,2602,
 &end
#
# 166 MET  QE    167 ARG+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2614, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2608,2609,2610,
 &end
#
# 167 ARG+ HN    167 ARG+ QD      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2614,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2624,2625,
 &end
#
# 168 PRO  QD    169 TYR  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=2639,2640,
 igr2=2660,2669,
 &end
#
# 168 PRO  QD    169 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=2639,2640,
 igr2=2662,2667,
 &end
#
# 169 TYR  HN    169 TYR  QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2652,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=2662,2667,
 &end
#
# 169 TYR  HN    170 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2652,2673, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 169 TYR  HB2   170 ARG+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2656,2673, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 169 TYR  HB3   170 ARG+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2657,2673, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 169 TYR  QD    170 ARG+ HN      8.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2673, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
 igr1=2660,2669,
 &end
#
# 169 TYR  QE    170 ARG+ HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2673, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2662,2667,
 &end
#
# 170 ARG+ HN    170 ARG+ HG2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2673,2680, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 170 ARG+ HN    170 ARG+ HG3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2673,2681, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 170 ARG+ HN    170 ARG+ QG      4.88                
 &rst
  ixpk= 0, nxpk= 0, iat=2673,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=2680,2681,
 &end
#
# 170 ARG+ HN    170 ARG+ QD      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2673,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=2683,2684,
 &end
#
# 170 ARG+ HN    171 LYS+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2673,2697, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 170 ARG+ HA    170 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2675,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2683,2684,
 &end
#
# 170 ARG+ HB2   171 LYS+ HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2677,2697, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 170 ARG+ HB3   171 LYS+ HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2678,2697, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 170 ARG+ QD    171 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2697, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2683,2684,
 &end
#
# 171 LYS+ HN    171 LYS+ HB2     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,2701, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 171 LYS+ HN    171 LYS+ HB3     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,2702, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 171 LYS+ HN    171 LYS+ QB      3.28                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2=2701,2702,
 &end
#
# 171 LYS+ HN    171 LYS+ HG2     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,2704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 171 LYS+ HN    171 LYS+ HG3     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,2705, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 171 LYS+ HN    171 LYS+ QG      3.68                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=2704,2705,
 &end
#
# 171 LYS+ HN    171 LYS+ QD      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=2707,2708,
 &end
#
# 171 LYS+ HN    171 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2710,2711,
 &end
#
# 171 LYS+ HA    171 LYS+ QB      2.59                
 &rst
  ixpk= 0, nxpk= 0, iat=2699,  -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
 igr2=2701,2702,
 &end
#
# 171 LYS+ HA    171 LYS+ QD      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2699,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2=2707,2708,
 &end
#
# 171 LYS+ HA    171 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2699,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2710,2711,
 &end
#
# 171 LYS+ HB2   172 LYS+ HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2701,2719, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 171 LYS+ HB3   172 LYS+ HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2702,2719, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 171 LYS+ QB    171 LYS+ QE      4.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2701,2702,
 igr2=2710,2711,
 &end
#
# 171 LYS+ QB    172 LYS+ HN      4.41                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2719, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=2701,2702,
 &end
#
# 171 LYS+ QB    173 SER  HN      6.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2741, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1=2701,2702,
 &end
#
# 171 LYS+ QG    171 LYS+ QE      3.63                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=2704,2705,
 igr2=2710,2711,
 &end
#
# 171 LYS+ QG    172 LYS+ HN      6.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2719, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1=2704,2705,
 &end
#
# 171 LYS+ QD    172 LYS+ HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2719, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=2707,2708,
 &end
#
# 172 LYS+ HN    172 LYS+ HB2     3.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2719,2723, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 172 LYS+ HN    172 LYS+ HB3     3.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2719,2724, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 172 LYS+ HN    172 LYS+ QB      2.75                
 &rst
  ixpk= 0, nxpk= 0, iat=2719,  -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
 igr2=2723,2724,
 &end
#
# 172 LYS+ HN    172 LYS+ QG      4.78                
 &rst
  ixpk= 0, nxpk= 0, iat=2719,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=2726,2727,
 &end
#
# 172 LYS+ HN    172 LYS+ QD      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2719,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=2729,2730,
 &end
#
# 172 LYS+ HN    173 SER  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2719,2741, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 172 LYS+ HA    172 LYS+ HG2     3.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2721,2726, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 172 LYS+ HA    172 LYS+ HG3     3.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2721,2727, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 172 LYS+ HA    172 LYS+ QD      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2721,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=2729,2730,
 &end
#
# 172 LYS+ HA    173 SER  HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2721,2741, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 172 LYS+ HB2   173 SER  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2723,2741, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 172 LYS+ HB3   173 SER  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2724,2741, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 172 LYS+ QB    172 LYS+ QD      3.62                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=2723,2724,
 igr2=2729,2730,
 &end
#
# 172 LYS+ QB    173 SER  HN      5.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2741, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=2723,2724,
 &end
#
# 172 LYS+ HG2   173 SER  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2726,2741, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 172 LYS+ HG3   173 SER  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2727,2741, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
# 2751 atoms read from pdb file ../PDB/PDB01/prm_1.pdb.
# 24 ASP PHI:  (23 THR C)-(24 ASP N)-(24 ASP CA)-(24 ASP C) -70.0 -30.0
 &rst     iat =   346,   348,   350,   358,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
   rk2 =  32.0, rk3 =  32.0,    &end

# 25 LYS PHI:  (24 ASP C)-(25 LYS N)-(25 LYS CA)-(25 LYS C) -70.0 -30.0
 &rst     iat =   358,   360,   362,   380,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 26 ASP PHI:  (25 LYS C)-(26 ASP N)-(26 ASP CA)-(26 ASP C) -70.0 -30.0
 &rst     iat =   380,   382,   384,   392,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 27 TYR PHI:  (26 ASP C)-(27 TYR N)-(27 TYR CA)-(27 TYR C) -100.0 -30.0
 &rst     iat =   392,   394,   396,   413,
   r1 = -101.0, r2 = -100.0, r3 = -30.0, r4 = -29.0,
 &end

# 47 GLU PHI:  (46 PRO C)-(47 GLU N)-(47 GLU CA)-(47 GLU C) -70.0 -30.0
 &rst     iat =   715,   717,   719,   730,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 48 GLU PHI:  (47 GLU C)-(48 GLU N)-(48 GLU CA)-(48 GLU C) -70.0 -30.0
 &rst     iat =   730,   732,   734,   745,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 49 LEU PHI:  (48 GLU C)-(49 LEU N)-(49 LEU CA)-(49 LEU C) -70.0 -30.0
 &rst     iat =   745,   747,   749,   764,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 50 GLU PHI:  (49 LEU C)-(50 GLU N)-(50 GLU CA)-(50 GLU C) -70.0 -30.0
 &rst     iat =   764,   766,   768,   779,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 51 LYS PHI:  (50 GLU C)-(51 LYS N)-(51 LYS CA)-(51 LYS C) -70.0 -30.0
 &rst     iat =   779,   781,   783,   801,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 52 MET PHI:  (51 LYS C)-(52 MET N)-(52 MET CA)-(52 MET C) -70.0 -30.0
 &rst     iat =   801,   803,   805,   818,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 53 ILE PHI:  (52 MET C)-(53 ILE N)-(53 ILE CA)-(53 ILE C) -70.0 -30.0
 &rst     iat =   818,   820,   822,   837,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 54 GLN PHI:  (53 ILE C)-(54 GLN N)-(54 GLN CA)-(54 GLN C) -70.0 -30.0
 &rst     iat =   837,   839,   841,   854,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 55 VAL PHI:  (54 GLN C)-(55 VAL N)-(55 VAL CA)-(55 VAL C) -70.0 -30.0
 &rst     iat =   854,   856,   858,   870,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 56 VAL PHI:  (55 VAL C)-(56 VAL N)-(56 VAL CA)-(56 VAL C) -70.0 -30.0
 &rst     iat =   870,   872,   874,   886,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 57 ASP PHI:  (56 VAL C)-(57 ASP N)-(57 ASP CA)-(57 ASP C) -70.0 -30.0
 &rst     iat =   886,   888,   890,   898,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 58 GLU PHI:  (57 ASP C)-(58 GLU N)-(58 GLU CA)-(58 GLU C) -70.0 -30.0
 &rst     iat =   898,   900,   902,   913,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 59 ILE PHI:  (58 GLU C)-(59 ILE N)-(59 ILE CA)-(59 ILE C) -70.0 -30.0
 &rst     iat =   913,   915,   917,   932,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 60 ASP PHI:  (59 ILE C)-(60 ASP N)-(60 ASP CA)-(60 ASP C) -70.0 -30.0
 &rst     iat =   932,   934,   936,   944,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 61 SER PHI:  (60 ASP C)-(61 SER N)-(61 SER CA)-(61 SER C) -70.0 -30.0
 &rst     iat =   944,   946,   948,   955,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 82 LYS PHI:  (81 THR C)-(82 LYS N)-(82 LYS CA)-(82 LYS C) -70.0 -30.0
 &rst     iat =  1273,  1275,  1277,  1295,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 83 GLU PHI:  (82 LYS C)-(83 GLU N)-(83 GLU CA)-(83 GLU C) -70.0 -30.0
 &rst     iat =  1295,  1297,  1299,  1310,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 84 ALA PHI:  (83 GLU C)-(84 ALA N)-(84 ALA CA)-(84 ALA C) -70.0 -30.0
 &rst     iat =  1310,  1312,  1314,  1320,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 85 ILE PHI:  (84 ALA C)-(85 ILE N)-(85 ILE CA)-(85 ILE C) -70.0 -30.0
 &rst     iat =  1320,  1322,  1324,  1339,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 86 ALA PHI:  (85 ILE C)-(86 ALA N)-(86 ALA CA)-(86 ALA C) -70.0 -30.0
 &rst     iat =  1339,  1341,  1343,  1349,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 87 ASN PHI:  (86 ALA C)-(87 ASN N)-(87 ASN CA)-(87 ASN C) -70.0 -30.0
 &rst     iat =  1349,  1351,  1353,  1363,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 88 TYR PHI:  (87 ASN C)-(88 TYR N)-(88 TYR CA)-(88 TYR C) -70.0 -30.0
 &rst     iat =  1363,  1365,  1367,  1384,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 89 VAL PHI:  (88 TYR C)-(89 VAL N)-(89 VAL CA)-(89 VAL C) -70.0 -30.0
 &rst     iat =  1384,  1386,  1388,  1400,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 90 LYS PHI:  (89 VAL C)-(90 LYS N)-(90 LYS CA)-(90 LYS C) -70.0 -30.0
 &rst     iat =  1400,  1402,  1404,  1422,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 91 GLU PHI:  (90 LYS C)-(91 GLU N)-(91 GLU CA)-(91 GLU C) -70.0 -30.0
 &rst     iat =  1422,  1424,  1426,  1437,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 103 ARG PHI:  (102 THR C)-(103 ARG N)-(103 ARG CA)-(103 ARG C) -70.0 -30.0
 &rst     iat =  1600,  1602,  1604,  1624,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 104 GLU PHI:  (103 ARG C)-(104 GLU N)-(104 GLU CA)-(104 GLU C) -70.0 -30.0
 &rst     iat =  1624,  1626,  1628,  1639,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 105 GLU PHI:  (104 GLU C)-(105 GLU N)-(105 GLU CA)-(105 GLU C) -70.0 -30.0
 &rst     iat =  1639,  1641,  1643,  1654,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 106 VAL PHI:  (105 GLU C)-(106 VAL N)-(106 VAL CA)-(106 VAL C) -70.0 -30.0
 &rst     iat =  1654,  1656,  1658,  1670,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 107 ASP PHI:  (106 VAL C)-(107 ASP N)-(107 ASP CA)-(107 ASP C) -70.0 -30.0
 &rst     iat =  1670,  1672,  1674,  1682,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 108 GLN PHI:  (107 ASP C)-(108 GLN N)-(108 GLN CA)-(108 GLN C) -70.0 -30.0
 &rst     iat =  1682,  1684,  1686,  1699,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 109 VAL PHI:  (108 GLN C)-(109 VAL N)-(109 VAL CA)-(109 VAL C) -70.0 -30.0
 &rst     iat =  1699,  1701,  1703,  1715,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 110 ALA PHI:  (109 VAL C)-(110 ALA N)-(110 ALA CA)-(110 ALA C) -70.0 -30.0
 &rst     iat =  1715,  1717,  1719,  1725,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 111 ARG PHI:  (110 ALA C)-(111 ARG N)-(111 ARG CA)-(111 ARG C) -70.0 -30.0
 &rst     iat =  1725,  1727,  1729,  1749,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 112 ALA PHI:  (111 ARG C)-(112 ALA N)-(112 ALA CA)-(112 ALA C) -70.0 -30.0
 &rst     iat =  1749,  1751,  1753,  1759,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 155 LYS PHI:  (154 ARG C)-(155 LYS N)-(155 LYS CA)-(155 LYS C) -70.0 -30.0
 &rst     iat =  2440,  2442,  2444,  2462,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 156 GLY PHI:  (155 LYS C)-(156 GLY N)-(156 GLY CA)-(156 GLY C) -70.0 -30.0
 &rst     iat =  2462,  2464,  2466,  2469,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 157 GLU PHI:  (156 GLY C)-(157 GLU N)-(157 GLU CA)-(157 GLU C) -70.0 -30.0
 &rst     iat =  2469,  2471,  2473,  2484,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 158 ILE PHI:  (157 GLU C)-(158 ILE N)-(158 ILE CA)-(158 ILE C) -70.0 -30.0
 &rst     iat =  2484,  2486,  2488,  2503,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 159 ALA PHI:  (158 ILE C)-(159 ALA N)-(159 ALA CA)-(159 ALA C) -70.0 -30.0
 &rst     iat =  2503,  2505,  2507,  2513,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 160 ALA PHI:  (159 ALA C)-(160 ALA N)-(160 ALA CA)-(160 ALA C) -70.0 -30.0
 &rst     iat =  2513,  2515,  2517,  2523,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 161 SER PHI:  (160 ALA C)-(161 SER N)-(161 SER CA)-(161 SER C) -70.0 -30.0
 &rst     iat =  2523,  2525,  2527,  2534,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 162 ILE PHI:  (161 SER C)-(162 ILE N)-(162 ILE CA)-(162 ILE C) -70.0 -30.0
 &rst     iat =  2534,  2536,  2538,  2553,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 163 ALA PHI:  (162 ILE C)-(163 ALA N)-(163 ALA CA)-(163 ALA C) -70.0 -30.0
 &rst     iat =  2553,  2555,  2557,  2563,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 164 THR PHI:  (163 ALA C)-(164 THR N)-(164 THR CA)-(164 THR C) -70.0 -30.0
 &rst     iat =  2563,  2565,  2567,  2577,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 165 HIS PHI:  (164 THR C)-(165 HIE N)-(165 HIE CA)-(165 HIE C) -70.0 -30.0
 &rst     iat =  2577,  2579,  2581,  2594,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 166 MET PHI:  (165 HIE C)-(166 MET N)-(166 MET CA)-(166 MET C) -70.0 -30.0
 &rst     iat =  2594,  2596,  2598,  2611,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 167 ARG PHI:  (166 MET C)-(167 ARG N)-(167 ARG CA)-(167 ARG C) -70.0 -30.0
 &rst     iat =  2611,  2613,  2615,  2635,
   r1 = -71.0, r2 = -70.0, r3 = -30.0, r4 = -29.0,
 &end

# 24 ASP PSI:  (24 ASP N)-(24 ASP CA)-(24 ASP C)-(25 LYS N) -60.0 -20.0
 &rst     iat =   348,   350,   358,   360,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 25 LYS PSI:  (25 LYS N)-(25 LYS CA)-(25 LYS C)-(26 ASP N) -60.0 -20.0
 &rst     iat =   360,   362,   380,   382,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 26 ASP PSI:  (26 ASP N)-(26 ASP CA)-(26 ASP C)-(27 TYR N) -60.0 -20.0
 &rst     iat =   382,   384,   392,   394,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 27 TYR PSI:  (27 TYR N)-(27 TYR CA)-(27 TYR C)-(28 LEU N) -60.0  20.0
 &rst     iat =   394,   396,   413,   415,
   r1 = -61.0, r2 = -60.0, r3 =  20.0, r4 =  21.0,
 &end

# 46 PRO PSI:  (46 PRO N)-(46 PRO CA)-(46 PRO C)-(47 GLU N) -60.0 -20.0
 &rst     iat =   703,   713,   715,   717,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 47 GLU PSI:  (47 GLU N)-(47 GLU CA)-(47 GLU C)-(48 GLU N) -60.0 -20.0
 &rst     iat =   717,   719,   730,   732,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 48 GLU PSI:  (48 GLU N)-(48 GLU CA)-(48 GLU C)-(49 LEU N) -60.0 -20.0
 &rst     iat =   732,   734,   745,   747,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 49 LEU PSI:  (49 LEU N)-(49 LEU CA)-(49 LEU C)-(50 GLU N) -60.0 -20.0
 &rst     iat =   747,   749,   764,   766,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 50 GLU PSI:  (50 GLU N)-(50 GLU CA)-(50 GLU C)-(51 LYS N) -60.0 -20.0
 &rst     iat =   766,   768,   779,   781,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 51 LYS PSI:  (51 LYS N)-(51 LYS CA)-(51 LYS C)-(52 MET N) -60.0 -20.0
 &rst     iat =   781,   783,   801,   803,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 52 MET PSI:  (52 MET N)-(52 MET CA)-(52 MET C)-(53 ILE N) -60.0 -20.0
 &rst     iat =   803,   805,   818,   820,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 53 ILE PSI:  (53 ILE N)-(53 ILE CA)-(53 ILE C)-(54 GLN N) -60.0 -20.0
 &rst     iat =   820,   822,   837,   839,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 54 GLN PSI:  (54 GLN N)-(54 GLN CA)-(54 GLN C)-(55 VAL N) -60.0 -20.0
 &rst     iat =   839,   841,   854,   856,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 55 VAL PSI:  (55 VAL N)-(55 VAL CA)-(55 VAL C)-(56 VAL N) -60.0 -20.0
 &rst     iat =   856,   858,   870,   872,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 56 VAL PSI:  (56 VAL N)-(56 VAL CA)-(56 VAL C)-(57 ASP N) -60.0 -20.0
 &rst     iat =   872,   874,   886,   888,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 57 ASP PSI:  (57 ASP N)-(57 ASP CA)-(57 ASP C)-(58 GLU N) -60.0 -20.0
 &rst     iat =   888,   890,   898,   900,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 58 GLU PSI:  (58 GLU N)-(58 GLU CA)-(58 GLU C)-(59 ILE N) -60.0 -20.0
 &rst     iat =   900,   902,   913,   915,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 59 ILE PSI:  (59 ILE N)-(59 ILE CA)-(59 ILE C)-(60 ASP N) -60.0 -20.0
 &rst     iat =   915,   917,   932,   934,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 60 ASP PSI:  (60 ASP N)-(60 ASP CA)-(60 ASP C)-(61 SER N) -60.0 -20.0
 &rst     iat =   934,   936,   944,   946,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 61 SER PSI:  (61 SER N)-(61 SER CA)-(61 SER C)-(62 ILE N) -60.0 -20.0
 &rst     iat =   946,   948,   955,   957,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 82 LYS PSI:  (82 LYS N)-(82 LYS CA)-(82 LYS C)-(83 GLU N) -60.0 -20.0
 &rst     iat =  1275,  1277,  1295,  1297,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 83 GLU PSI:  (83 GLU N)-(83 GLU CA)-(83 GLU C)-(84 ALA N) -60.0 -20.0
 &rst     iat =  1297,  1299,  1310,  1312,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 84 ALA PSI:  (84 ALA N)-(84 ALA CA)-(84 ALA C)-(85 ILE N) -60.0 -20.0
 &rst     iat =  1312,  1314,  1320,  1322,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 85 ILE PSI:  (85 ILE N)-(85 ILE CA)-(85 ILE C)-(86 ALA N) -60.0 -20.0
 &rst     iat =  1322,  1324,  1339,  1341,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 86 ALA PSI:  (86 ALA N)-(86 ALA CA)-(86 ALA C)-(87 ASN N) -60.0 -20.0
 &rst     iat =  1341,  1343,  1349,  1351,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 87 ASN PSI:  (87 ASN N)-(87 ASN CA)-(87 ASN C)-(88 TYR N) -60.0 -20.0
 &rst     iat =  1351,  1353,  1363,  1365,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 88 TYR PSI:  (88 TYR N)-(88 TYR CA)-(88 TYR C)-(89 VAL N) -60.0 -20.0
 &rst     iat =  1365,  1367,  1384,  1386,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 89 VAL PSI:  (89 VAL N)-(89 VAL CA)-(89 VAL C)-(90 LYS N) -60.0 -20.0
 &rst     iat =  1386,  1388,  1400,  1402,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 90 LYS PSI:  (90 LYS N)-(90 LYS CA)-(90 LYS C)-(91 GLU N) -60.0 -20.0
 &rst     iat =  1402,  1404,  1422,  1424,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 91 GLU PSI:  (91 GLU N)-(91 GLU CA)-(91 GLU C)-(92 PHE N) -60.0 -20.0
 &rst     iat =  1424,  1426,  1437,  1439,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 103 ARG PSI:  (103 ARG N)-(103 ARG CA)-(103 ARG C)-(104 GLU N) -60.0 -20.0
 &rst     iat =  1602,  1604,  1624,  1626,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 104 GLU PSI:  (104 GLU N)-(104 GLU CA)-(104 GLU C)-(105 GLU N) -60.0 -20.0
 &rst     iat =  1626,  1628,  1639,  1641,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 105 GLU PSI:  (105 GLU N)-(105 GLU CA)-(105 GLU C)-(106 VAL N) -60.0 -20.0
 &rst     iat =  1641,  1643,  1654,  1656,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 106 VAL PSI:  (106 VAL N)-(106 VAL CA)-(106 VAL C)-(107 ASP N) -60.0 -20.0
 &rst     iat =  1656,  1658,  1670,  1672,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 107 ASP PSI:  (107 ASP N)-(107 ASP CA)-(107 ASP C)-(108 GLN N) -60.0 -20.0
 &rst     iat =  1672,  1674,  1682,  1684,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 108 GLN PSI:  (108 GLN N)-(108 GLN CA)-(108 GLN C)-(109 VAL N) -60.0 -20.0
 &rst     iat =  1684,  1686,  1699,  1701,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 109 VAL PSI:  (109 VAL N)-(109 VAL CA)-(109 VAL C)-(110 ALA N) -60.0 -20.0
 &rst     iat =  1701,  1703,  1715,  1717,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 110 ALA PSI:  (110 ALA N)-(110 ALA CA)-(110 ALA C)-(111 ARG N) -60.0 -20.0
 &rst     iat =  1717,  1719,  1725,  1727,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 111 ARG PSI:  (111 ARG N)-(111 ARG CA)-(111 ARG C)-(112 ALA N) -60.0 -20.0
 &rst     iat =  1727,  1729,  1749,  1751,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 112 ALA PSI:  (112 ALA N)-(112 ALA CA)-(112 ALA C)-(113 TYR N) -60.0 -20.0
 &rst     iat =  1751,  1753,  1759,  1761,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 155 LYS PSI:  (155 LYS N)-(155 LYS CA)-(155 LYS C)-(156 GLY N) -60.0 -20.0
 &rst     iat =  2442,  2444,  2462,  2464,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 156 GLY PSI:  (156 GLY N)-(156 GLY CA)-(156 GLY C)-(157 GLU N) -60.0 -20.0
 &rst     iat =  2464,  2466,  2469,  2471,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 157 GLU PSI:  (157 GLU N)-(157 GLU CA)-(157 GLU C)-(158 ILE N) -60.0 -20.0
 &rst     iat =  2471,  2473,  2484,  2486,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 158 ILE PSI:  (158 ILE N)-(158 ILE CA)-(158 ILE C)-(159 ALA N) -60.0 -20.0
 &rst     iat =  2486,  2488,  2503,  2505,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 159 ALA PSI:  (159 ALA N)-(159 ALA CA)-(159 ALA C)-(160 ALA N) -60.0 -20.0
 &rst     iat =  2505,  2507,  2513,  2515,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 160 ALA PSI:  (160 ALA N)-(160 ALA CA)-(160 ALA C)-(161 SER N) -60.0 -20.0
 &rst     iat =  2515,  2517,  2523,  2525,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 161 SER PSI:  (161 SER N)-(161 SER CA)-(161 SER C)-(162 ILE N) -60.0 -20.0
 &rst     iat =  2525,  2527,  2534,  2536,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 162 ILE PSI:  (162 ILE N)-(162 ILE CA)-(162 ILE C)-(163 ALA N) -60.0 -20.0
 &rst     iat =  2536,  2538,  2553,  2555,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 163 ALA PSI:  (163 ALA N)-(163 ALA CA)-(163 ALA C)-(164 THR N) -60.0 -20.0
 &rst     iat =  2555,  2557,  2563,  2565,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 164 THR PSI:  (164 THR N)-(164 THR CA)-(164 THR C)-(165 HIE N) -60.0 -20.0
 &rst     iat =  2565,  2567,  2577,  2579,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 165 HIS PSI:  (165 HIE N)-(165 HIE CA)-(165 HIE C)-(166 MET N) -60.0 -20.0
 &rst     iat =  2579,  2581,  2594,  2596,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 166 MET PSI:  (166 MET N)-(166 MET CA)-(166 MET C)-(167 ARG N) -60.0 -20.0
 &rst     iat =  2596,  2598,  2611,  2613,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 167 ARG PSI:  (167 ARG N)-(167 ARG CA)-(167 ARG C)-(168 PRO N) -60.0 -20.0
 &rst     iat =  2613,  2615,  2635,  2637,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 12 PHE PHI:  (11 PRO C)-(12 PHE N)-(12 PHE CA)-(12 PHE C) -140.0 -100.0
 &rst     iat =   155,   157,   159,   175,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 13 SER PHI:  (12 PHE C)-(13 SER N)-(13 SER CA)-(13 SER C) -140.0 -100.0
 &rst     iat =   175,   177,   179,   186,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 14 LEU PHI:  (13 SER C)-(14 LEU N)-(14 LEU CA)-(14 LEU C) -140.0 -100.0
 &rst     iat =   186,   188,   190,   205,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 15 THR PHI:  (14 LEU C)-(15 THR N)-(15 THR CA)-(15 THR C) -140.0 -100.0
 &rst     iat =   205,   207,   209,   219,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 16 THR PHI:  (15 THR C)-(16 THR N)-(16 THR CA)-(16 THR C) -140.0 -100.0
 &rst     iat =   219,   221,   223,   233,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 21 ARG PHI:  (20 GLU C)-(21 ARG N)-(21 ARG CA)-(21 ARG C) -140.0 -100.0
 &rst     iat =   286,   288,   290,   310,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 22 LYS PHI:  (21 ARG C)-(22 LYS N)-(22 LYS CA)-(22 LYS C) -140.0 -100.0
 &rst     iat =   310,   312,   314,   332,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 23 THR PHI:  (22 LYS C)-(23 THR N)-(23 THR CA)-(23 THR C) -140.0 -100.0
 &rst     iat =   332,   334,   336,   346,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 32 LEU PHI:  (31 TRP C)-(32 LEU N)-(32 LEU CA)-(32 LEU C) -140.0 -100.0
 &rst     iat =   480,   482,   484,   499,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 33 LEU PHI:  (32 LEU C)-(33 LEU N)-(33 LEU CA)-(33 LEU C) -140.0 -100.0
 &rst     iat =   499,   501,   503,   518,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 34 ILE PHI:  (33 LEU C)-(34 ILE N)-(34 ILE CA)-(34 ILE C) -140.0 -100.0
 &rst     iat =   518,   520,   522,   537,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 35 TYR PHI:  (34 ILE C)-(35 TYR N)-(35 TYR CA)-(35 TYR C) -140.0 -100.0
 &rst     iat =   537,   539,   541,   558,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 36 PHE PHI:  (35 TYR C)-(36 PHE N)-(36 PHE CA)-(36 PHE C) -140.0 -100.0
 &rst     iat =   558,   560,   562,   578,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 37 GLY PHI:  (36 PHE C)-(37 GLY N)-(37 GLY CA)-(37 GLY C) -140.0 -100.0
 &rst     iat =   578,   580,   582,   585,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 68 LEU PHI:  (67 ASP C)-(68 LEU N)-(68 LEU CA)-(68 LEU C) -140.0 -100.0
 &rst     iat =  1047,  1049,  1051,  1066,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 69 THR PHI:  (68 LEU C)-(69 THR N)-(69 THR CA)-(69 THR C) -140.0 -100.0
 &rst     iat =  1066,  1068,  1070,  1080,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 71 LEU PHI:  (70 PRO C)-(71 LEU N)-(71 LEU CA)-(71 LEU C) -140.0 -100.0
 &rst     iat =  1094,  1096,  1098,  1113,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 72 PHE PHI:  (71 LEU C)-(72 PHE N)-(72 PHE CA)-(72 PHE C) -140.0 -100.0
 &rst     iat =  1113,  1115,  1117,  1133,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 73 ILE PHI:  (72 PHE C)-(73 ILE N)-(73 ILE CA)-(73 ILE C) -140.0 -100.0
 &rst     iat =  1133,  1135,  1137,  1152,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 97 VAL PHI:  (96 LEU C)-(97 VAL N)-(97 VAL CA)-(97 VAL C) -140.0 -100.0
 &rst     iat =  1523,  1525,  1527,  1539,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 98 GLY PHI:  (97 VAL C)-(98 GLY N)-(98 GLY CA)-(98 GLY C) -140.0 -100.0
 &rst     iat =  1539,  1541,  1543,  1546,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 99 LEU PHI:  (98 GLY C)-(99 LEU N)-(99 LEU CA)-(99 LEU C) -140.0 -100.0
 &rst     iat =  1546,  1548,  1550,  1565,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 100 THR PHI:  (99 LEU C)-(100 THR N)-(100 THR CA)-(100 THR C) -140.0 -100.0
 &rst     iat =  1565,  1567,  1569,  1579,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 136 MET PHI:  (135 ILE C)-(136 MET N)-(136 MET CA)-(136 MET C) -140.0 -100.0
 &rst     iat =  2133,  2135,  2137,  2150,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 137 TYR PHI:  (136 MET C)-(137 TYR N)-(137 TYR CA)-(137 TYR C) -140.0 -100.0
 &rst     iat =  2150,  2152,  2154,  2171,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 138 LEU PHI:  (137 TYR C)-(138 LEU N)-(138 LEU CA)-(138 LEU C) -140.0 -100.0
 &rst     iat =  2171,  2173,  2175,  2190,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 139 ILE PHI:  (138 LEU C)-(139 ILE N)-(139 ILE CA)-(139 ILE C) -140.0 -100.0
 &rst     iat =  2190,  2192,  2194,  2209,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 146 LEU PHI:  (145 PHE C)-(146 LEU N)-(146 LEU CA)-(146 LEU C) -140.0 -100.0
 &rst     iat =  2284,  2286,  2288,  2303,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 148 TYR PHI:  (147 ASP C)-(148 TYR N)-(148 TYR CA)-(148 TYR C) -140.0 -100.0
 &rst     iat =  2315,  2317,  2319,  2336,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 149 PHE PHI:  (148 TYR C)-(149 PHE N)-(149 PHE CA)-(149 PHE C) -140.0 -100.0
 &rst     iat =  2336,  2338,  2340,  2356,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 12 PHE PSI:  (12 PHE N)-(12 PHE CA)-(12 PHE C)-(13 SER N)  60.0 180.0
 &rst     iat =   157,   159,   175,   177,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 13 SER PSI:  (13 SER N)-(13 SER CA)-(13 SER C)-(14 LEU N)  60.0 180.0
 &rst     iat =   177,   179,   186,   188,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 14 LEU PSI:  (14 LEU N)-(14 LEU CA)-(14 LEU C)-(15 THR N)  60.0 180.0
 &rst     iat =   188,   190,   205,   207,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 15 THR PSI:  (15 THR N)-(15 THR CA)-(15 THR C)-(16 THR N)  60.0 180.0
 &rst     iat =   207,   209,   219,   221,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 16 THR PSI:  (16 THR N)-(16 THR CA)-(16 THR C)-(17 HIE N)  60.0 180.0
 &rst     iat =   221,   223,   233,   235,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 21 ARG PSI:  (21 ARG N)-(21 ARG CA)-(21 ARG C)-(22 LYS N)  60.0 180.0
 &rst     iat =   288,   290,   310,   312,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 22 LYS PSI:  (22 LYS N)-(22 LYS CA)-(22 LYS C)-(23 THR N)  60.0 180.0
 &rst     iat =   312,   314,   332,   334,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 23 THR PSI:  (23 THR N)-(23 THR CA)-(23 THR C)-(24 ASP N)  60.0 180.0
 &rst     iat =   334,   336,   346,   348,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 32 LEU PSI:  (32 LEU N)-(32 LEU CA)-(32 LEU C)-(33 LEU N)  60.0 180.0
 &rst     iat =   482,   484,   499,   501,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 33 LEU PSI:  (33 LEU N)-(33 LEU CA)-(33 LEU C)-(34 ILE N)  60.0 180.0
 &rst     iat =   501,   503,   518,   520,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 34 ILE PSI:  (34 ILE N)-(34 ILE CA)-(34 ILE C)-(35 TYR N)  60.0 180.0
 &rst     iat =   520,   522,   537,   539,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 35 TYR PSI:  (35 TYR N)-(35 TYR CA)-(35 TYR C)-(36 PHE N)  60.0 180.0
 &rst     iat =   539,   541,   558,   560,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 36 PHE PSI:  (36 PHE N)-(36 PHE CA)-(36 PHE C)-(37 GLY N)  60.0 180.0
 &rst     iat =   560,   562,   578,   580,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 37 GLY PSI:  (37 GLY N)-(37 GLY CA)-(37 GLY C)-(38 PHE N)  60.0 180.0
 &rst     iat =   580,   582,   585,   587,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 68 LEU PSI:  (68 LEU N)-(68 LEU CA)-(68 LEU C)-(69 THR N)  60.0 180.0
 &rst     iat =  1049,  1051,  1066,  1068,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 69 THR PSI:  (69 THR N)-(69 THR CA)-(69 THR C)-(70 PRO N)  60.0 180.0
 &rst     iat =  1068,  1070,  1080,  1082,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 70 PRO PSI:  (70 PRO N)-(70 PRO CA)-(70 PRO C)-(71 LEU N)  60.0 180.0
 &rst     iat =  1082,  1092,  1094,  1096,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 71 LEU PSI:  (71 LEU N)-(71 LEU CA)-(71 LEU C)-(72 PHE N)  60.0 180.0
 &rst     iat =  1096,  1098,  1113,  1115,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 72 PHE PSI:  (72 PHE N)-(72 PHE CA)-(72 PHE C)-(73 ILE N)  60.0 180.0
 &rst     iat =  1115,  1117,  1133,  1135,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 73 ILE PSI:  (73 ILE N)-(73 ILE CA)-(73 ILE C)-(74 SER N)  60.0 180.0
 &rst     iat =  1135,  1137,  1152,  1154,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 97 VAL PSI:  (97 VAL N)-(97 VAL CA)-(97 VAL C)-(98 GLY N)  60.0 180.0
 &rst     iat =  1525,  1527,  1539,  1541,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 98 GLY PSI:  (98 GLY N)-(98 GLY CA)-(98 GLY C)-(99 LEU N)  60.0 180.0
 &rst     iat =  1541,  1543,  1546,  1548,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 99 LEU PSI:  (99 LEU N)-(99 LEU CA)-(99 LEU C)-(100 THR N)  60.0 180.0
 &rst     iat =  1548,  1550,  1565,  1567,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 100 THR PSI:  (100 THR N)-(100 THR CA)-(100 THR C)-(101 GLY N)  60.0 180.0
 &rst     iat =  1567,  1569,  1579,  1581,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 136 MET PSI:  (136 MET N)-(136 MET CA)-(136 MET C)-(137 TYR N)  60.0 180.0
 &rst     iat =  2135,  2137,  2150,  2152,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 137 TYR PSI:  (137 TYR N)-(137 TYR CA)-(137 TYR C)-(138 LEU N)  60.0 180.0
 &rst     iat =  2152,  2154,  2171,  2173,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 138 LEU PSI:  (138 LEU N)-(138 LEU CA)-(138 LEU C)-(139 ILE N)  60.0 180.0
 &rst     iat =  2173,  2175,  2190,  2192,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 139 ILE PSI:  (139 ILE N)-(139 ILE CA)-(139 ILE C)-(140 GLY N)  60.0 180.0
 &rst     iat =  2192,  2194,  2209,  2211,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 147 ASP PSI:  (147 ASP N)-(147 ASP CA)-(147 ASP C)-(148 TYR N)  60.0 180.0
 &rst     iat =  2305,  2307,  2315,  2317,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 148 TYR PSI:  (148 TYR N)-(148 TYR CA)-(148 TYR C)-(149 PHE N)  60.0 180.0
 &rst     iat =  2317,  2319,  2336,  2338,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 149 PHE PSI:  (149 PHE N)-(149 PHE CA)-(149 PHE C)-(150 GLY N)  60.0 180.0
 &rst     iat =  2338,  2340,  2356,  2358,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end


  Entry H atom name         Submitted Coord H atom name
    1   1H    SER 129          H1        SER 129  21.052  -6.338   5.473
    2   2H    SER 129          H2        SER 129  22.443  -5.512   5.351
    3   3H    SER 129          H3        SER 129  21.018  -4.700   5.420
    4    HA   SER 129           HA       SER 129  22.123  -4.520   7.479
    5   1HB   SER 129          HB2       SER 129  19.769  -4.486   7.649
    6   2HB   SER 129          HB3       SER 129  19.657  -6.242   7.726
    7    HG   SER 129           HG       SER 129  19.699  -5.097   9.808
    8    H    PHE 130           H        PHE 130  23.241  -8.256   8.357
    9    HA   PHE 130           HA       PHE 130  21.868  -9.771   7.609
   10   1HB   PHE 130          HB2       PHE 130  19.861  -7.961   8.939
   11   2HB   PHE 130          HB3       PHE 130  19.551  -9.609   8.436
   12    HD1  PHE 130           HD1      PHE 130  21.432  -7.469  10.809
   13    HD2  PHE 130           HD2      PHE 130  20.605 -11.520   9.565
   14    HE1  PHE 130           HE1      PHE 130  22.475  -8.329  12.889
   15    HE2  PHE 130           HE2      PHE 130  21.651 -12.367  11.648
   16    HZ   PHE 130           HZ       PHE 130  22.590 -10.775  13.308
   17    H    THR 131           H        THR 131  21.895 -10.226   5.603
   18    HA   THR 131           HA       THR 131  21.575 -10.313   3.368
   19    HB   THR 131           HB       THR 131  19.759  -9.521   2.158
   20    HG1  THR 131           HG1      THR 131  19.188  -7.851   4.346
   21   1HG2  THR 131          HG21      THR 131  18.579 -10.106   4.906
   22   2HG2  THR 131          HG22      THR 131  17.786 -10.268   3.329
   23   3HG2  THR 131          HG23      THR 131  19.141 -11.333   3.745
   24    H    GLY 132           H        GLY 132  21.923  -8.944   1.379
   25   1HA   GLY 132          HA1       GLY 132  24.111  -7.161   1.983
   26   2HA   GLY 132          HA2       GLY 132  23.492  -7.578   0.370
   27    H    LYS 133           H        LYS 133  20.729  -6.453   1.441
   28    HA   LYS 133           HA       LYS 133  21.199  -3.773   0.387
   29   1HB   LYS 133          HB2       LYS 133  18.755  -5.274   1.397
   30   2HB   LYS 133          HB3       LYS 133  18.721  -3.551   1.076
   31   1HG   LYS 133          HG2       LYS 133  19.491  -3.979  -1.275
   32   2HG   LYS 133          HG3       LYS 133  19.250  -5.712  -0.984
   33   1HD   LYS 133          HD2       LYS 133  16.905  -5.422  -0.581
   34   2HD   LYS 133          HD3       LYS 133  17.058  -3.679  -0.378
   35   1HE   LYS 133          HE2       LYS 133  17.775  -3.568  -2.838
   36   2HE   LYS 133          HE3       LYS 133  17.190  -5.241  -2.962
   37   1HZ   LYS 133          HZ1       LYS 133  15.600  -2.830  -2.197
   38   2HZ   LYS 133          HZ2       LYS 133  15.405  -3.721  -3.528
   39   3HZ   LYS 133          HZ3       LYS 133  15.031  -4.347  -2.038
   40    HA   PRO 134           HA       PRO 134  20.430  -1.617   4.397
   41   1HB   PRO 134          HB2       PRO 134  20.483   0.939   3.478
   42   2HB   PRO 134          HB3       PRO 134  21.969   0.021   3.818
   43   1HG   PRO 134          HG2       PRO 134  20.768   0.656   1.150
   44   2HG   PRO 134          HG3       PRO 134  22.479   0.490   1.611
   45   1HD   PRO 134          HD2       PRO 134  20.800  -1.505   0.414
   46   2HD   PRO 134          HD3       PRO 134  22.453  -1.738   1.055
   47    H    LEU 135           H        LEU 135  18.766   0.749   2.647
   48    HA   LEU 135           HA       LEU 135  16.712   1.027   1.676
   49   1HB   LEU 135          HB2       LEU 135  17.472  -1.734   0.680
   50   2HB   LEU 135          HB3       LEU 135  16.149  -0.826   0.020
   51    HG   LEU 135           HG       LEU 135  18.928   0.232   0.040
   52   1HD1  LEU 135          HD11      LEU 135  17.479  -1.209  -2.197
   53   2HD1  LEU 135          HD12      LEU 135  19.049  -0.391  -2.342
   54   3HD1  LEU 135          HD13      LEU 135  18.890  -1.798  -1.285
   55   1HD2  LEU 135          HD21      LEU 135  17.226   2.005  -0.194
   56   2HD2  LEU 135          HD22      LEU 135  18.135   1.791  -1.693
   57   3HD2  LEU 135          HD23      LEU 135  16.499   1.122  -1.552
   58    H    LEU 136           H        LEU 136  14.481  -0.334   1.077
   59    HA   LEU 136           HA       LEU 136  13.389  -0.915   3.821
   60   1HB   LEU 136          HB2       LEU 136  12.198   0.566   1.435
   61   2HB   LEU 136          HB3       LEU 136  11.372   0.281   2.959
   62    HG   LEU 136           HG       LEU 136  13.855   2.004   2.581
   63   1HD1  LEU 136          HD11      LEU 136  10.978   2.760   3.264
   64   2HD1  LEU 136          HD12      LEU 136  12.351   3.873   3.040
   65   3HD1  LEU 136          HD13      LEU 136  11.731   2.944   1.668
   66   1HD2  LEU 136          HD21      LEU 136  13.886   1.005   4.840
   67   2HD2  LEU 136          HD22      LEU 136  13.458   2.711   4.941
   68   3HD2  LEU 136          HD23      LEU 136  12.191   1.470   5.090
   69    H    GLY 137           H        GLY 137  11.374  -2.925   0.929
   70   1HA   GLY 137          HA1       GLY 137  12.963  -2.872  -0.839
   71   2HA   GLY 137          HA2       GLY 137  14.196  -2.244   0.275
   72    H    GLY 138           H        GLY 138  12.899  -4.237   2.309
   73   1HA   GLY 138          HA1       GLY 138  14.246  -6.766   1.470
   74   2HA   GLY 138          HA2       GLY 138  13.556  -6.398   3.077
   75    HA   PRO 139           HA       PRO 139  10.426  -8.616   0.406
   76   1HB   PRO 139          HB2       PRO 139  10.368 -11.126   1.376
   77   2HB   PRO 139          HB3       PRO 139  11.671 -10.593   0.259
   78   1HG   PRO 139          HG2       PRO 139  11.710 -10.650   3.286
   79   2HG   PRO 139          HG3       PRO 139  12.917 -11.384   2.173
   80   1HD   PRO 139          HD2       PRO 139  13.296  -8.906   3.282
   81   2HD   PRO 139          HD3       PRO 139  13.803  -9.252   1.597
   82    H    PHE 140           H        PHE 140   8.411  -8.872   0.883
   83    HA   PHE 140           HA       PHE 140   7.441  -9.277   3.650
   84   1HB   PHE 140          HB2       PHE 140   5.287  -8.317   2.977
   85   2HB   PHE 140          HB3       PHE 140   6.603  -7.159   2.981
   86    HD1  PHE 140           HD1      PHE 140   4.359  -9.145   0.758
   87    HD2  PHE 140           HD2      PHE 140   7.220  -5.927   1.030
   88    HE1  PHE 140           HE1      PHE 140   3.722  -8.382  -1.512
   89    HE2  PHE 140           HE2      PHE 140   6.577  -5.165  -1.236
   90    HZ   PHE 140           HZ       PHE 140   4.828  -6.387  -2.513
   91    H    SER 141           H        SER 141   5.521 -10.774   3.628
   92    HA   SER 141           HA       SER 141   5.664 -12.762   1.376
   93   1HB   SER 141          HB2       SER 141   5.898 -13.461   4.333
   94   2HB   SER 141          HB3       SER 141   6.135 -14.530   2.939
   95    HG   SER 141           HG       SER 141   8.153 -13.938   3.647
   96    H    LEU 142           H        LEU 142   3.591 -10.935   1.982
   97    HA   LEU 142           HA       LEU 142   1.523 -12.388   3.526
   98   1HB   LEU 142          HB2       LEU 142   1.659  -9.578   2.362
   99   2HB   LEU 142          HB3       LEU 142   0.161 -10.304   2.934
  100    HG   LEU 142           HG       LEU 142   1.229 -10.611   5.206
  101   1HD1  LEU 142          HD11      LEU 142   3.304  -8.716   4.005
  102   2HD1  LEU 142          HD12      LEU 142   3.103  -9.045   5.733
  103   3HD1  LEU 142          HD13      LEU 142   3.619 -10.344   4.655
  104   1HD2  LEU 142          HD21      LEU 142  -0.393  -8.830   4.713
  105   2HD2  LEU 142          HD22      LEU 142   0.866  -8.206   5.788
  106   3HD2  LEU 142          HD23      LEU 142   0.899  -7.797   4.062
  107    H    THR 143           H        THR 143  -0.207 -13.239   2.683
  108    HA   THR 143           HA       THR 143  -0.079 -14.011  -0.149
  109    HB   THR 143           HB       THR 143  -1.582 -14.845   2.289
  110    HG1  THR 143           HG1      THR 143  -0.384 -16.679   2.059
  111   1HG2  THR 143          HG21      THR 143  -1.923 -16.003  -0.498
  112   2HG2  THR 143          HG22      THR 143  -2.432 -16.844   0.979
  113   3HG2  THR 143          HG23      THR 143  -3.194 -15.313   0.539
  114    H    THR 144           H        THR 144  -1.613 -13.788  -1.585
  115    HA   THR 144           HA       THR 144  -3.082 -11.316  -1.628
  116    HB   THR 144           HB       THR 144  -4.089 -12.304  -3.748
  117    HG1  THR 144           HG1      THR 144  -2.096 -14.267  -3.263
  118   1HG2  THR 144          HG21      THR 144  -1.052 -12.246  -3.529
  119   2HG2  THR 144          HG22      THR 144  -1.999 -12.126  -5.027
  120   3HG2  THR 144          HG23      THR 144  -2.107 -10.842  -3.808
  121    H    HIS 145           H        HIS 145  -5.167 -10.857  -1.546
  122    HA   HIS 145           HA       HIS 145  -7.047 -12.248  -0.008
  123   1HB   HIS 145          HB2       HIS 145  -8.626 -10.716  -0.966
  124   2HB   HIS 145          HB3       HIS 145  -7.129  -9.879  -0.625
  125    HD2  HIS 145           HD2      HIS 145  -9.361  -8.788  -2.647
  126    HE1  HIS 145           HE1      HIS 145  -6.475  -9.529  -5.673
  127    HE2  HIS 145           HE2      HIS 145  -8.565  -8.197  -5.072
  128    H    THR 146           H        THR 146  -6.018 -12.975  -3.214
  129    HA   THR 146           HA       THR 146  -8.159 -14.830  -3.920
  130    HB   THR 146           HB       THR 146  -5.356 -14.572  -5.094
  131    HG1  THR 146           HG1      THR 146  -6.443 -13.136  -6.530
  132   1HG2  THR 146          HG21      THR 146  -8.011 -15.520  -6.273
  133   2HG2  THR 146          HG22      THR 146  -6.473 -15.377  -7.155
  134   3HG2  THR 146          HG23      THR 146  -6.636 -16.564  -5.850
  135    H    GLY 147           H        GLY 147  -4.747 -15.183  -2.782
  136   1HA   GLY 147          HA1       GLY 147  -4.656 -16.850  -0.907
  137   2HA   GLY 147          HA2       GLY 147  -5.343 -18.038  -2.021
  138    H    GLU 148           H        GLU 148  -3.049 -16.073  -3.604
  139    HA   GLU 148           HA       GLU 148  -0.926 -18.145  -3.339
  140   1HB   GLU 148          HB2       GLU 148  -2.053 -17.311  -5.557
  141   2HB   GLU 148          HB3       GLU 148  -0.985 -15.923  -5.406
  142   1HG   GLU 148          HG2       GLU 148   0.092 -18.774  -5.265
  143   2HG   GLU 148          HG3       GLU 148  -0.343 -18.057  -6.814
  144    H    ARG 149           H        ARG 149   1.302 -17.463  -2.816
  145    HA   ARG 149           HA       ARG 149   1.103 -15.397  -0.734
  146   1HB   ARG 149          HB2       ARG 149   1.892 -17.631  -0.094
  147   2HB   ARG 149          HB3       ARG 149   3.334 -17.390  -1.115
  148   1HG   ARG 149          HG2       ARG 149   3.921 -15.358   0.177
  149   2HG   ARG 149          HG3       ARG 149   2.442 -15.491   1.116
  150   1HD   ARG 149          HD2       ARG 149   4.758 -17.438   1.123
  151   2HD   ARG 149          HD3       ARG 149   4.506 -16.187   2.305
  152    HE   ARG 149           HE       ARG 149   3.165 -18.761   2.247
  153   1HH1  ARG 149          HH11      ARG 149   2.616 -15.396   3.225
  154   2HH1  ARG 149          HH12      ARG 149   1.931 -15.821   4.731
  155   1HH2  ARG 149          HH21      ARG 149   2.170 -19.246   4.324
  156   2HH2  ARG 149          HH22      ARG 149   1.646 -17.880   5.294
  157    H    LYS 150           H        LYS 150   1.886 -13.407  -0.905
  158    HA   LYS 150           HA       LYS 150   3.654 -12.918  -3.287
  159   1HB   LYS 150          HB2       LYS 150   1.031 -11.849  -2.552
  160   2HB   LYS 150          HB3       LYS 150   2.207 -10.568  -2.807
  161   1HG   LYS 150          HG2       LYS 150   1.107 -11.107  -4.914
  162   2HG   LYS 150          HG3       LYS 150   2.820 -11.465  -4.986
  163   1HD   LYS 150          HD2       LYS 150   1.511 -13.924  -4.212
  164   2HD   LYS 150          HD3       LYS 150   0.518 -13.192  -5.441
  165   1HE   LYS 150          HE2       LYS 150   1.881 -14.105  -6.963
  166   2HE   LYS 150          HE3       LYS 150   3.028 -12.835  -6.548
  167   1HZ   LYS 150          HZ1       LYS 150   3.643 -14.714  -4.727
  168   2HZ   LYS 150          HZ2       LYS 150   3.028 -15.659  -5.902
  169   3HZ   LYS 150          HZ3       LYS 150   4.310 -14.644  -6.234
  170    H    THR 151           H        THR 151   4.974 -11.210  -3.456
  171    HA   THR 151           HA       THR 151   6.341 -10.306  -1.007
  172    HB   THR 151           HB       THR 151   8.361 -11.398  -1.596
  173    HG1  THR 151           HG1      THR 151   7.059 -12.109  -4.018
  174   1HG2  THR 151          HG21      THR 151   6.288 -13.533  -2.264
  175   2HG2  THR 151          HG22      THR 151   7.940 -13.763  -1.667
  176   3HG2  THR 151          HG23      THR 151   6.723 -13.024  -0.616
  177    H    ASP 152           H        ASP 152   8.414  -9.230  -1.657
  178    HA   ASP 152           HA       ASP 152   7.838  -6.736  -2.761
  179   1HB   ASP 152          HB2       ASP 152   9.554  -7.195  -1.100
  180   2HB   ASP 152          HB3       ASP 152  10.432  -8.236  -2.219
  181    H    LYS 153           H        LYS 153   9.046  -9.558  -4.599
  182    HA   LYS 153           HA       LYS 153   9.235  -7.733  -6.975
  183   1HB   LYS 153          HB2       LYS 153  11.074 -10.029  -6.250
  184   2HB   LYS 153          HB3       LYS 153  11.094  -9.199  -7.810
  185   1HG   LYS 153          HG2       LYS 153  11.518  -7.811  -5.134
  186   2HG   LYS 153          HG3       LYS 153  12.814  -8.369  -6.166
  187   1HD   LYS 153          HD2       LYS 153  12.544  -6.709  -7.731
  188   2HD   LYS 153          HD3       LYS 153  10.832  -6.466  -7.440
  189   1HE   LYS 153          HE2       LYS 153  12.838  -5.813  -5.274
  190   2HE   LYS 153          HE3       LYS 153  12.586  -4.683  -6.628
  191   1HZ   LYS 153          HZ1       LYS 153  10.139  -5.550  -5.408
  192   2HZ   LYS 153          HZ2       LYS 153  11.082  -4.804  -4.347
  193   3HZ   LYS 153          HZ3       LYS 153  10.648  -4.022  -5.738
  194    H    ASP 154           H        ASP 154   7.182  -9.921  -5.902
  195    HA   ASP 154           HA       ASP 154   6.440 -11.223  -8.405
  196   1HB   ASP 154          HB2       ASP 154   4.821 -10.265  -6.006
  197   2HB   ASP 154          HB3       ASP 154   4.175 -11.225  -7.333
  198    H    TYR 155           H        TYR 155   6.340  -7.958  -7.217
  199    HA   TYR 155           HA       TYR 155   4.479  -7.046  -9.324
  200   1HB   TYR 155          HB2       TYR 155   5.780  -5.533  -7.032
  201   2HB   TYR 155          HB3       TYR 155   4.509  -4.951  -8.114
  202    HD1  TYR 155           HD1      TYR 155   5.233  -7.009  -5.184
  203    HD2  TYR 155           HD2      TYR 155   2.240  -5.984  -8.106
  204    HE1  TYR 155           HE1      TYR 155   3.528  -8.200  -3.847
  205    HE2  TYR 155           HE2      TYR 155   0.510  -7.156  -6.763
  206    HH   TYR 155           HH       TYR 155   1.326  -8.752  -3.666
  207    H    LEU 156           H        LEU 156   7.781  -7.569  -9.237
  208    HA   LEU 156           HA       LEU 156   8.823  -5.465 -10.853
  209   1HB   LEU 156          HB2       LEU 156   9.914  -7.516  -9.643
  210   2HB   LEU 156          HB3       LEU 156   9.520  -8.419 -11.101
  211    HG   LEU 156           HG       LEU 156  11.174  -5.884 -10.929
  212   1HD1  LEU 156          HD11      LEU 156  12.094  -8.775 -11.271
  213   2HD1  LEU 156          HD12      LEU 156  13.148  -7.342 -11.240
  214   3HD1  LEU 156          HD13      LEU 156  12.250  -7.810  -9.790
  215   1HD2  LEU 156          HD21      LEU 156  10.331  -6.064 -13.209
  216   2HD2  LEU 156          HD22      LEU 156  12.020  -6.546 -13.224
  217   3HD2  LEU 156          HD23      LEU 156  10.752  -7.791 -13.280
  218    H    GLY 157           H        GLY 157   8.232  -4.880 -12.859
  219   1HA   GLY 157          HA1       GLY 157   7.521  -5.166 -15.103
  220   2HA   GLY 157          HA2       GLY 157   6.823  -6.754 -14.704
  221    H    GLN 158           H        GLN 158   5.753  -4.566 -12.317
  222    HA   GLN 158           HA       GLN 158   3.669  -3.334 -14.009
  223   1HB   GLN 158          HB2       GLN 158   1.847  -3.900 -12.566
  224   2HB   GLN 158          HB3       GLN 158   2.579  -5.355 -13.242
  225   1HG   GLN 158          HG2       GLN 158   3.779  -5.715 -11.089
  226   2HG   GLN 158          HG3       GLN 158   2.959  -4.300 -10.400
  227   1HE2  GLN 158          HE22      GLN 158   2.635  -7.706 -11.356
  228   2HE2  GLN 158          HE21      GLN 158   0.976  -7.828 -10.790
  229    H    TRP 159           H        TRP 159   2.710  -1.402 -12.967
  230    HA   TRP 159           HA       TRP 159   4.507  -0.193 -10.921
  231   1HB   TRP 159          HB2       TRP 159   2.106   0.882 -12.454
  232   2HB   TRP 159          HB3       TRP 159   2.952   1.749 -11.185
  233    HD1  TRP 159           HD1      TRP 159   3.808   0.269 -14.638
  234    HE1  TRP 159           HE1      TRP 159   5.402   1.897 -15.827
  235    HE3  TRP 159           HE3      TRP 159   4.535   3.615 -10.838
  236    HZ2  TRP 159           HZ2      TRP 159   6.520   4.498 -15.313
  237    HZ3  TRP 159           HZ3      TRP 159   5.809   5.710 -11.241
  238    HH2  TRP 159           HH2      TRP 159   6.798   6.171 -13.474
  239    H    LEU 160           H        LEU 160   3.670   0.527  -8.852
  240    HA   LEU 160           HA       LEU 160   0.924  -0.132  -8.198
  241   1HB   LEU 160          HB2       LEU 160   1.298  -1.640  -6.368
  242   2HB   LEU 160          HB3       LEU 160   1.829  -2.337  -7.878
  243    HG   LEU 160           HG       LEU 160   3.728  -1.103  -5.841
  244   1HD1  LEU 160          HD11      LEU 160   2.804  -3.975  -6.179
  245   2HD1  LEU 160          HD12      LEU 160   4.136  -3.450  -5.121
  246   3HD1  LEU 160          HD13      LEU 160   2.475  -2.917  -4.804
  247   1HD2  LEU 160          HD21      LEU 160   4.845  -1.297  -7.983
  248   2HD2  LEU 160          HD22      LEU 160   5.340  -2.721  -7.066
  249   3HD2  LEU 160          HD23      LEU 160   4.080  -2.844  -8.321
  250    H    LEU 161           H        LEU 161   0.104   0.468  -6.290
  251    HA   LEU 161           HA       LEU 161   1.583   2.459  -4.631
  252   1HB   LEU 161          HB2       LEU 161  -1.391   2.198  -5.271
  253   2HB   LEU 161          HB3       LEU 161  -0.770   3.182  -3.957
  254    HG   LEU 161           HG       LEU 161  -0.090   3.615  -6.890
  255   1HD1  LEU 161          HD11      LEU 161  -2.080   5.082  -5.106
  256   2HD1  LEU 161          HD12      LEU 161  -1.626   5.555  -6.754
  257   3HD1  LEU 161          HD13      LEU 161  -2.478   4.026  -6.478
  258   1HD2  LEU 161          HD21      LEU 161   1.643   4.523  -5.370
  259   2HD2  LEU 161          HD22      LEU 161   0.729   5.818  -6.144
  260   3HD2  LEU 161          HD23      LEU 161   0.393   5.394  -4.457
  261    H    ILE 162           H        ILE 162   2.393   1.177  -3.061
  262    HA   ILE 162           HA       ILE 162   0.770  -1.000  -1.824
  263    HB   ILE 162           HB       ILE 162   3.473   0.164  -1.058
  264   1HG1  ILE 162          HG12      ILE 162   2.757  -2.388  -2.550
  265   2HG1  ILE 162          HG13      ILE 162   3.619  -0.998  -3.202
  266   1HG2  ILE 162          HG21      ILE 162   2.016  -2.336  -0.044
  267   2HG2  ILE 162          HG22      ILE 162   3.616  -1.773   0.496
  268   3HG2  ILE 162          HG23      ILE 162   2.192  -0.825   0.871
  269   1HD1  ILE 162          HD11      ILE 162   4.664  -2.962  -1.127
  270   2HD1  ILE 162          HD12      ILE 162   5.218  -2.735  -2.787
  271   3HD1  ILE 162          HD13      ILE 162   5.495  -1.454  -1.589
  272    H    TYR 163           H        TYR 163  -0.745  -0.500  -0.419
  273    HA   TYR 163           HA       TYR 163  -0.656   2.152   0.975
  274   1HB   TYR 163          HB2       TYR 163  -2.425   2.243  -0.584
  275   2HB   TYR 163          HB3       TYR 163  -2.890   0.570  -0.299
  276    HD1  TYR 163           HD1      TYR 163  -2.441   3.642   1.894
  277    HD2  TYR 163           HD2      TYR 163  -4.938   0.325   0.728
  278    HE1  TYR 163           HE1      TYR 163  -4.023   4.195   3.714
  279    HE2  TYR 163           HE2      TYR 163  -6.539   0.890   2.539
  280    HH   TYR 163           HH       TYR 163  -5.960   3.594   4.806
  281    H    PHE 164           H        PHE 164  -0.402   2.056   3.069
  282    HA   PHE 164           HA       PHE 164  -1.056  -0.419   4.570
  283   1HB   PHE 164          HB2       PHE 164   0.630   2.015   5.248
  284   2HB   PHE 164          HB3       PHE 164   0.343   0.647   6.315
  285    HD1  PHE 164           HD1      PHE 164   2.563   1.953   3.841
  286    HD2  PHE 164           HD2      PHE 164   0.901  -1.748   5.288
  287    HE1  PHE 164           HE1      PHE 164   4.504   0.708   2.920
  288    HE2  PHE 164           HE2      PHE 164   2.838  -2.983   4.369
  289    HZ   PHE 164           HZ       PHE 164   4.653  -1.755   3.191
  290    H    GLY 165           H        GLY 165  -2.792  -0.531   5.753
  291   1HA   GLY 165          HA1       GLY 165  -4.075   1.895   6.951
  292   2HA   GLY 165          HA2       GLY 165  -5.025   0.814   5.937
  293    H    PHE 166           H        PHE 166  -6.316   0.791   7.936
  294    HA   PHE 166           HA       PHE 166  -5.422  -1.231   9.957
  295   1HB   PHE 166          HB2       PHE 166  -7.167   1.232  10.368
  296   2HB   PHE 166          HB3       PHE 166  -6.612   0.146  11.622
  297    HD1  PHE 166           HD1      PHE 166  -6.035   3.264  10.094
  298    HD2  PHE 166           HD2      PHE 166  -3.938  -0.086  11.819
  299    HE1  PHE 166           HE1      PHE 166  -4.065   4.714  10.535
  300    HE2  PHE 166           HE2      PHE 166  -1.962   1.361  12.212
  301    HZ   PHE 166           HZ       PHE 166  -2.028   3.764  11.576
  302    H    THR 167           H        THR 167  -7.224  -2.382  11.032
  303    HA   THR 167           HA       THR 167  -9.811  -2.323   9.522
  304    HB   THR 167           HB       THR 167  -8.856  -4.913  10.724
  305    HG1  THR 167           HG1      THR 167  -8.413  -5.390   8.436
  306   1HG2  THR 167          HG21      THR 167 -10.650  -4.329   8.314
  307   2HG2  THR 167          HG22      THR 167 -10.540  -5.828   9.264
  308   3HG2  THR 167          HG23      THR 167 -11.310  -4.412   9.957
  309    H    HIS 168           H        HIS 168  -9.288  -0.690  11.746
  310    HA   HIS 168           HA       HIS 168 -11.456  -1.728  13.526
  311   1HB   HIS 168          HB2       HIS 168  -8.885  -0.386  14.469
  312   2HB   HIS 168          HB3       HIS 168 -10.292  -0.682  15.486
  313    HD1  HIS 168           HD1      HIS 168  -7.119  -2.299  14.587
  314    HD2  HIS 168           HD2      HIS 168 -11.071  -3.574  15.320
  315    HE1  HIS 168           HE1      HIS 168  -6.959  -4.717  15.201
  316    HE2  HIS 168           HE2      HIS 168  -9.363  -5.558  15.649
  317    H    CYS 169           H        CYS 169 -10.212   1.041  11.794
  318    HA   CYS 169           HA       CYS 169 -11.357   3.052  13.439
  319   1HB   CYS 169          HB2       CYS 169 -10.633   3.223  10.488
  320   2HB   CYS 169          HB3       CYS 169 -10.664   4.531  11.682
  321    HG   CYS 169           HG       CYS 169  -8.219   4.270  11.430
  322    HA   PRO 170           HA       PRO 170 -15.620   2.561  12.280
  323   1HB   PRO 170          HB2       PRO 170 -16.498   5.221  12.887
  324   2HB   PRO 170          HB3       PRO 170 -16.580   3.742  13.880
  325   1HG   PRO 170          HG2       PRO 170 -14.548   5.944  13.939
  326   2HG   PRO 170          HG3       PRO 170 -15.104   4.890  15.266
  327   1HD   PRO 170          HD2       PRO 170 -12.697   4.556  14.053
  328   2HD   PRO 170          HD3       PRO 170 -13.646   3.171  14.649
  329    H    ASP 171           H        ASP 171 -15.483   5.396   9.339
  330    HA   ASP 171           HA       ASP 171 -14.601   6.500  11.871
  331   1HB   ASP 171          HB2       ASP 171 -12.675   5.017  10.828
  332   2HB   ASP 171          HB3       ASP 171 -12.549   6.266   9.635
  333    H    VAL 172           H        VAL 172 -12.929   8.461  10.296
  334    HA   VAL 172           HA       VAL 172 -14.587  10.319   8.934
  335    HB   VAL 172           HB       VAL 172 -11.702   9.452   8.466
  336   1HG1  VAL 172          HG11      VAL 172 -13.173  11.828   7.234
  337   2HG1  VAL 172          HG12      VAL 172 -11.410  11.610   7.229
  338   3HG1  VAL 172          HG13      VAL 172 -12.430  10.467   6.360
  339   1HG2  VAL 172          HG21      VAL 172 -12.178  10.554  10.656
  340   2HG2  VAL 172          HG22      VAL 172 -11.173  11.574   9.622
  341   3HG2  VAL 172          HG23      VAL 172 -12.905  11.927   9.799
  342    H    CYS 173           H        CYS 173 -15.326  10.487   6.913
  343    HA   CYS 173           HA       CYS 173 -16.735   8.529   5.939
  344   1HB   CYS 173          HB2       CYS 173 -15.557  10.835   4.319
  345   2HB   CYS 173          HB3       CYS 173 -17.005   9.932   3.847
  346    HG   CYS 173           HG       CYS 173 -17.657  12.260   4.818
  347    HA   PRO 174           HA       PRO 174 -14.195   5.688   3.456
  348   1HB   PRO 174          HB2       PRO 174 -16.187   4.350   2.122
  349   2HB   PRO 174          HB3       PRO 174 -15.776   4.056   3.839
  350   1HG   PRO 174          HG2       PRO 174 -17.965   5.839   2.728
  351   2HG   PRO 174          HG3       PRO 174 -18.095   4.600   4.020
  352   1HD   PRO 174          HD2       PRO 174 -17.795   7.228   4.600
  353   2HD   PRO 174          HD3       PRO 174 -16.968   5.980   5.583
  354    H    GLU 175           H        GLU 175 -16.300   8.175   2.302
  355    HA   GLU 175           HA       GLU 175 -15.762   8.582  -0.379
  356   1HB   GLU 175          HB2       GLU 175 -17.050   9.887   1.433
  357   2HB   GLU 175          HB3       GLU 175 -15.484  10.505   1.946
  358   1HG   GLU 175          HG2       GLU 175 -15.365  11.328  -0.598
  359   2HG   GLU 175          HG3       GLU 175 -17.121  11.160  -0.490
  360    H    GLU 176           H        GLU 176 -13.374   8.779   2.368
  361    HA   GLU 176           HA       GLU 176 -11.255   9.871   0.647
  362   1HB   GLU 176          HB2       GLU 176 -11.320   8.688   3.439
  363   2HB   GLU 176          HB3       GLU 176  -9.798   9.024   2.621
  364   1HG   GLU 176          HG2       GLU 176 -11.935  11.129   3.134
  365   2HG   GLU 176          HG3       GLU 176 -10.523  10.845   4.155
  366    H    LEU 177           H        LEU 177 -12.241   6.587   1.692
  367    HA   LEU 177           HA       LEU 177 -10.048   5.253   0.302
  368   1HB   LEU 177          HB2       LEU 177 -12.680   4.389   1.531
  369   2HB   LEU 177          HB3       LEU 177 -11.935   3.341   0.348
  370    HG   LEU 177           HG       LEU 177 -11.428   2.709   2.654
  371   1HD1  LEU 177          HD11      LEU 177  -8.922   3.543   1.132
  372   2HD1  LEU 177          HD12      LEU 177  -9.051   2.279   2.366
  373   3HD1  LEU 177          HD13      LEU 177  -9.890   2.086   0.818
  374   1HD2  LEU 177          HD21      LEU 177 -11.313   4.981   3.664
  375   2HD2  LEU 177          HD22      LEU 177  -9.915   3.967   4.069
  376   3HD2  LEU 177          HD23      LEU 177  -9.753   5.245   2.851
  377    H    GLU 178           H        GLU 178 -13.308   6.375  -0.656
  378    HA   GLU 178           HA       GLU 178 -13.190   5.319  -3.306
  379   1HB   GLU 178          HB2       GLU 178 -15.190   6.447  -2.072
  380   2HB   GLU 178          HB3       GLU 178 -14.473   7.970  -2.619
  381   1HG   GLU 178          HG2       GLU 178 -14.408   6.530  -4.960
  382   2HG   GLU 178          HG3       GLU 178 -15.789   5.760  -4.181
  383    H    LYS 179           H        LYS 179 -12.144   8.576  -2.031
  384    HA   LYS 179           HA       LYS 179 -10.944   9.464  -4.450
  385   1HB   LYS 179          HB2       LYS 179 -10.374  10.106  -1.541
  386   2HB   LYS 179          HB3       LYS 179  -9.493  10.869  -2.867
  387   1HG   LYS 179          HG2       LYS 179 -11.640  11.661  -3.854
  388   2HG   LYS 179          HG3       LYS 179 -12.520  10.943  -2.517
  389   1HD   LYS 179          HD2       LYS 179 -10.573  12.537  -1.233
  390   2HD   LYS 179          HD3       LYS 179 -10.992  13.465  -2.669
  391   1HE   LYS 179          HE2       LYS 179 -12.480  14.215  -0.972
  392   2HE   LYS 179          HE3       LYS 179 -13.466  13.160  -1.997
  393   1HZ   LYS 179          HZ1       LYS 179 -12.158  12.365   0.541
  394   2HZ   LYS 179          HZ2       LYS 179 -13.757  12.764   0.368
  395   3HZ   LYS 179          HZ3       LYS 179 -13.152  11.408  -0.360
  396    H    MET 180           H        MET 180  -9.648   7.124  -2.140
  397    HA   MET 180           HA       MET 180  -7.057   6.933  -3.462
  398   1HB   MET 180          HB2       MET 180  -7.549   6.194  -1.116
  399   2HB   MET 180          HB3       MET 180  -8.451   4.822  -1.761
  400   1HG   MET 180          HG2       MET 180  -5.589   5.337  -2.588
  401   2HG   MET 180          HG3       MET 180  -5.969   4.523  -1.080
  402   1HE   MET 180          HE1       MET 180  -4.283   2.839  -1.959
  403   2HE   MET 180          HE2       MET 180  -4.523   1.746  -3.330
  404   3HE   MET 180          HE3       MET 180  -4.178   3.465  -3.622
  405    H    ILE 181           H        ILE 181 -10.248   5.348  -4.073
  406    HA   ILE 181           HA       ILE 181  -9.150   3.393  -5.962
  407    HB   ILE 181           HB       ILE 181 -11.964   4.501  -5.526
  408   1HG1  ILE 181          HG12      ILE 181 -11.403   3.175  -3.638
  409   2HG1  ILE 181          HG13      ILE 181 -12.465   2.234  -4.649
  410   1HG2  ILE 181          HG21      ILE 181 -11.089   2.286  -7.399
  411   2HG2  ILE 181          HG22      ILE 181 -12.775   2.635  -6.921
  412   3HG2  ILE 181          HG23      ILE 181 -11.863   3.828  -7.819
  413   1HD1  ILE 181          HD11      ILE 181  -9.470   1.887  -4.262
  414   2HD1  ILE 181          HD12      ILE 181 -10.772   0.766  -3.828
  415   3HD1  ILE 181          HD13      ILE 181 -10.373   1.036  -5.535
  416    H    GLN 182           H        GLN 182 -10.747   6.592  -6.265
  417    HA   GLN 182           HA       GLN 182 -10.919   6.567  -9.040
  418   1HB   GLN 182          HB2       GLN 182 -10.380   9.029  -7.408
  419   2HB   GLN 182          HB3       GLN 182 -11.299   8.871  -8.928
  420   1HG   GLN 182          HG2       GLN 182 -13.004   7.608  -7.290
  421   2HG   GLN 182          HG3       GLN 182 -12.139   8.537  -6.092
  422   1HE2  GLN 182          HE22      GLN 182 -14.964   9.190  -6.727
  423   2HE2  GLN 182          HE21      GLN 182 -14.845  10.846  -7.262
  424    H    VAL 183           H        VAL 183  -7.984   6.905  -7.256
  425    HA   VAL 183           HA       VAL 183  -6.486   8.590  -9.103
  426    HB   VAL 183           HB       VAL 183  -5.601   6.524  -7.052
  427   1HG1  VAL 183          HG11      VAL 183  -3.823   8.384  -8.690
  428   2HG1  VAL 183          HG12      VAL 183  -3.309   7.443  -7.270
  429   3HG1  VAL 183          HG13      VAL 183  -3.816   6.603  -8.723
  430   1HG2  VAL 183          HG21      VAL 183  -6.570   8.579  -6.100
  431   2HG2  VAL 183          HG22      VAL 183  -4.841   8.494  -5.771
  432   3HG2  VAL 183          HG23      VAL 183  -5.447   9.573  -7.049
  433    H    VAL 184           H        VAL 184  -7.342   5.106  -8.928
  434    HA   VAL 184           HA       VAL 184  -5.376   4.451 -11.066
  435    HB   VAL 184           HB       VAL 184  -7.446   2.721  -9.658
  436   1HG1  VAL 184          HG11      VAL 184  -5.310   1.934 -11.703
  437   2HG1  VAL 184          HG12      VAL 184  -6.243   0.797 -10.707
  438   3HG1  VAL 184          HG13      VAL 184  -7.072   1.789 -11.908
  439   1HG2  VAL 184          HG21      VAL 184  -5.607   3.360  -8.180
  440   2HG2  VAL 184          HG22      VAL 184  -5.333   1.694  -8.700
  441   3HG2  VAL 184          HG23      VAL 184  -4.406   2.999  -9.441
  442    H    ASP 185           H        ASP 185  -8.963   4.881 -10.746
  443    HA   ASP 185           HA       ASP 185  -9.634   4.517 -13.455
  444   1HB   ASP 185          HB2       ASP 185 -10.751   6.592 -11.526
  445   2HB   ASP 185          HB3       ASP 185 -11.535   5.961 -12.970
  446    H    GLU 186           H        GLU 186  -8.432   7.477 -11.800
  447    HA   GLU 186           HA       GLU 186  -8.324   9.078 -14.198
  448   1HB   GLU 186          HB2       GLU 186  -8.717   9.874 -11.885
  449   2HB   GLU 186          HB3       GLU 186  -7.015   9.599 -11.498
  450   1HG   GLU 186          HG2       GLU 186  -6.321  11.392 -12.853
  451   2HG   GLU 186          HG3       GLU 186  -7.749  11.282 -13.895
  452    H    ILE 187           H        ILE 187  -6.626   6.520 -13.819
  453    HA   ILE 187           HA       ILE 187  -4.177   7.556 -15.204
  454    HB   ILE 187           HB       ILE 187  -4.429   5.701 -12.835
  455   1HG1  ILE 187          HG12      ILE 187  -2.568   8.011 -13.575
  456   2HG1  ILE 187          HG13      ILE 187  -3.984   8.128 -12.542
  457   1HG2  ILE 187          HG21      ILE 187  -1.985   5.687 -14.636
  458   2HG2  ILE 187          HG22      ILE 187  -2.182   4.858 -13.071
  459   3HG2  ILE 187          HG23      ILE 187  -3.137   4.343 -14.437
  460   1HD1  ILE 187          HD11      ILE 187  -1.403   6.702 -11.913
  461   2HD1  ILE 187          HD12      ILE 187  -2.107   8.119 -11.120
  462   3HD1  ILE 187          HD13      ILE 187  -2.885   6.534 -10.938
  463    H    ASP 188           H        ASP 188  -5.842   4.390 -14.635
  464    HA   ASP 188           HA       ASP 188  -4.873   3.478 -17.221
  465   1HB   ASP 188          HB2       ASP 188  -5.077   2.000 -15.260
  466   2HB   ASP 188          HB3       ASP 188  -6.835   2.188 -15.300
  467    H    SER 189           H        SER 189  -8.009   4.760 -16.074
  468    HA   SER 189           HA       SER 189  -9.425   4.111 -18.552
  469   1HB   SER 189          HB2       SER 189 -10.376   4.712 -16.173
  470   2HB   SER 189          HB3       SER 189 -10.220   6.388 -16.747
  471    HG   SER 189           HG       SER 189 -12.268   5.461 -17.214
  472    H    ILE 190           H        ILE 190  -7.344   6.727 -17.472
  473    HA   ILE 190           HA       ILE 190  -7.754   8.479 -19.758
  474    HB   ILE 190           HB       ILE 190  -5.322   8.189 -17.948
  475   1HG1  ILE 190          HG12      ILE 190  -7.231   8.681 -16.559
  476   2HG1  ILE 190          HG13      ILE 190  -6.216  10.103 -16.692
  477   1HG2  ILE 190          HG21      ILE 190  -6.107  10.422 -19.849
  478   2HG2  ILE 190          HG22      ILE 190  -4.911  10.604 -18.546
  479   3HG2  ILE 190          HG23      ILE 190  -4.616   9.455 -19.842
  480   1HD1  ILE 190          HD11      ILE 190  -8.862   9.660 -18.138
  481   2HD1  ILE 190          HD12      ILE 190  -8.557  10.730 -16.762
  482   3HD1  ILE 190          HD13      ILE 190  -7.818  11.092 -18.331
  483    H    THR 191           H        THR 191  -6.500   5.381 -19.580
  484    HA   THR 191           HA       THR 191  -6.047   3.899 -21.198
  485    HB   THR 191           HB       THR 191  -6.627   6.228 -23.067
  486    HG1  THR 191           HG1      THR 191  -8.328   5.489 -21.602
  487   1HG2  THR 191          HG21      THR 191  -6.498   3.226 -23.593
  488   2HG2  THR 191          HG22      THR 191  -7.175   4.438 -24.700
  489   3HG2  THR 191          HG23      THR 191  -5.447   4.468 -24.320
  490    H    THR 192           H        THR 192  -4.378   6.907 -21.766
  491    HA   THR 192           HA       THR 192  -2.035   5.973 -23.091
  492    HB   THR 192           HB       THR 192  -2.647   8.455 -21.419
  493    HG1  THR 192           HG1      THR 192  -3.830   8.440 -23.243
  494   1HG2  THR 192          HG21      THR 192  -0.374   8.152 -23.416
  495   2HG2  THR 192          HG22      THR 192  -0.810   9.587 -22.484
  496   3HG2  THR 192          HG23      THR 192  -0.148   8.183 -21.645
  497    H    LEU 193           H        LEU 193  -2.401   6.955 -19.633
  498    HA   LEU 193           HA       LEU 193   0.249   6.289 -18.930
  499   1HB   LEU 193          HB2       LEU 193  -2.303   6.860 -17.410
  500   2HB   LEU 193          HB3       LEU 193  -0.899   6.290 -16.541
  501    HG   LEU 193           HG       LEU 193   0.434   8.192 -17.340
  502   1HD1  LEU 193          HD11      LEU 193  -2.174   9.155 -18.600
  503   2HD1  LEU 193          HD12      LEU 193  -0.746  10.176 -18.333
  504   3HD1  LEU 193          HD13      LEU 193  -0.641   8.808 -19.438
  505   1HD2  LEU 193          HD21      LEU 193  -0.741   8.272 -15.185
  506   2HD2  LEU 193          HD22      LEU 193  -0.676   9.879 -15.922
  507   3HD2  LEU 193          HD23      LEU 193  -2.185   8.944 -15.978
  508    HA   PRO 194           HA       PRO 194   0.387   1.934 -18.341
  509   1HB   PRO 194          HB2       PRO 194   2.094   1.596 -16.244
  510   2HB   PRO 194          HB3       PRO 194   2.624   2.193 -17.849
  511   1HG   PRO 194          HG2       PRO 194   1.930   3.828 -15.387
  512   2HG   PRO 194          HG3       PRO 194   3.382   3.967 -16.434
  513   1HD   PRO 194          HD2       PRO 194   1.242   5.589 -16.751
  514   2HD   PRO 194          HD3       PRO 194   2.145   4.979 -18.172
  515    H    ASP 195           H        ASP 195  -0.224   0.129 -16.887
  516    HA   ASP 195           HA       ASP 195  -2.439   0.964 -15.181
  517   1HB   ASP 195          HB2       ASP 195  -2.502  -0.965 -16.867
  518   2HB   ASP 195          HB3       ASP 195  -1.577  -1.891 -15.680
  519    H    LEU 196           H        LEU 196  -2.642   0.549 -13.050
  520    HA   LEU 196           HA       LEU 196  -0.080   0.436 -11.502
  521   1HB   LEU 196          HB2       LEU 196  -0.720   2.747 -12.157
  522   2HB   LEU 196          HB3       LEU 196  -2.339   2.491 -11.526
  523    HG   LEU 196           HG       LEU 196  -1.335   2.230  -9.203
  524   1HD1  LEU 196          HD11      LEU 196   1.166   3.277 -10.612
  525   2HD1  LEU 196          HD12      LEU 196   0.957   3.115  -8.857
  526   3HD1  LEU 196          HD13      LEU 196   0.972   1.672  -9.875
  527   1HD2  LEU 196          HD21      LEU 196  -2.384   4.318  -9.976
  528   2HD2  LEU 196          HD22      LEU 196  -1.000   4.660  -8.926
  529   3HD2  LEU 196          HD23      LEU 196  -0.837   4.836 -10.685
  530    H    THR 197           H        THR 197  -0.411  -1.417 -10.291
  531    HA   THR 197           HA       THR 197  -2.991  -2.211  -9.309
  532    HB   THR 197           HB       THR 197  -0.183  -3.148  -8.644
  533    HG1  THR 197           HG1      THR 197  -0.667  -4.599 -10.153
  534   1HG2  THR 197          HG21      THR 197  -2.893  -4.306  -7.836
  535   2HG2  THR 197          HG22      THR 197  -1.358  -5.203  -7.775
  536   3HG2  THR 197          HG23      THR 197  -1.594  -3.790  -6.734
  537    HA   PRO 198           HA       PRO 198  -2.570   0.044  -5.380
  538   1HB   PRO 198          HB2       PRO 198  -5.191   0.085  -4.632
  539   2HB   PRO 198          HB3       PRO 198  -4.510   1.232  -5.829
  540   1HG   PRO 198          HG2       PRO 198  -6.223  -1.164  -6.300
  541   2HG   PRO 198          HG3       PRO 198  -6.170   0.344  -7.207
  542   1HD   PRO 198          HD2       PRO 198  -4.864  -2.128  -7.841
  543   2HD   PRO 198          HD3       PRO 198  -4.601  -0.556  -8.632
  544    H    LEU 199           H        LEU 199  -1.858  -1.093  -3.729
  545    HA   LEU 199           HA       LEU 199  -2.817  -3.885  -3.309
  546   1HB   LEU 199          HB2       LEU 199  -0.593  -3.566  -4.480
  547   2HB   LEU 199          HB3       LEU 199   0.000  -2.748  -3.045
  548    HG   LEU 199           HG       LEU 199  -0.491  -4.872  -1.718
  549   1HD1  LEU 199          HD11      LEU 199  -1.062  -5.928  -4.526
  550   2HD1  LEU 199          HD12      LEU 199  -0.721  -6.958  -3.131
  551   3HD1  LEU 199          HD13      LEU 199  -2.152  -5.934  -3.112
  552   1HD2  LEU 199          HD21      LEU 199   1.783  -4.398  -2.470
  553   2HD2  LEU 199          HD22      LEU 199   1.456  -6.126  -2.598
  554   3HD2  LEU 199          HD23      LEU 199   1.441  -5.116  -4.062
  555    H    PHE 200           H        PHE 200  -4.182  -3.577  -1.566
  556    HA   PHE 200           HA       PHE 200  -3.403  -1.865   0.679
  557   1HB   PHE 200          HB2       PHE 200  -5.700  -1.817   0.005
  558   2HB   PHE 200          HB3       PHE 200  -5.817  -3.572   0.055
  559    HD1  PHE 200           HD1      PHE 200  -7.591  -3.936   1.539
  560    HD2  PHE 200           HD2      PHE 200  -4.388  -1.304   2.749
  561    HE1  PHE 200           HE1      PHE 200  -8.484  -3.894   3.847
  562    HE2  PHE 200           HE2      PHE 200  -5.248  -1.337   5.059
  563    HZ   PHE 200           HZ       PHE 200  -7.296  -2.625   5.626
  564    H    ILE 201           H        ILE 201  -2.385  -2.419   2.417
  565    HA   ILE 201           HA       ILE 201  -2.410  -5.225   3.473
  566    HB   ILE 201           HB       ILE 201  -0.212  -3.102   3.532
  567   1HG1  ILE 201          HG12      ILE 201  -0.170  -5.914   2.365
  568   2HG1  ILE 201          HG13      ILE 201  -0.419  -4.455   1.408
  569   1HG2  ILE 201          HG21      ILE 201  -0.328  -5.809   4.948
  570   2HG2  ILE 201          HG22      ILE 201   1.120  -4.785   4.846
  571   3HG2  ILE 201          HG23      ILE 201  -0.281  -4.215   5.725
  572   1HD1  ILE 201          HD11      ILE 201   2.111  -5.212   2.895
  573   2HD1  ILE 201          HD12      ILE 201   1.856  -5.097   1.150
  574   3HD1  ILE 201          HD13      ILE 201   1.825  -3.625   2.134
  575    H    SER 202           H        SER 202  -3.201  -5.385   5.560
  576    HA   SER 202           HA       SER 202  -3.804  -2.855   7.014
  577   1HB   SER 202          HB2       SER 202  -5.620  -4.547   6.677
  578   2HB   SER 202          HB3       SER 202  -4.732  -5.627   7.772
  579    HG   SER 202           HG       SER 202  -6.393  -4.146   8.712
  580    H    ILE 203           H        ILE 203  -2.311  -2.168   8.470
  581    HA   ILE 203           HA       ILE 203  -0.208  -4.043   9.408
  582    HB   ILE 203           HB       ILE 203   0.947  -2.058  10.215
  583   1HG1  ILE 203          HG12      ILE 203  -1.285  -0.355   9.026
  584   2HG1  ILE 203          HG13      ILE 203  -1.149  -0.698  10.753
  585   1HG2  ILE 203          HG21      ILE 203  -0.058  -1.729   7.354
  586   2HG2  ILE 203          HG22      ILE 203   1.492  -1.186   8.003
  587   3HG2  ILE 203          HG23      ILE 203   1.165  -2.912   7.871
  588   1HD1  ILE 203          HD11      ILE 203   0.891   0.786   9.050
  589   2HD1  ILE 203          HD12      ILE 203  -0.181   1.471  10.277
  590   3HD1  ILE 203          HD13      ILE 203   1.112   0.359  10.766
  591    H    ASP 204           H        ASP 204  -2.907  -4.281  10.333
  592    HA   ASP 204           HA       ASP 204  -2.818  -3.561  13.224
  593   1HB   ASP 204          HB2       ASP 204  -4.167  -2.284  11.464
  594   2HB   ASP 204          HB3       ASP 204  -5.146  -3.723  11.254
  595    HA   PRO 205           HA       PRO 205  -3.563  -8.142  12.187
  596   1HB   PRO 205          HB2       PRO 205  -1.350  -9.452  13.001
  597   2HB   PRO 205          HB3       PRO 205  -1.322  -8.370  11.590
  598   1HG   PRO 205          HG2       PRO 205  -0.559  -7.646  14.452
  599   2HG   PRO 205          HG3       PRO 205   0.442  -7.455  12.974
  600   1HD   PRO 205          HD2       PRO 205  -1.081  -5.401  13.919
  601   2HD   PRO 205          HD3       PRO 205  -0.883  -5.722  12.174
  602    H    GLU 206           H        GLU 206  -5.029  -7.179  14.098
  603    HA   GLU 206           HA       GLU 206  -4.717  -8.596  16.660
  604   1HB   GLU 206          HB2       GLU 206  -5.584  -6.336  16.535
  605   2HB   GLU 206          HB3       GLU 206  -6.864  -6.832  15.446
  606   1HG   GLU 206          HG2       GLU 206  -6.733  -8.138  18.169
  607   2HG   GLU 206          HG3       GLU 206  -7.184  -6.439  18.099
  608    H    ARG 207           H        ARG 207  -6.754  -8.872  13.737
  609    HA   ARG 207           HA       ARG 207  -7.649 -11.588  14.368
  610   1HB   ARG 207          HB2       ARG 207  -8.814 -10.026  15.940
  611   2HB   ARG 207          HB3       ARG 207  -9.602  -9.260  14.582
  612   1HG   ARG 207          HG2       ARG 207 -11.212 -10.828  14.562
  613   2HG   ARG 207          HG3       ARG 207 -10.063 -12.170  14.594
  614   1HD   ARG 207          HD2       ARG 207 -10.681 -10.564  17.108
  615   2HD   ARG 207          HD3       ARG 207 -11.698 -11.902  16.579
  616    HE   ARG 207           HE       ARG 207  -9.874 -13.431  16.770
  617   1HH1  ARG 207          HH11      ARG 207  -8.968 -10.269  18.181
  618   2HH1  ARG 207          HH12      ARG 207  -7.520 -10.922  18.815
  619   1HH2  ARG 207          HH21      ARG 207  -8.043 -14.176  17.791
  620   2HH2  ARG 207          HH22      ARG 207  -7.074 -13.072  18.729
  621    H    ASP 208           H        ASP 208  -7.319  -9.083  11.975
  622    HA   ASP 208           HA       ASP 208  -9.549  -9.800  10.352
  623   1HB   ASP 208          HB2       ASP 208  -8.196  -7.630  10.378
  624   2HB   ASP 208          HB3       ASP 208  -7.035  -8.456   9.340
  625    H    THR 209           H        THR 209  -9.469 -10.663   8.156
  626    HA   THR 209           HA       THR 209  -7.628 -12.998   7.850
  627    HB   THR 209           HB       THR 209 -10.665 -13.055   7.839
  628    HG1  THR 209           HG1      THR 209  -9.108 -13.259   9.780
  629   1HG2  THR 209          HG21      THR 209  -8.725 -15.306   7.154
  630   2HG2  THR 209          HG22      THR 209 -10.448 -15.522   7.523
  631   3HG2  THR 209          HG23      THR 209  -9.975 -14.613   6.090
  632    H    LYS 210           H        LYS 210  -7.364 -13.722   5.821
  633    HA   LYS 210           HA       LYS 210  -7.119 -12.033   3.644
  634   1HB   LYS 210          HB2       LYS 210  -6.038 -14.198   3.867
  635   2HB   LYS 210          HB3       LYS 210  -7.602 -15.011   3.878
  636   1HG   LYS 210          HG2       LYS 210  -7.859 -13.952   1.462
  637   2HG   LYS 210          HG3       LYS 210  -6.103 -13.788   1.549
  638   1HD   LYS 210          HD2       LYS 210  -5.824 -16.175   1.678
  639   2HD   LYS 210          HD3       LYS 210  -7.515 -16.413   2.184
  640   1HE   LYS 210          HE2       LYS 210  -8.085 -15.238  -0.091
  641   2HE   LYS 210          HE3       LYS 210  -6.458 -15.728  -0.566
  642   1HZ   LYS 210          HZ1       LYS 210  -8.740 -17.376   0.332
  643   2HZ   LYS 210          HZ2       LYS 210  -8.054 -17.394  -1.182
  644   3HZ   LYS 210          HZ3       LYS 210  -7.246 -18.031   0.115
  645    H    GLU 211           H        GLU 211  -9.925 -14.286   3.992
  646    HA   GLU 211           HA       GLU 211 -11.359 -13.217   1.807
  647   1HB   GLU 211          HB2       GLU 211 -12.138 -14.905   4.208
  648   2HB   GLU 211          HB3       GLU 211 -13.312 -14.414   2.997
  649   1HG   GLU 211          HG2       GLU 211 -12.587 -16.612   2.446
  650   2HG   GLU 211          HG3       GLU 211 -12.019 -15.493   1.211
  651    H    ALA 212           H        ALA 212 -11.287 -11.961   5.147
  652    HA   ALA 212           HA       ALA 212 -13.719 -10.340   4.790
  653   1HB   ALA 212          HB1       ALA 212 -11.474 -10.310   6.846
  654   2HB   ALA 212          HB2       ALA 212 -12.901  -9.267   6.902
  655   3HB   ALA 212          HB3       ALA 212 -13.084 -11.031   7.033
  656    H    ILE 213           H        ILE 213 -10.189  -9.707   4.786
  657    HA   ILE 213           HA       ILE 213 -10.149  -7.131   3.617
  658    HB   ILE 213           HB       ILE 213  -8.334  -9.549   3.327
  659   1HG1  ILE 213          HG12      ILE 213  -8.430  -8.438   5.546
  660   2HG1  ILE 213          HG13      ILE 213  -6.844  -8.434   4.806
  661   1HG2  ILE 213          HG21      ILE 213  -7.865  -6.813   2.092
  662   2HG2  ILE 213          HG22      ILE 213  -6.594  -8.026   2.368
  663   3HG2  ILE 213          HG23      ILE 213  -7.930  -8.387   1.276
  664   1HD1  ILE 213          HD11      ILE 213  -8.707  -6.039   4.943
  665   2HD1  ILE 213          HD12      ILE 213  -7.238  -6.311   5.893
  666   3HD1  ILE 213          HD13      ILE 213  -7.103  -6.060   4.156
  667    H    ALA 214           H        ALA 214 -10.365 -10.247   1.786
  668    HA   ALA 214           HA       ALA 214 -10.516  -9.186  -0.781
  669   1HB   ALA 214          HB1       ALA 214 -12.172 -11.546   0.228
  670   2HB   ALA 214          HB2       ALA 214 -11.545 -11.289  -1.409
  671   3HB   ALA 214          HB3       ALA 214 -10.431 -11.648  -0.076
  672    H    ASN 215           H        ASN 215 -13.227  -9.481   1.520
  673    HA   ASN 215           HA       ASN 215 -15.228  -8.488  -0.327
  674   1HB   ASN 215          HB2       ASN 215 -15.177  -8.932   2.663
  675   2HB   ASN 215          HB3       ASN 215 -16.527  -8.131   1.857
  676   1HD2  ASN 215          HD22      ASN 215 -14.871 -11.273   2.232
  677   2HD2  ASN 215          HD21      ASN 215 -16.156 -12.166   1.437
  678    H    TYR 216           H        TYR 216 -13.569  -6.827   2.458
  679    HA   TYR 216           HA       TYR 216 -14.537  -4.228   1.916
  680   1HB   TYR 216          HB2       TYR 216 -11.848  -5.167   2.994
  681   2HB   TYR 216          HB3       TYR 216 -12.314  -3.477   2.926
  682    HD1  TYR 216           HD1      TYR 216 -12.016  -6.058   5.165
  683    HD2  TYR 216           HD2      TYR 216 -14.871  -3.075   3.906
  684    HE1  TYR 216           HE1      TYR 216 -13.019  -6.076   7.428
  685    HE2  TYR 216           HE2      TYR 216 -15.917  -3.132   6.160
  686    HH   TYR 216           HH       TYR 216 -14.634  -5.181   8.788
  687    H    VAL 217           H        VAL 217 -11.758  -5.866   0.451
  688    HA   VAL 217           HA       VAL 217 -10.772  -3.744  -1.145
  689    HB   VAL 217           HB       VAL 217 -10.657  -6.757  -1.331
  690   1HG1  VAL 217          HG11      VAL 217  -9.567  -4.826  -3.374
  691   2HG1  VAL 217          HG12      VAL 217  -8.827  -6.409  -3.077
  692   3HG1  VAL 217          HG13      VAL 217 -10.504  -6.305  -3.636
  693   1HG2  VAL 217          HG21      VAL 217  -9.332  -5.424   0.403
  694   2HG2  VAL 217          HG22      VAL 217  -8.392  -6.475  -0.662
  695   3HG2  VAL 217          HG23      VAL 217  -8.429  -4.724  -0.930
  696    H    LYS 218           H        LYS 218 -13.139  -6.347  -2.195
  697    HA   LYS 218           HA       LYS 218 -13.362  -4.974  -4.737
  698   1HB   LYS 218          HB2       LYS 218 -14.085  -6.823  -5.589
  699   2HB   LYS 218          HB3       LYS 218 -13.559  -7.576  -4.107
  700   1HG   LYS 218          HG2       LYS 218 -16.422  -6.723  -4.757
  701   2HG   LYS 218          HG3       LYS 218 -15.759  -8.340  -4.968
  702   1HD   LYS 218          HD2       LYS 218 -15.353  -8.525  -2.534
  703   2HD   LYS 218          HD3       LYS 218 -16.038  -6.899  -2.320
  704   1HE   LYS 218          HE2       LYS 218 -18.132  -7.705  -3.457
  705   2HE   LYS 218          HE3       LYS 218 -17.504  -9.368  -3.351
  706   1HZ   LYS 218          HZ1       LYS 218 -17.963  -7.495  -1.097
  707   2HZ   LYS 218          HZ2       LYS 218 -18.996  -8.664  -1.484
  708   3HZ   LYS 218          HZ3       LYS 218 -17.506  -9.056  -0.889
  709    H    GLU 219           H        GLU 219 -15.127  -4.639  -1.792
  710    HA   GLU 219           HA       GLU 219 -17.553  -3.532  -2.694
  711   1HB   GLU 219          HB2       GLU 219 -15.912  -3.717  -0.214
  712   2HB   GLU 219          HB3       GLU 219 -16.805  -2.242  -0.325
  713   1HG   GLU 219          HG2       GLU 219 -18.112  -3.887   0.882
  714   2HG   GLU 219          HG3       GLU 219 -18.909  -3.484  -0.643
  715    H    PHE 220           H        PHE 220 -14.455  -1.813  -1.847
  716    HA   PHE 220           HA       PHE 220 -15.449   0.639  -3.046
  717   1HB   PHE 220          HB2       PHE 220 -12.584  -0.063  -2.339
  718   2HB   PHE 220          HB3       PHE 220 -13.285   1.548  -2.518
  719    HD1  PHE 220           HD1      PHE 220 -12.104  -0.584  -0.104
  720    HD2  PHE 220           HD2      PHE 220 -15.675   1.671  -0.995
  721    HE1  PHE 220           HE1      PHE 220 -12.813  -0.761   2.261
  722    HE2  PHE 220           HE2      PHE 220 -16.384   1.478   1.369
  723    HZ   PHE 220           HZ       PHE 220 -14.984   0.193   2.976
  724    H    SER 221           H        SER 221 -13.274  -1.972  -4.315
  725    HA   SER 221           HA       SER 221 -14.302  -1.355  -6.914
  726   1HB   SER 221          HB2       SER 221 -12.649   0.449  -6.856
  727   2HB   SER 221          HB3       SER 221 -11.358  -0.728  -6.544
  728    HG   SER 221           HG       SER 221 -11.894   0.026  -8.828
  729    HA   PRO 222           HA       PRO 222 -12.880  -5.618  -7.260
  730   1HB   PRO 222          HB2       PRO 222 -13.790  -6.243  -9.754
  731   2HB   PRO 222          HB3       PRO 222 -14.887  -5.997  -8.361
  732   1HG   PRO 222          HG2       PRO 222 -14.111  -3.971 -10.489
  733   2HG   PRO 222          HG3       PRO 222 -15.762  -4.418  -9.942
  734   1HD   PRO 222          HD2       PRO 222 -14.450  -2.252  -8.947
  735   2HD   PRO 222          HD3       PRO 222 -15.499  -3.258  -7.901
  736    H    LYS 223           H        LYS 223 -11.435  -2.927  -8.827
  737    HA   LYS 223           HA       LYS 223  -9.460  -4.677 -10.203
  738   1HB   LYS 223          HB2       LYS 223 -10.462  -2.377 -11.106
  739   2HB   LYS 223          HB3       LYS 223  -9.181  -1.680 -10.101
  740   1HG   LYS 223          HG2       LYS 223  -7.556  -3.269 -11.306
  741   2HG   LYS 223          HG3       LYS 223  -8.900  -3.729 -12.350
  742   1HD   LYS 223          HD2       LYS 223  -9.050  -1.337 -13.125
  743   2HD   LYS 223          HD3       LYS 223  -7.640  -0.964 -12.097
  744   1HE   LYS 223          HE2       LYS 223  -6.369  -2.797 -13.285
  745   2HE   LYS 223          HE3       LYS 223  -7.735  -2.999 -14.386
  746   1HZ   LYS 223          HZ1       LYS 223  -6.033  -0.575 -14.111
  747   2HZ   LYS 223          HZ2       LYS 223  -5.946  -1.636 -15.263
  748   3HZ   LYS 223          HZ3       LYS 223  -7.280  -0.712 -15.218
  749    H    LEU 224           H        LEU 224  -9.885  -3.597  -7.036
  750    HA   LEU 224           HA       LEU 224  -7.038  -3.011  -6.576
  751   1HB   LEU 224          HB2       LEU 224  -8.870  -1.625  -5.646
  752   2HB   LEU 224          HB3       LEU 224  -9.420  -2.960  -4.664
  753    HG   LEU 224           HG       LEU 224  -6.544  -2.096  -4.354
  754   1HD1  LEU 224          HD11      LEU 224  -8.848  -0.508  -3.168
  755   2HD1  LEU 224          HD12      LEU 224  -7.121  -0.267  -2.837
  756   3HD1  LEU 224          HD13      LEU 224  -7.757   0.063  -4.454
  757   1HD2  LEU 224          HD21      LEU 224  -7.451  -3.949  -2.979
  758   2HD2  LEU 224          HD22      LEU 224  -6.908  -2.577  -2.009
  759   3HD2  LEU 224          HD23      LEU 224  -8.645  -2.823  -2.292
  760    H    VAL 225           H        VAL 225  -5.624  -4.123  -5.269
  761    HA   VAL 225           HA       VAL 225  -6.277  -7.016  -4.855
  762    HB   VAL 225           HB       VAL 225  -3.553  -5.710  -5.189
  763   1HG1  VAL 225          HG11      VAL 225  -4.312  -8.674  -5.040
  764   2HG1  VAL 225          HG12      VAL 225  -2.693  -8.028  -5.360
  765   3HG1  VAL 225          HG13      VAL 225  -3.440  -7.781  -3.783
  766   1HG2  VAL 225          HG21      VAL 225  -4.794  -5.735  -7.325
  767   2HG2  VAL 225          HG22      VAL 225  -3.487  -6.922  -7.357
  768   3HG2  VAL 225          HG23      VAL 225  -5.162  -7.458  -7.107
  769    H    GLY 226           H        GLY 226  -6.048  -7.915  -2.865
  770   1HA   GLY 226          HA1       GLY 226  -5.272  -6.157  -0.547
  771   2HA   GLY 226          HA2       GLY 226  -6.482  -7.447  -0.493
  772    H    LEU 227           H        LEU 227  -4.152  -7.100   1.158
  773    HA   LEU 227           HA       LEU 227  -2.861  -9.760   0.784
  774   1HB   LEU 227          HB2       LEU 227  -1.682  -7.063   0.864
  775   2HB   LEU 227          HB3       LEU 227  -1.077  -8.048   2.182
  776    HG   LEU 227           HG       LEU 227  -0.243  -9.735   0.674
  777   1HD1  LEU 227          HD11      LEU 227  -1.596  -8.116  -1.491
  778   2HD1  LEU 227          HD12      LEU 227  -0.231  -9.212  -1.848
  779   3HD1  LEU 227          HD13      LEU 227  -1.715  -9.848  -1.151
  780   1HD2  LEU 227          HD21      LEU 227   1.141  -7.702   1.174
  781   2HD2  LEU 227          HD22      LEU 227   1.522  -8.427  -0.395
  782   3HD2  LEU 227          HD23      LEU 227   0.530  -6.953  -0.312
  783    H    THR 228           H        THR 228  -2.491 -10.982   2.585
  784    HA   THR 228           HA       THR 228  -2.729  -9.946   5.313
  785    HB   THR 228           HB       THR 228  -4.546 -12.281   4.692
  786    HG1  THR 228           HG1      THR 228  -5.030  -9.562   4.232
  787   1HG2  THR 228          HG21      THR 228  -4.494 -10.089   6.826
  788   2HG2  THR 228          HG22      THR 228  -5.819 -11.246   6.635
  789   3HG2  THR 228          HG23      THR 228  -4.214 -11.829   7.064
  790    H    GLY 229           H        GLY 229  -2.198 -11.795   6.925
  791   1HA   GLY 229          HA1       GLY 229  -0.825 -14.141   5.864
  792   2HA   GLY 229          HA2       GLY 229   0.250 -12.853   6.368
  793    H    THR 230           H        THR 230   0.789 -14.920   7.723
  794    HA   THR 230           HA       THR 230  -0.485 -15.189  10.285
  795    HB   THR 230           HB       THR 230   2.478 -15.514   9.791
  796    HG1  THR 230           HG1      THR 230   1.709 -16.582   8.060
  797   1HG2  THR 230          HG21      THR 230   0.440 -17.197  11.326
  798   2HG2  THR 230          HG22      THR 230   2.200 -17.440  11.295
  799   3HG2  THR 230          HG23      THR 230   1.524 -15.997  12.057
  800    H    ARG 231           H        ARG 231   0.199 -14.177  12.139
  801    HA   ARG 231           HA       ARG 231   0.326 -11.368  12.030
  802   1HB   ARG 231          HB2       ARG 231  -0.511 -12.638  13.935
  803   2HB   ARG 231          HB3       ARG 231   1.110 -13.176  14.363
  804   1HG   ARG 231          HG2       ARG 231   0.622 -10.201  14.111
  805   2HG   ARG 231          HG3       ARG 231  -0.140 -11.029  15.453
  806   1HD   ARG 231          HD2       ARG 231   2.658 -11.836  15.280
  807   2HD   ARG 231          HD3       ARG 231   2.543 -10.084  15.262
  808    HE   ARG 231           HE       ARG 231   1.021 -10.335  17.275
  809   1HH1  ARG 231          HH11      ARG 231   3.551 -12.805  16.756
  810   2HH1  ARG 231          HH12      ARG 231   3.750 -13.060  18.450
  811   1HH2  ARG 231          HH21      ARG 231   1.204 -10.867  19.410
  812   2HH2  ARG 231          HH22      ARG 231   2.423 -11.995  19.933
  813    H    GLU 232           H        GLU 232   3.022 -13.623  12.507
  814    HA   GLU 232           HA       GLU 232   5.158 -11.828  12.772
  815   1HB   GLU 232          HB2       GLU 232   4.956 -14.637  11.616
  816   2HB   GLU 232          HB3       GLU 232   6.486 -13.824  11.928
  817   1HG   GLU 232          HG2       GLU 232   5.883 -15.392  13.736
  818   2HG   GLU 232          HG3       GLU 232   6.084 -13.733  14.297
  819    H    GLU 233           H        GLU 233   3.489 -12.811   9.791
  820    HA   GLU 233           HA       GLU 233   5.514 -11.806   7.938
  821   1HB   GLU 233          HB2       GLU 233   2.536 -12.202   7.455
  822   2HB   GLU 233          HB3       GLU 233   3.807 -12.080   6.249
  823   1HG   GLU 233          HG2       GLU 233   4.696 -14.250   6.819
  824   2HG   GLU 233          HG3       GLU 233   3.663 -14.373   8.253
  825    H    VAL 234           H        VAL 234   2.514 -10.606   9.401
  826    HA   VAL 234           HA       VAL 234   2.509  -8.019   8.144
  827    HB   VAL 234           HB       VAL 234   1.183  -8.761  10.779
  828   1HG1  VAL 234          HG11      VAL 234   0.734  -6.484   8.782
  829   2HG1  VAL 234          HG12      VAL 234  -0.362  -6.867  10.119
  830   3HG1  VAL 234          HG13      VAL 234   1.281  -6.323  10.466
  831   1HG2  VAL 234          HG21      VAL 234   0.417 -10.279   9.002
  832   2HG2  VAL 234          HG22      VAL 234  -0.849  -9.109   9.376
  833   3HG2  VAL 234          HG23      VAL 234   0.135  -8.901   7.917
  834    H    ASP 235           H        ASP 235   3.733  -9.195  11.314
  835    HA   ASP 235           HA       ASP 235   4.982  -6.844  12.267
  836   1HB   ASP 235          HB2       ASP 235   4.566  -9.027  13.459
  837   2HB   ASP 235          HB3       ASP 235   5.898  -9.730  12.544
  838    H    GLN 236           H        GLN 236   6.257  -9.330   9.866
  839    HA   GLN 236           HA       GLN 236   8.797  -8.102   9.615
  840   1HB   GLN 236          HB2       GLN 236   8.009 -10.392   8.829
  841   2HB   GLN 236          HB3       GLN 236   7.275  -9.616   7.462
  842   1HG   GLN 236          HG2       GLN 236   9.409  -8.722   6.776
  843   2HG   GLN 236          HG3       GLN 236  10.183  -9.519   8.144
  844   1HE2  GLN 236          HE22      GLN 236   8.872  -9.967   4.904
  845   2HE2  GLN 236          HE21      GLN 236   8.677 -11.724   5.035
  846    H    VAL 237           H        VAL 237   5.918  -7.831   7.440
  847    HA   VAL 237           HA       VAL 237   7.233  -5.885   5.786
  848    HB   VAL 237           HB       VAL 237   5.246  -7.116   5.048
  849   1HG1  VAL 237          HG11      VAL 237   3.582  -5.065   6.572
  850   2HG1  VAL 237          HG12      VAL 237   2.991  -6.327   5.473
  851   3HG1  VAL 237          HG13      VAL 237   3.770  -6.779   6.993
  852   1HG2  VAL 237          HG21      VAL 237   6.138  -5.086   3.847
  853   2HG2  VAL 237          HG22      VAL 237   4.415  -5.392   3.573
  854   3HG2  VAL 237          HG23      VAL 237   4.925  -4.106   4.684
  855    H    ALA 238           H        ALA 238   5.391  -5.398   8.776
  856    HA   ALA 238           HA       ALA 238   5.301  -2.539   8.688
  857   1HB   ALA 238          HB1       ALA 238   5.389  -4.456  11.069
  858   2HB   ALA 238          HB2       ALA 238   4.915  -2.743  11.125
  859   3HB   ALA 238          HB3       ALA 238   3.925  -3.905  10.226
  860    H    ARG 239           H        ARG 239   7.681  -4.817  10.100
  861    HA   ARG 239           HA       ARG 239   9.554  -2.831  10.991
  862   1HB   ARG 239          HB2       ARG 239   9.687  -5.820  10.497
  863   2HB   ARG 239          HB3       ARG 239  11.145  -4.905  10.886
  864   1HG   ARG 239          HG2       ARG 239  10.250  -4.132  12.977
  865   2HG   ARG 239          HG3       ARG 239   8.664  -4.849  12.626
  866   1HD   ARG 239          HD2       ARG 239   9.387  -7.024  12.931
  867   2HD   ARG 239          HD3       ARG 239  11.070  -6.647  12.583
  868    HE   ARG 239           HE       ARG 239  11.066  -5.368  14.795
  869   1HH1  ARG 239          HH11      ARG 239   8.715  -7.935  14.504
  870   2HH1  ARG 239          HH12      ARG 239   9.010  -8.601  16.024
  871   1HH2  ARG 239          HH21      ARG 239  11.305  -6.118  16.910
  872   2HH2  ARG 239          HH22      ARG 239  10.437  -7.539  17.423
  873    H    ALA 240           H        ALA 240   9.766  -4.992   8.074
  874    HA   ALA 240           HA       ALA 240  12.274  -3.943   7.227
  875   1HB   ALA 240          HB1       ALA 240  10.079  -5.422   5.691
  876   2HB   ALA 240          HB2       ALA 240  11.745  -5.192   5.130
  877   3HB   ALA 240          HB3       ALA 240  11.425  -6.163   6.583
  878    H    TYR 241           H        TYR 241   9.094  -3.378   5.603
  879    HA   TYR 241           HA       TYR 241  10.113  -1.113   4.122
  880   1HB   TYR 241          HB2       TYR 241   7.491  -2.502   4.435
  881   2HB   TYR 241          HB3       TYR 241   7.402  -0.812   4.023
  882    HD1  TYR 241           HD1      TYR 241   9.176  -3.971   2.889
  883    HD2  TYR 241           HD2      TYR 241   7.489  -0.155   1.805
  884    HE1  TYR 241           HE1      TYR 241   9.477  -4.522   0.480
  885    HE2  TYR 241           HE2      TYR 241   7.806  -0.700  -0.595
  886    HH   TYR 241           HH       TYR 241   9.278  -3.745  -1.768
  887    H    ARG 242           H        ARG 242   9.463  -1.388   7.342
  888    HA   ARG 242           HA       ARG 242   9.408   0.009   9.106
  889   1HB   ARG 242          HB2       ARG 242  11.504   0.468   7.924
  890   2HB   ARG 242          HB3       ARG 242  10.784   1.834   7.111
  891   1HG   ARG 242          HG2       ARG 242  10.683   1.765  10.139
  892   2HG   ARG 242          HG3       ARG 242  12.260   1.943   9.392
  893   1HD   ARG 242          HD2       ARG 242   9.946   3.899   9.157
  894   2HD   ARG 242          HD3       ARG 242  11.469   4.106   9.972
  895    HE   ARG 242           HE       ARG 242  12.638   4.195   7.890
  896   1HH1  ARG 242          HH11      ARG 242   9.130   4.061   7.304
  897   2HH1  ARG 242          HH12      ARG 242   9.308   4.641   5.681
  898   1HH2  ARG 242          HH21      ARG 242  12.750   4.922   5.769
  899   2HH2  ARG 242          HH22      ARG 242  11.287   5.066   4.833
  900    H    VAL 243           H        VAL 243   7.026  -0.141   8.474
  901    HA   VAL 243           HA       VAL 243   5.754   2.202   7.366
  902    HB   VAL 243           HB       VAL 243   4.892  -0.171   7.320
  903   1HG1  VAL 243          HG11      VAL 243   3.601   0.485  10.003
  904   2HG1  VAL 243          HG12      VAL 243   3.504  -1.023   9.078
  905   3HG1  VAL 243          HG13      VAL 243   5.032  -0.544   9.831
  906   1HG2  VAL 243          HG21      VAL 243   3.614   1.806   6.518
  907   2HG2  VAL 243          HG22      VAL 243   2.581   0.519   7.153
  908   3HG2  VAL 243          HG23      VAL 243   2.869   1.968   8.122
  909    H    TYR 244           H        TYR 244   6.558   1.374  10.617
  910    HA   TYR 244           HA       TYR 244   6.095   3.931  11.772
  911   1HB   TYR 244          HB2       TYR 244   3.779   3.546  11.831
  912   2HB   TYR 244          HB3       TYR 244   3.956   1.840  12.168
  913    HD1  TYR 244           HD1      TYR 244   5.125   5.015  13.923
  914    HD2  TYR 244           HD2      TYR 244   3.070   1.232  14.204
  915    HE1  TYR 244           HE1      TYR 244   4.721   5.411  16.344
  916    HE2  TYR 244           HE2      TYR 244   2.764   1.580  16.641
  917    HH   TYR 244           HH       TYR 244   3.824   4.532  18.351
  918    H    TYR 245           H        TYR 245   5.419   1.072  13.622
  919    HA   TYR 245           HA       TYR 245   6.496  -0.086  15.178
  920   1HB   TYR 245          HB2       TYR 245   7.850  -0.507  12.821
  921   2HB   TYR 245          HB3       TYR 245   9.167  -0.137  13.917
  922    HD1  TYR 245           HD1      TYR 245   6.582  -2.513  12.955
  923    HD2  TYR 245           HD2      TYR 245   9.363  -1.517  16.095
  924    HE1  TYR 245           HE1      TYR 245   6.263  -4.768  13.951
  925    HE2  TYR 245           HE2      TYR 245   9.005  -3.751  17.121
  926    HH   TYR 245           HH       TYR 245   7.075  -6.262  15.475
  927    H    SER 246           H        SER 246   6.543   2.849  15.614
  928    HA   SER 246           HA       SER 246   8.927   3.081  17.345
  929   1HB   SER 246          HB2       SER 246   7.924   4.967  15.953
  930   2HB   SER 246          HB3       SER 246   6.694   5.085  17.232
  931    HG   SER 246           HG       SER 246   8.409   5.285  18.730
  932    HA   PRO 247           HA       PRO 247   5.873   2.397  20.877
  933   1HB   PRO 247          HB2       PRO 247   4.560   0.044  20.978
  934   2HB   PRO 247          HB3       PRO 247   3.937   1.417  20.012
  935   1HG   PRO 247          HG2       PRO 247   5.506  -0.992  19.067
  936   2HG   PRO 247          HG3       PRO 247   4.048  -0.252  18.333
  937   1HD   PRO 247          HD2       PRO 247   6.699   0.243  17.618
  938   2HD   PRO 247          HD3       PRO 247   5.329   1.339  17.251
  939    H    GLY 248           H        GLY 248   8.040   0.022  22.648
  940   1HA   GLY 248          HA1       GLY 248   5.302   0.122  23.046
  941   2HA   GLY 248          HA2       GLY 248   6.522   0.452  24.266
  942    HA   PRO 249           HA       PRO 249   6.898   4.480  25.335
  943   1HB   PRO 249          HB2       PRO 249   5.610   5.519  22.799
  944   2HB   PRO 249          HB3       PRO 249   6.489   6.474  24.051
  945   1HG   PRO 249          HG2       PRO 249   7.819   5.342  21.930
  946   2HG   PRO 249          HG3       PRO 249   8.550   5.413  23.562
  947   1HD   PRO 249          HD2       PRO 249   7.658   3.067  22.087
  948   2HD   PRO 249          HD3       PRO 249   8.565   3.131  23.620
  949    H    LYS 250           H        LYS 250   5.199   2.578  26.026
  950    HA   LYS 250           HA       LYS 250   3.336   4.119  27.583
  951   1HB   LYS 250          HB2       LYS 250   2.258   1.824  25.883
  952   2HB   LYS 250          HB3       LYS 250   1.401   2.557  27.236
  953   1HG   LYS 250          HG2       LYS 250   2.160   3.980  24.656
  954   2HG   LYS 250          HG3       LYS 250   0.597   3.279  25.004
  955   1HD   LYS 250          HD2       LYS 250   0.088   4.847  26.722
  956   2HD   LYS 250          HD3       LYS 250   1.741   5.463  26.805
  957   1HE   LYS 250          HE2       LYS 250   0.116   5.622  24.235
  958   2HE   LYS 250          HE3       LYS 250  -0.013   6.856  25.489
  959   1HZ   LYS 250          HZ1       LYS 250   2.609   6.060  24.388
  960   2HZ   LYS 250          HZ2       LYS 250   1.704   7.251  23.705
  961   3HZ   LYS 250          HZ3       LYS 250   2.248   7.394  25.256
  962    H    ASP 251           H        ASP 251   4.806   1.627  29.765
  963    HA   ASP 251           HA       ASP 251   5.863   3.412  30.496
  964   1HB   ASP 251          HB2       ASP 251   5.507   4.856  27.871
  965   2HB   ASP 251          HB3       ASP 251   6.522   5.304  29.208
  966    H    GLU 252           H        GLU 252   4.200   6.067  29.066
  967    HA   GLU 252           HA       GLU 252   2.023   6.106  31.018
  968   1HB   GLU 252          HB2       GLU 252   4.020   6.629  32.412
  969   2HB   GLU 252          HB3       GLU 252   4.407   7.963  31.345
  970   1HG   GLU 252          HG2       GLU 252   3.396   8.986  33.168
  971   2HG   GLU 252          HG3       GLU 252   2.088   8.946  31.996
  972    H    ASP 253           H        ASP 253   3.611   9.058  29.926
  973    HA   ASP 253           HA       ASP 253   1.317  10.222  28.941
  974   1HB   ASP 253          HB2       ASP 253   3.442  11.315  29.699
  975   2HB   ASP 253          HB3       ASP 253   4.164  10.922  28.140
  976    H    GLU 254           H        GLU 254   0.826  11.136  26.824
  977    HA   GLU 254           HA       GLU 254   0.102   8.789  25.404
  978   1HB   GLU 254          HB2       GLU 254  -0.791  11.585  25.478
  979   2HB   GLU 254          HB3       GLU 254  -1.000  10.834  23.906
  980   1HG   GLU 254          HG2       GLU 254  -1.965   9.514  26.465
  981   2HG   GLU 254          HG3       GLU 254  -2.945  10.633  25.518
  982    H    ASP 255           H        ASP 255  -0.164   8.500  23.193
  983    HA   ASP 255           HA       ASP 255   0.904   9.133  20.907
  984   1HB   ASP 255          HB2       ASP 255   3.154   9.537  21.574
  985   2HB   ASP 255          HB3       ASP 255   3.310   7.904  22.232
  986    H    TYR 256           H        TYR 256  -0.309   5.778  20.273
  987    HA   TYR 256           HA       TYR 256  -2.071   7.602  21.079
  988   1HB   TYR 256          HB2       TYR 256  -0.270   9.132  19.271
  989   2HB   TYR 256          HB3       TYR 256  -1.925   9.133  18.790
  990    HD1  TYR 256           HD1      TYR 256   0.217  11.181  20.340
  991    HD2  TYR 256           HD2      TYR 256  -3.613   9.326  21.062
  992    HE1  TYR 256           HE1      TYR 256  -0.438  13.096  21.756
  993    HE2  TYR 256           HE2      TYR 256  -4.275  11.248  22.478
  994    HH   TYR 256           HH       TYR 256  -2.029  13.952  23.142
  995    H    ILE 257           H        ILE 257  -2.820   5.537  17.762
  996    HA   ILE 257           HA       ILE 257  -1.109   5.594  16.337
  997    HB   ILE 257           HB       ILE 257   0.347   7.357  18.281
  998   1HG1  ILE 257          HG12      ILE 257  -0.538   7.587  15.411
  999   2HG1  ILE 257          HG13      ILE 257  -1.230   8.371  16.793
 1000   1HG2  ILE 257          HG21      ILE 257   1.861   5.846  16.189
 1001   2HG2  ILE 257          HG22      ILE 257   2.368   7.363  16.907
 1002   3HG2  ILE 257          HG23      ILE 257   2.110   5.968  17.924
 1003   1HD1  ILE 257          HD11      ILE 257   1.482   8.956  15.557
 1004   2HD1  ILE 257          HD12      ILE 257   0.060  10.006  15.638
 1005   3HD1  ILE 257          HD13      ILE 257   0.950   9.619  17.123
 1006    H    VAL 258           H        VAL 258   0.737   2.735  17.368
 1007    HA   VAL 258           HA       VAL 258   0.245   2.011  15.403
 1008    HB   VAL 258           HB       VAL 258  -1.975   1.958  14.567
 1009   1HG1  VAL 258          HG11      VAL 258  -2.002   1.888  17.604
 1010   2HG1  VAL 258          HG12      VAL 258  -3.095   1.027  16.505
 1011   3HG1  VAL 258          HG13      VAL 258  -1.373   0.608  16.543
 1012   1HG2  VAL 258          HG21      VAL 258  -2.622   4.384  14.891
 1013   2HG2  VAL 258          HG22      VAL 258  -3.840   3.198  15.382
 1014   3HG2  VAL 258          HG23      VAL 258  -2.871   4.004  16.614
 1015    H    ASP 259           H        ASP 259   0.424   5.270  15.469
 1016    HA   ASP 259           HA       ASP 259   1.209   6.824  14.258
 1017   1HB   ASP 259          HB2       ASP 259   2.420   4.835  13.100
 1018   2HB   ASP 259          HB3       ASP 259   1.529   5.386  11.686
 1019    H    HIS 260           H        HIS 260   0.732   8.481  13.174
 1020    HA   HIS 260           HA       HIS 260  -1.823   8.745  11.664
 1021   1HB   HIS 260          HB2       HIS 260  -1.549  11.061  11.896
 1022   2HB   HIS 260          HB3       HIS 260  -1.128  10.406  13.471
 1023    HD1  HIS 260           HD1      HIS 260   2.097   9.801  12.641
 1024    HD2  HIS 260           HD2      HIS 260  -0.214  13.263  11.951
 1025    HE1  HIS 260           HE1      HIS 260   3.718  11.711  12.349
 1026    H    THR 261           H        THR 261   1.520   8.197  11.131
 1027    HA   THR 261           HA       THR 261   1.848   9.431   8.548
 1028    HB   THR 261           HB       THR 261   3.560   7.267   9.827
 1029    HG1  THR 261           HG1      THR 261   3.702   8.728  11.289
 1030   1HG2  THR 261          HG21      THR 261   4.124   9.429   7.760
 1031   2HG2  THR 261          HG22      THR 261   5.397   8.599   8.684
 1032   3HG2  THR 261          HG23      THR 261   4.354   7.663   7.619
 1033    H    ILE 262           H        ILE 262  -0.385   8.321   8.171
 1034    HA   ILE 262           HA       ILE 262  -0.412   5.589   7.166
 1035    HB   ILE 262           HB       ILE 262  -2.334   7.889   6.638
 1036   1HG1  ILE 262          HG12      ILE 262  -2.511   5.634   8.696
 1037   2HG1  ILE 262          HG13      ILE 262  -2.100   7.302   9.072
 1038   1HG2  ILE 262          HG21      ILE 262  -2.773   4.883   6.325
 1039   2HG2  ILE 262          HG22      ILE 262  -3.933   6.171   5.936
 1040   3HG2  ILE 262          HG23      ILE 262  -2.478   5.990   4.970
 1041   1HD1  ILE 262          HD11      ILE 262  -4.777   6.314   8.046
 1042   2HD1  ILE 262          HD12      ILE 262  -4.392   7.019   9.622
 1043   3HD1  ILE 262          HD13      ILE 262  -4.326   8.036   8.172
 1044    H    ILE 263           H        ILE 263   1.428   5.504   5.874
 1045    HA   ILE 263           HA       ILE 263   1.579   7.251   3.503
 1046    HB   ILE 263           HB       ILE 263   3.864   6.231   3.221
 1047   1HG1  ILE 263          HG12      ILE 263   3.312   5.041   5.979
 1048   2HG1  ILE 263          HG13      ILE 263   3.609   4.163   4.481
 1049   1HG2  ILE 263          HG21      ILE 263   3.165   7.816   5.714
 1050   2HG2  ILE 263          HG22      ILE 263   4.784   7.727   4.979
 1051   3HG2  ILE 263          HG23      ILE 263   3.450   8.447   4.087
 1052   1HD1  ILE 263          HD11      ILE 263   5.577   5.847   6.062
 1053   2HD1  ILE 263          HD12      ILE 263   5.633   4.112   5.725
 1054   3HD1  ILE 263          HD13      ILE 263   5.900   5.277   4.407
 1055    H    MET 264           H        MET 264   1.345   6.791   1.494
 1056    HA   MET 264           HA       MET 264   1.000   3.952   0.654
 1057   1HB   MET 264          HB2       MET 264  -0.993   5.413   0.460
 1058   2HB   MET 264          HB3       MET 264  -0.075   6.521  -0.571
 1059   1HG   MET 264          HG2       MET 264   0.132   4.831  -2.291
 1060   2HG   MET 264          HG3       MET 264  -0.488   3.574  -1.218
 1061   1HE   MET 264          HE1       MET 264  -1.344   6.795  -3.281
 1062   2HE   MET 264          HE2       MET 264  -3.089   6.972  -3.002
 1063   3HE   MET 264          HE3       MET 264  -1.955   7.301  -1.680
 1064    H    TYR 265           H        TYR 265   2.846   3.249  -0.147
 1065    HA   TYR 265           HA       TYR 265   4.878   5.098  -1.271
 1066   1HB   TYR 265          HB2       TYR 265   4.826   2.230  -0.353
 1067   2HB   TYR 265          HB3       TYR 265   5.977   2.670  -1.597
 1068    HD1  TYR 265           HD1      TYR 265   7.414   4.803  -1.214
 1069    HD2  TYR 265           HD2      TYR 265   5.543   2.535   1.932
 1070    HE1  TYR 265           HE1      TYR 265   9.071   5.694   0.394
 1071    HE2  TYR 265           HE2      TYR 265   7.208   3.419   3.563
 1072    HH   TYR 265           HH       TYR 265   9.702   5.791   2.511
 1073    H    LEU 266           H        LEU 266   5.132   5.525  -3.364
 1074    HA   LEU 266           HA       LEU 266   3.818   3.862  -5.455
 1075   1HB   LEU 266          HB2       LEU 266   3.747   6.364  -5.650
 1076   2HB   LEU 266          HB3       LEU 266   5.509   6.374  -5.619
 1077    HG   LEU 266           HG       LEU 266   5.525   5.001  -7.741
 1078   1HD1  LEU 266          HD11      LEU 266   2.540   5.631  -7.746
 1079   2HD1  LEU 266          HD12      LEU 266   3.456   4.976  -9.116
 1080   3HD1  LEU 266          HD13      LEU 266   3.270   4.015  -7.647
 1081   1HD2  LEU 266          HD21      LEU 266   5.907   7.394  -7.817
 1082   2HD2  LEU 266          HD22      LEU 266   4.924   6.915  -9.204
 1083   3HD2  LEU 266          HD23      LEU 266   4.164   7.721  -7.808
 1084    H    ILE 267           H        ILE 267   4.858   2.258  -6.337
 1085    HA   ILE 267           HA       ILE 267   7.838   1.987  -6.035
 1086    HB   ILE 267           HB       ILE 267   5.650  -0.074  -6.334
 1087   1HG1  ILE 267          HG12      ILE 267   5.405   0.753  -4.127
 1088   2HG1  ILE 267          HG13      ILE 267   6.175  -0.816  -4.038
 1089   1HG2  ILE 267          HG21      ILE 267   8.620  -0.521  -5.873
 1090   2HG2  ILE 267          HG22      ILE 267   7.373  -1.778  -5.809
 1091   3HG2  ILE 267          HG23      ILE 267   7.685  -0.937  -7.323
 1092   1HD1  ILE 267          HD11      ILE 267   7.512   1.886  -3.645
 1093   2HD1  ILE 267          HD12      ILE 267   7.201   0.647  -2.429
 1094   3HD1  ILE 267          HD13      ILE 267   8.399   0.340  -3.697
 1095    H    GLY 268           H        GLY 268   9.035   1.725  -7.817
 1096   1HA   GLY 268          HA1       GLY 268   7.773   2.051 -10.478
 1097   2HA   GLY 268          HA2       GLY 268   9.517   2.087 -10.114
 1098    HA   PRO 269           HA       PRO 269   7.589  -2.178 -11.343
 1099   1HB   PRO 269          HB2       PRO 269   7.865  -2.345 -14.079
 1100   2HB   PRO 269          HB3       PRO 269   6.486  -1.533 -13.288
 1101   1HG   PRO 269          HG2       PRO 269   9.033  -0.252 -14.293
 1102   2HG   PRO 269          HG3       PRO 269   7.341   0.216 -14.674
 1103   1HD   PRO 269          HD2       PRO 269   8.707   1.491 -12.734
 1104   2HD   PRO 269          HD3       PRO 269   6.994   1.038 -12.461
 1105    H    ASP 270           H        ASP 270  10.689  -0.794 -11.823
 1106    HA   ASP 270           HA       ASP 270  12.145  -3.237 -12.550
 1107   1HB   ASP 270          HB2       ASP 270  13.069  -1.150 -13.236
 1108   2HB   ASP 270          HB3       ASP 270  12.758  -0.390 -11.681
 1109    H    GLY 271           H        GLY 271  11.188  -1.507  -9.597
 1110   1HA   GLY 271          HA1       GLY 271  12.979  -3.196  -7.911
 1111   2HA   GLY 271          HA2       GLY 271  13.439  -1.567  -8.306
 1112    H    GLU 272           H        GLU 272  12.939  -0.064  -6.882
 1113    HA   GLU 272           HA       GLU 272  11.133  -0.796  -4.620
 1114   1HB   GLU 272          HB2       GLU 272  13.765  -0.732  -4.454
 1115   2HB   GLU 272          HB3       GLU 272  13.532   1.003  -4.265
 1116   1HG   GLU 272          HG2       GLU 272  12.132   0.615  -2.274
 1117   2HG   GLU 272          HG3       GLU 272  12.105  -1.120  -2.586
 1118    H    PHE 273           H        PHE 273  11.648   1.977  -3.465
 1119    HA   PHE 273           HA       PHE 273   9.192   2.987  -4.600
 1120   1HB   PHE 273          HB2       PHE 273   9.050   4.408  -2.735
 1121   2HB   PHE 273          HB3       PHE 273   9.587   2.843  -2.165
 1122    HD1  PHE 273           HD1      PHE 273  10.540   6.379  -2.723
 1123    HD2  PHE 273           HD2      PHE 273  11.822   2.574  -1.142
 1124    HE1  PHE 273           HE1      PHE 273  12.430   7.489  -1.575
 1125    HE2  PHE 273           HE2      PHE 273  13.718   3.680  -0.012
 1126    HZ   PHE 273           HZ       PHE 273  14.033   6.146  -0.219
 1127    H    LEU 274           H        LEU 274   8.762   5.218  -4.913
 1128    HA   LEU 274           HA       LEU 274  10.807   6.683  -6.529
 1129   1HB   LEU 274          HB2       LEU 274   9.170   4.897  -7.662
 1130   2HB   LEU 274          HB3       LEU 274   7.970   6.164  -7.487
 1131    HG   LEU 274           HG       LEU 274  10.577   6.271  -9.069
 1132   1HD1  LEU 274          HD11      LEU 274   7.660   6.273  -9.954
 1133   2HD1  LEU 274          HD12      LEU 274   9.078   6.317 -11.024
 1134   3HD1  LEU 274          HD13      LEU 274   8.762   4.880 -10.039
 1135   1HD2  LEU 274          HD21      LEU 274  10.214   8.537  -8.342
 1136   2HD2  LEU 274          HD22      LEU 274   9.650   8.437 -10.007
 1137   3HD2  LEU 274          HD23      LEU 274   8.469   8.432  -8.677
 1138    H    ASP 275           H        ASP 275   7.592   6.702  -5.017
 1139    HA   ASP 275           HA       ASP 275   7.827   9.495  -4.134
 1140   1HB   ASP 275          HB2       ASP 275   6.610   9.245  -6.453
 1141   2HB   ASP 275          HB3       ASP 275   5.286   8.562  -5.519
 1142    H    TYR 276           H        TYR 276   5.888   9.896  -2.586
 1143    HA   TYR 276           HA       TYR 276   4.598   7.639  -1.389
 1144   1HB   TYR 276          HB2       TYR 276   5.606   7.903   0.917
 1145   2HB   TYR 276          HB3       TYR 276   6.512   7.029  -0.289
 1146    HD1  TYR 276           HD1      TYR 276   6.424  10.126   1.726
 1147    HD2  TYR 276           HD2      TYR 276   8.617   7.842  -1.193
 1148    HE1  TYR 276           HE1      TYR 276   8.425  11.537   2.135
 1149    HE2  TYR 276           HE2      TYR 276  10.631   9.244  -0.785
 1150    HH   TYR 276           HH       TYR 276  10.591  12.000   1.492
 1151    H    PHE 277           H        PHE 277   2.718   8.266  -0.850
 1152    HA   PHE 277           HA       PHE 277   2.174  11.128  -0.239
 1153   1HB   PHE 277          HB2       PHE 277   0.215   8.932  -0.994
 1154   2HB   PHE 277          HB3       PHE 277  -0.040  10.672  -1.066
 1155    HD1  PHE 277           HD1      PHE 277   1.844  11.936  -2.587
 1156    HD2  PHE 277           HD2      PHE 277   0.745   7.795  -2.990
 1157    HE1  PHE 277           HE1      PHE 277   2.749  11.922  -4.899
 1158    HE2  PHE 277           HE2      PHE 277   1.651   7.788  -5.303
 1159    HZ   PHE 277           HZ       PHE 277   2.645   9.857  -6.255
 1160    H    GLY 278           H        GLY 278   1.895  11.640   1.897
 1161   1HA   GLY 278          HA1       GLY 278   1.170   9.482   3.845
 1162   2HA   GLY 278          HA2       GLY 278   2.048  10.971   4.204
 1163    H    GLN 279           H        GLN 279  -0.818   9.479   4.590
 1164    HA   GLN 279           HA       GLN 279  -2.712  10.036   5.688
 1165   1HB   GLN 279          HB2       GLN 279  -1.516  11.483   7.159
 1166   2HB   GLN 279          HB3       GLN 279  -1.418  12.770   5.965
 1167   1HG   GLN 279          HG2       GLN 279  -3.028  13.371   7.617
 1168   2HG   GLN 279          HG3       GLN 279  -3.849  13.143   6.085
 1169   1HE2  GLN 279          HE22      GLN 279  -5.116  10.988   5.824
 1170   2HE2  GLN 279          HE21      GLN 279  -5.830  10.419   7.332
 1171    H    ASN 280           H        ASN 280  -2.058  12.804   3.488
 1172    HA   ASN 280           HA       ASN 280  -4.122  11.959   1.668
 1173   1HB   ASN 280          HB2       ASN 280  -5.634  12.959   3.310
 1174   2HB   ASN 280          HB3       ASN 280  -4.700  14.453   3.316
 1175   1HD2  ASN 280          HD22      ASN 280  -7.494  12.931   1.936
 1176   2HD2  ASN 280          HD21      ASN 280  -7.673  14.074   0.644
 1177    H    LYS 281           H        LYS 281  -3.491  12.527  -0.266
 1178    HA   LYS 281           HA       LYS 281  -2.773  15.368  -0.666
 1179   1HB   LYS 281          HB2       LYS 281  -1.660  13.069  -2.348
 1180   2HB   LYS 281          HB3       LYS 281  -1.652  14.759  -2.836
 1181   1HG   LYS 281          HG2       LYS 281  -0.437  15.174  -0.520
 1182   2HG   LYS 281          HG3       LYS 281  -0.167  13.430  -0.554
 1183   1HD   LYS 281          HD2       LYS 281   1.768  14.112  -1.524
 1184   2HD   LYS 281          HD3       LYS 281   0.815  13.963  -2.996
 1185   1HE   LYS 281          HE2       LYS 281   1.212  16.546  -1.395
 1186   2HE   LYS 281          HE3       LYS 281   2.231  16.060  -2.759
 1187   1HZ   LYS 281          HZ1       LYS 281  -0.673  16.643  -2.938
 1188   2HZ   LYS 281          HZ2       LYS 281   0.516  17.584  -3.490
 1189   3HZ   LYS 281          HZ3       LYS 281   0.237  16.103  -4.175
 1190    H    ARG 282           H        ARG 282  -4.079  16.362  -2.271
 1191    HA   ARG 282           HA       ARG 282  -6.715  15.202  -2.354
 1192   1HB   ARG 282          HB2       ARG 282  -5.732  17.460  -4.133
 1193   2HB   ARG 282          HB3       ARG 282  -7.385  17.103  -3.668
 1194   1HG   ARG 282          HG2       ARG 282  -6.929  17.761  -1.341
 1195   2HG   ARG 282          HG3       ARG 282  -5.217  18.018  -1.720
 1196   1HD   ARG 282          HD2       ARG 282  -5.913  19.740  -3.443
 1197   2HD   ARG 282          HD3       ARG 282  -7.571  19.552  -2.884
 1198    HE   ARG 282           HE       ARG 282  -7.082  20.707  -0.926
 1199   1HH1  ARG 282          HH11      ARG 282  -4.004  20.086  -2.602
 1200   2HH1  ARG 282          HH12      ARG 282  -3.163  21.272  -1.656
 1201   1HH2  ARG 282          HH21      ARG 282  -5.910  22.184   0.287
 1202   2HH2  ARG 282          HH22      ARG 282  -4.213  22.403  -0.010
 1203    H    LYS 283           H        LYS 283  -7.429  13.677  -3.698
 1204    HA   LYS 283           HA       LYS 283  -6.257  11.887  -5.050
 1205   1HB   LYS 283          HB2       LYS 283  -8.568  11.915  -4.702
 1206   2HB   LYS 283          HB3       LYS 283  -8.862  13.226  -5.817
 1207   1HG   LYS 283          HG2       LYS 283  -7.849  10.518  -6.785
 1208   2HG   LYS 283          HG3       LYS 283  -9.550  10.832  -6.407
 1209   1HD   LYS 283          HD2       LYS 283  -9.384  12.862  -7.966
 1210   2HD   LYS 283          HD3       LYS 283  -7.874  12.108  -8.557
 1211   1HE   LYS 283          HE2       LYS 283  -9.007  10.251  -9.433
 1212   2HE   LYS 283          HE3       LYS 283 -10.443  10.597  -8.434
 1213   1HZ   LYS 283          HZ1       LYS 283  -9.611  12.356 -10.613
 1214   2HZ   LYS 283          HZ2       LYS 283 -10.698  11.176 -10.802
 1215   3HZ   LYS 283          HZ3       LYS 283 -11.036  12.390  -9.756
 1216    H    GLY 284           H        GLY 284  -7.192  14.596  -7.308
 1217   1HA   GLY 284          HA1       GLY 284  -5.748  13.493  -9.495
 1218   2HA   GLY 284          HA2       GLY 284  -6.322  15.163  -9.379
 1219    H    GLU 285           H        GLU 285  -4.481  15.386  -6.844
 1220    HA   GLU 285           HA       GLU 285  -2.050  16.342  -8.062
 1221   1HB   GLU 285          HB2       GLU 285  -2.569  15.420  -5.217
 1222   2HB   GLU 285          HB3       GLU 285  -1.189  16.363  -5.756
 1223   1HG   GLU 285          HG2       GLU 285  -2.534  18.299  -6.215
 1224   2HG   GLU 285          HG3       GLU 285  -4.038  17.410  -5.952
 1225    H    ILE 286           H        ILE 286  -3.094  13.131  -6.913
 1226    HA   ILE 286           HA       ILE 286  -0.347  12.038  -6.861
 1227    HB   ILE 286           HB       ILE 286  -3.075  10.679  -6.712
 1228   1HG1  ILE 286          HG12      ILE 286  -0.962  11.306  -4.585
 1229   2HG1  ILE 286          HG13      ILE 286  -2.489  12.163  -4.778
 1230   1HG2  ILE 286          HG21      ILE 286  -0.257   9.557  -6.442
 1231   2HG2  ILE 286          HG22      ILE 286  -1.727   8.671  -5.990
 1232   3HG2  ILE 286          HG23      ILE 286  -1.462   9.129  -7.664
 1233   1HD1  ILE 286          HD11      ILE 286  -2.166   9.280  -3.896
 1234   2HD1  ILE 286          HD12      ILE 286  -2.724  10.661  -2.947
 1235   3HD1  ILE 286          HD13      ILE 286  -3.726  10.055  -4.276
 1236    H    ALA 287           H        ALA 287  -3.067  12.177  -9.182
 1237    HA   ALA 287           HA       ALA 287  -1.705  10.689 -11.247
 1238   1HB   ALA 287          HB1       ALA 287  -3.901  12.805 -11.446
 1239   2HB   ALA 287          HB2       ALA 287  -3.362  11.735 -12.750
 1240   3HB   ALA 287          HB3       ALA 287  -4.134  11.047 -11.317
 1241    H    ALA 288           H        ALA 288  -1.736  14.201 -10.393
 1242    HA   ALA 288           HA       ALA 288   0.043  15.035 -12.446
 1243   1HB   ALA 288          HB1       ALA 288  -0.242  16.165  -9.628
 1244   2HB   ALA 288          HB2       ALA 288   0.416  16.998 -11.046
 1245   3HB   ALA 288          HB3       ALA 288  -1.304  16.554 -11.005
 1246    H    SER 289           H        SER 289   0.909  13.739  -9.162
 1247    HA   SER 289           HA       SER 289   3.761  13.763  -9.633
 1248   1HB   SER 289          HB2       SER 289   1.914  12.423  -7.750
 1249   2HB   SER 289          HB3       SER 289   3.324  11.448  -8.185
 1250    HG   SER 289           HG       SER 289   4.347  12.582  -6.826
 1251    H    ILE 290           H        ILE 290   1.421  11.065 -10.185
 1252    HA   ILE 290           HA       ILE 290   3.513   9.370 -11.218
 1253    HB   ILE 290           HB       ILE 290   0.484   9.108 -11.324
 1254   1HG1  ILE 290          HG12      ILE 290   2.607   7.790  -9.565
 1255   2HG1  ILE 290          HG13      ILE 290   1.627   9.156  -9.055
 1256   1HG2  ILE 290          HG21      ILE 290   2.639   7.052 -12.020
 1257   2HG2  ILE 290          HG22      ILE 290   0.919   6.676 -11.817
 1258   3HG2  ILE 290          HG23      ILE 290   1.424   7.727 -13.129
 1259   1HD1  ILE 290          HD11      ILE 290   0.678   6.339  -9.596
 1260   2HD1  ILE 290          HD12      ILE 290   0.656   7.244  -8.078
 1261   3HD1  ILE 290          HD13      ILE 290  -0.431   7.721  -9.392
 1262    H    ALA 291           H        ALA 291   1.285  11.518 -12.942
 1263    HA   ALA 291           HA       ALA 291   2.041  10.697 -15.590
 1264   1HB   ALA 291          HB1       ALA 291   1.038  13.386 -14.549
 1265   2HB   ALA 291          HB2       ALA 291   1.054  12.862 -16.248
 1266   3HB   ALA 291          HB3       ALA 291   0.014  12.031 -15.075
 1267    H    THR 292           H        THR 292   3.685  12.675 -13.181
 1268    HA   THR 292           HA       THR 292   5.612  13.836 -15.070
 1269    HB   THR 292           HB       THR 292   5.626  13.762 -12.023
 1270    HG1  THR 292           HG1      THR 292   3.979  15.031 -12.623
 1271   1HG2  THR 292          HG21      THR 292   7.261  15.374 -14.028
 1272   2HG2  THR 292          HG22      THR 292   7.201  15.659 -12.273
 1273   3HG2  THR 292          HG23      THR 292   7.883  14.150 -12.893
 1274    H    HIS 293           H        HIS 293   5.656  11.265 -12.575
 1275    HA   HIS 293           HA       HIS 293   8.284  10.323 -13.137
 1276   1HB   HIS 293          HB2       HIS 293   5.870   8.827 -12.027
 1277   2HB   HIS 293          HB3       HIS 293   7.561   8.342 -11.861
 1278    HD2  HIS 293           HD2      HIS 293   5.258   9.403  -9.547
 1279    HE1  HIS 293           HE1      HIS 293   8.394  12.126  -8.668
 1280    HE2  HIS 293           HE2      HIS 293   6.246  11.076  -7.781
 1281    H    MET 294           H        MET 294   5.185   9.401 -14.551
 1282    HA   MET 294           HA       MET 294   6.102   7.330 -16.330
 1283   1HB   MET 294          HB2       MET 294   3.813   7.608 -15.577
 1284   2HB   MET 294          HB3       MET 294   3.686   9.185 -16.332
 1285   1HG   MET 294          HG2       MET 294   4.165   6.605 -17.859
 1286   2HG   MET 294          HG3       MET 294   2.567   7.217 -17.443
 1287   1HE   MET 294          HE1       MET 294   3.393  10.564 -18.117
 1288   2HE   MET 294          HE2       MET 294   2.445  10.581 -19.609
 1289   3HE   MET 294          HE3       MET 294   1.799   9.781 -18.160
 1290    H    ARG 295           H        ARG 295   6.237  10.846 -16.552
 1291    HA   ARG 295           HA       ARG 295   6.141  11.198 -19.303
 1292   1HB   ARG 295          HB2       ARG 295   6.135  12.866 -17.375
 1293   2HB   ARG 295          HB3       ARG 295   7.888  12.879 -17.476
 1294   1HG   ARG 295          HG2       ARG 295   7.794  13.752 -19.751
 1295   2HG   ARG 295          HG3       ARG 295   6.026  13.526 -19.801
 1296   1HD   ARG 295          HD2       ARG 295   5.758  15.082 -17.902
 1297   2HD   ARG 295          HD3       ARG 295   7.515  15.332 -17.845
 1298    HE   ARG 295           HE       ARG 295   6.761  15.936 -20.455
 1299   1HH1  ARG 295          HH11      ARG 295   5.822  17.188 -17.289
 1300   2HH1  ARG 295          HH12      ARG 295   5.605  18.812 -17.870
 1301   1HH2  ARG 295          HH21      ARG 295   6.422  18.049 -21.180
 1302   2HH2  ARG 295          HH22      ARG 295   5.899  19.282 -20.075
 1303    HA   PRO 296           HA       PRO 296  10.599   9.814 -20.010
 1304   1HB   PRO 296          HB2       PRO 296  12.258   8.963 -18.042
 1305   2HB   PRO 296          HB3       PRO 296  12.047  10.702 -18.412
 1306   1HG   PRO 296          HG2       PRO 296  10.708   9.095 -16.211
 1307   2HG   PRO 296          HG3       PRO 296  11.518  10.686 -16.087
 1308   1HD   PRO 296          HD2       PRO 296   8.807  10.431 -16.381
 1309   2HD   PRO 296          HD3       PRO 296   9.724  11.796 -17.058
 1310    H    TYR 297           H        TYR 297   9.118   8.056 -17.193
 1311    HA   TYR 297           HA       TYR 297   9.804   5.469 -18.371
 1312   1HB   TYR 297          HB2       TYR 297   9.874   6.239 -15.874
 1313   2HB   TYR 297          HB3       TYR 297   8.180   5.827 -15.857
 1314    HD1  TYR 297           HD1      TYR 297   7.756   3.352 -17.142
 1315    HD2  TYR 297           HD2      TYR 297  11.385   4.646 -15.192
 1316    HE1  TYR 297           HE1      TYR 297   8.564   1.009 -17.094
 1317    HE2  TYR 297           HE2      TYR 297  12.178   2.288 -15.117
 1318    HH   TYR 297           HH       TYR 297  10.308  -0.386 -16.565
 1319    H    ARG 298           H        ARG 298   8.650   5.880 -20.254
 1320    HA   ARG 298           HA       ARG 298   6.287   7.008 -20.554
 1321   1HB   ARG 298          HB2       ARG 298   7.312   4.980 -22.547
 1322   2HB   ARG 298          HB3       ARG 298   6.302   6.398 -22.862
 1323   1HG   ARG 298          HG2       ARG 298   8.254   7.809 -21.927
 1324   2HG   ARG 298          HG3       ARG 298   9.228   6.335 -22.096
 1325   1HD   ARG 298          HD2       ARG 298   7.807   7.871 -24.299
 1326   2HD   ARG 298          HD3       ARG 298   9.541   7.734 -24.036
 1327    HE   ARG 298           HE       ARG 298   9.524   5.487 -24.796
 1328   1HH1  ARG 298          HH11      ARG 298   6.265   6.898 -25.140
 1329   2HH1  ARG 298          HH12      ARG 298   5.691   5.482 -25.989
 1330   1HH2  ARG 298          HH21      ARG 298   8.628   3.760 -26.038
 1331   2HH2  ARG 298          HH22      ARG 298   6.943   3.913 -26.526
 1332    H    LYS 299           H        LYS 299   4.481   6.520 -21.787
 1333    HA   LYS 299           HA       LYS 299   2.560   4.971 -20.436
 1334   1HB   LYS 299          HB2       LYS 299   1.105   6.289 -21.728
 1335   2HB   LYS 299          HB3       LYS 299   2.490   7.248 -21.519
 1336   1HG   LYS 299          HG2       LYS 299   2.091   7.732 -23.643
 1337   2HG   LYS 299          HG3       LYS 299   3.197   6.398 -23.911
 1338   1HD   LYS 299          HD2       LYS 299   1.394   4.958 -24.615
 1339   2HD   LYS 299          HD3       LYS 299   0.188   5.921 -23.780
 1340   1HE   LYS 299          HE2       LYS 299  -0.237   6.524 -25.966
 1341   2HE   LYS 299          HE3       LYS 299   0.838   7.827 -25.437
 1342   1HZ   LYS 299          HZ1       LYS 299   1.486   5.480 -27.106
 1343   2HZ   LYS 299          HZ2       LYS 299   1.692   7.065 -27.513
 1344   3HZ   LYS 299          HZ3       LYS 299   2.661   6.286 -26.394
 1345    H    LYS 300           H        LYS 300   0.708   3.820 -22.021
 1346    HA   LYS 300           HA       LYS 300   1.845   1.282 -22.818
 1347   1HB   LYS 300          HB2       LYS 300  -0.853   2.574 -22.463
 1348   2HB   LYS 300          HB3       LYS 300  -0.796   1.197 -23.504
 1349   1HG   LYS 300          HG2       LYS 300  -0.634  -0.291 -21.843
 1350   2HG   LYS 300          HG3       LYS 300   0.668   0.598 -21.055
 1351   1HD   LYS 300          HD2       LYS 300  -1.188   0.465 -19.524
 1352   2HD   LYS 300          HD3       LYS 300  -0.914   2.125 -20.071
 1353   1HE   LYS 300          HE2       LYS 300  -2.815   1.861 -21.683
 1354   2HE   LYS 300          HE3       LYS 300  -3.173   0.284 -20.958
 1355   1HZ   LYS 300          HZ1       LYS 300  -3.040   2.764 -19.338
 1356   2HZ   LYS 300          HZ2       LYS 300  -4.432   2.279 -20.052
 1357   3HZ   LYS 300          HZ3       LYS 300  -3.765   1.351 -18.915
 1358    H    SER 301           H        SER 301   3.225   2.714 -24.342
 1359    HA   SER 301           HA       SER 301   3.741   1.946 -26.678
 1360   1HB   SER 301          HB2       SER 301   2.648   3.328 -28.487
 1361   2HB   SER 301          HB3       SER 301   1.769   1.932 -27.865
 1362    HG   SER 301           HG       SER 301   0.476   3.177 -26.705