*HEADER    METAL TRANSPORT                         21-APR-06   2GQL              
*TITLE     SOLUTION STRUCTURE OF HUMAN NI(II)-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.PALUMAA, M.MARTINELLI, S.WANG, STRUCTURAL PROTEOMICS IN            
*AUTHOR   3 EUROPE (SPINE)                                                       
*REVDAT   1   06-JUN-06 2GQL    0                                                


#
#   5 LYS+ HN      5 LYS+ QG      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,

      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2=  63,  64,
 &end
#
#   5 LYS+ HN      5 LYS+ QD      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=  66,  67,
 &end
#
#   5 LYS+ HN      5 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=  69,  70,
 &end
#
#   5 LYS+ HA      5 LYS+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=  66,  67,
 &end
#
#   5 LYS+ HA      5 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=  69,  70,
 &end
#
#   5 LYS+ HB2     5 LYS+ QE      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=  69,  70,
 &end
#
#   5 LYS+ HB3     5 LYS+ QE      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=  69,  70,
 &end
#
#   5 LYS+ QB      5 LYS+ QE      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  60,  61,
 igr2=  69,  70,
 &end
#
#   6 PRO  HB2     7 LEU  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  92, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   6 PRO  HB3     7 LEU  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  92, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   7 LEU  HN      7 LEU  QB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=  96,  97,
 &end
#
#   7 LEU  HN      7 LEU  HG      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  99, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   7 LEU  HN      7 LEU  QD1     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 101, 102, 103,
 &end
#
#   7 LEU  HN      7 LEU  QD2     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 105, 106, 107,
 &end
#
#   7 LEU  HN      7 LEU  QQD     6.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr2= 105, 106, 107, 101, 102, 103,
 &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     8 LEU  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 111, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 LEU  HB3     8 LEU  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 111, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 LEU  QB      8 LEU  HN      4.77                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 111, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=  96,  97,
 &end
#
#   7 LEU  HG      8 LEU  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 111, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   8 LEU  HN      8 LEU  HG      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 118, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   8 LEU  HN      8 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 120, 121, 122,
 &end
#
#   8 LEU  HN      8 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 124, 125, 126,
 &end
#
#   8 LEU  HA      8 LEU  QD1     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 120, 121, 122,
 &end
#
#   8 LEU  HA      8 LEU  QD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 124, 125, 126,
 &end
#
#   8 LEU  HB2     9 GLY  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 LEU  HB3     9 GLY  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 130, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 LEU  QB      9 GLY  HN      4.49                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 115, 116,
 &end
#
#   8 LEU  HG      9 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 130, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &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
#
#   8 LEU  QQD     9 GLY  HN      6.99                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 124, 125, 126, 120, 121, 122,
 &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=1754,1755,1756,
 &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=1768,1777,
 &end
#
#   9 GLY  HN    113 TYR  QE      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
 igr2=1770,1775,
 &end
#
#   9 GLY  HA2   113 TYR  HH      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 132,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#   9 GLY  HA3   113 TYR  HH      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 133,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  10 GLY  HN     11 PRO  QD      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2= 145, 146,
 &end
#
#  10 GLY  HN    112 ALA  QB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2=1754,1755,1756,
 &end
#
#  10 GLY  HN    113 TYR  QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=1770,1775,
 &end
#
#  10 GLY  HN    113 TYR  HH      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,1773, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  11 PRO  HA     24 ASP- HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 349, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &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     6.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr2=1695,1696,
 &end
#
#  11 PRO  HB2    12 PHE  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 158, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  11 PRO  HB3    12 PHE  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 158, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  11 PRO  QB     12 PHE  HN      4.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 151, 152,
 &end
#
#  11 PRO  HG2   108 GLN  HE21    6.43                
 &rst
  ixpk= 0, nxpk= 0, iat= 148,1695, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,  &end
#
#  11 PRO  HG2   108 GLN  HE22    6.43                
 &rst
  ixpk= 0, nxpk= 0, iat= 148,1696, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,  &end
#
#  11 PRO  HG3   108 GLN  HE21    6.43                
 &rst
  ixpk= 0, nxpk= 0, iat= 149,1695, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,  &end
#
#  11 PRO  HG3   108 GLN  HE22    6.43                
 &rst
  ixpk= 0, nxpk= 0, iat= 149,1696, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,  &end
#
#  11 PRO  QG    108 GLN  QE2     5.25                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 148, 149,
 igr2=1695,1696,
 &end
#
#  11 PRO  HD2   108 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 145,1695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HD2   108 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 145,1696, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HD2   112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
#  11 PRO  HD3   108 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 146,1695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HD3   108 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 146,1696, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HD3   112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
#  11 PRO  QD    108 GLN  QE2     5.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 145, 146,
 igr2=1695,1696,
 &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     13 SER  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 178, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  12 PHE  HN     23 THR  HA      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 337, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  12 PHE  HN     23 THR  HB      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 339, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  12 PHE  HN     23 THR  QG2     7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2= 341, 342, 343,
 &end
#
#  12 PHE  HN     24 ASP- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &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      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 361, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  12 PHE  HA    108 GLN  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1687,1688,
 &end
#
#  12 PHE  HA    108 GLN  HE21    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1695, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  12 PHE  HA    108 GLN  HE22    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1696, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  12 PHE  HA    108 GLN  QE2     5.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1695,1696,
 &end
#
#  12 PHE  HA    109 VAL  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1702, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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=1695,1696,
 &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=1706,1707,1708,1710,1711,1712,
 &end
#
#  12 PHE  QD     13 SER  HN      7.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 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     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      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     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= 166, 174,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  12 PHE  QD     73 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= 166, 174,
 igr2=1147,1148,1149,
 &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=1560,1561,1562,1556,1557,1558,
 &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=1706,1707,1708,1710,1711,1712,
 &end
#
#  12 PHE  QD    113 TYR  QE     10.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86,
 igr1= 166, 174,
 igr2=1770,1775,
 &end
#
#  12 PHE  QD    113 TYR  HH      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QE     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= 168, 172,
 &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      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 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     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= 168, 172,
 &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      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     24 ASP- HA      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     25 LYS+ HN      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     27 TYR  QD      9.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
 igr1= 168, 172,
 igr2= 403, 412,
 &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=1108,1109,1110,1104,1105,1106,
 &end
#
#  12 PHE  QE     73 ILE  QG1     9.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.47, r4=11.97,
 igr1= 168, 172,
 igr2=1144,1145,
 &end
#
#  12 PHE  QE     73 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= 168, 172,
 igr2=1147,1148,1149,
 &end
#
#  12 PHE  QE     99 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= 168, 172,
 igr2=1556,1557,1558,
 &end
#
#  12 PHE  QE     99 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= 168, 172,
 igr2=1560,1561,1562,
 &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=1706,1707,1708,1710,1711,1712,
 &end
#
#  12 PHE  QE    113 TYR  HH      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  HZ     22 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HZ     24 ASP- HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  12 PHE  HZ     25 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HZ     32 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= 496, 497, 498, 492, 493, 494,
 &end
#
#  12 PHE  HZ     34 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= 534, 535, 536,
 &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=1108,1109,1110,1104,1105,1106,
 &end
#
#  12 PHE  HZ     73 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1144,1145,
 &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=1147,1148,1149,
 &end
#
#  12 PHE  HZ     99 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1556,1557,1558,
 &end
#
#  12 PHE  HZ     99 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1560,1561,1562,
 &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=1706,1707,1708,1710,1711,1712,
 &end
#
#  13 SER  HN     14 LEU  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 189, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  13 SER  HN     14 LEU  HG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &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= 178,1642, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  13 SER  HN    105 GLU- QB      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=1644,1645,
 &end
#
#  13 SER  HN    108 GLN  QB      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1687,1688,
 &end
#
#  13 SER  HN    108 GLN  QG      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr2=1690,1691,
 &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=1706,1707,1708,1710,1711,1712,
 &end
#
#  13 SER  HA     23 THR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 337, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  13 SER  HA     23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  13 SER  HA     24 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 349, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  13 SER  HB2    14 LEU  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &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      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &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
#
#  13 SER  QB     23 THR  QG2     7.45                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.04, r4=10.54,
 igr1= 182, 183,
 igr2= 341, 342, 343,
 &end
#
#  13 SER  QB     24 ASP- HN      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr1= 182, 183,
 &end
#
#  14 LEU  HN     14 LEU  HG      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  14 LEU  HN     14 LEU  QD1     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 198, 199, 200,
 &end
#
#  14 LEU  HN     14 LEU  QD2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 202, 203, 204,
 &end
#
#  14 LEU  HN     14 LEU  QQD     5.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 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      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 313, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 LEU  HN     23 THR  HA      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 337, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  14 LEU  HN     23 THR  HB      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 339, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  14 LEU  HN     23 THR  QG2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 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      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 191,1566, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  14 LEU  HB2    15 THR  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 208, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  14 LEU  HB3    15 THR  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  14 LEU  QB    100 THR  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 193, 194,
 &end
#
#  14 LEU  HG     15 THR  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 208, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  14 LEU  HG    100 THR  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 196,1566, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 198, 199, 200,
 &end
#
#  14 LEU  QD1    99 LEU  HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1552, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 198, 199, 200,
 &end
#
#  14 LEU  QD1   101 GLY  HA2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1582, 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=  -1,1583, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 198, 199, 200,
 &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    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 202, 203, 204,
 &end
#
#  14 LEU  QD2    99 LEU  HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1552, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 202, 203, 204,
 &end
#
#  14 LEU  QD2   101 GLY  HA2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1582, 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=  -1,1583, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 202, 203, 204,
 &end
#
#  14 LEU  QQD    15 THR  HN      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 9.17, r4= 9.67,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD    73 ILE  QD1     6.67                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30,
 igr1= 202, 203, 204, 198, 199, 200,
 igr2=1147,1148,1149,
 &end
#
#  14 LEU  QQD    99 LEU  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, 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      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=1551,1552,
 &end
#
#  14 LEU  QQD    99 LEU  HG      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1554, 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  HN      8.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3=12.09, r4=12.59,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   100 THR  HA      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  HB      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  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, 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=1582,1583,
 &end
#
#  14 LEU  QQD   102 THR  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1587, 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      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, 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  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, 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  HB      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1704, 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    11.73                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=21.31, r4=21.81,
 igr1= 202, 203, 204, 198, 199, 200,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  15 THR  HN     16 THR  HA      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 224, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  15 THR  HN     99 LEU  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HN     99 LEU  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1551,1552,
 &end
#
#  15 THR  HN    100 THR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,1566, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  15 THR  HN    100 THR  HB      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,1570, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  15 THR  HN    100 THR  QG2     6.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr2=1572,1573,1574,
 &end
#
#  15 THR  HN    101 GLY  QA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1582,1583,
 &end
#
#  15 THR  HA     21 ARG+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 289, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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+ QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 293, 294,
 &end
#
#  15 THR  HA     21 ARG+ HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 296, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HA     21 ARG+ HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 297, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HA     21 ARG+ QD      7.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
 igr2= 299, 300,
 &end
#
#  15 THR  HA     22 LYS+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  15 THR  HA    100 THR  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 210,1566, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  15 THR  HB     16 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 222, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HB     82 LYS+ QG      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=1281,1282,
 &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=1560,1561,1562,1556,1557,1558,
 &end
#
#  15 THR  HB    100 THR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 212,1566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15 THR  QG2    16 THR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 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      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    19 GLY  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 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      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    21 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 214, 215, 216,
 &end
#
#  16 THR  HN     16 THR  QG2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 228, 229, 230,
 &end
#
#  16 THR  HN     16 THR  HG1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 232, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  16 THR  HN     17 HIST HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &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      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 274, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  16 THR  HN     20 GLU- HA      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 276, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  16 THR  HN     20 GLU- QB      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2= 278, 279,
 &end
#
#  16 THR  HN     21 ARG+ HA      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 291, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &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= 222,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HN     99 LEU  QQD     8.37                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3=11.28, r4=11.78,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  16 THR  HA     18 THR  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 253, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  16 THR  HA     97 VAL  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HA     98 GLY  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1540, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  16 THR  HA     99 LEU  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HA     99 LEU  HB2     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  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1552, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HA     99 LEU  QB      6.06                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2=1551,1552,
 &end
#
#  16 THR  HA     99 LEU  HG      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1554, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &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=1556,1557,1558,
 &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=1560,1561,1562,
 &end
#
#  16 THR  HA    100 THR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1566, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  16 THR  HB     17 HIST HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  16 THR  HB     18 THR  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 253, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  16 THR  HB     19 GLY  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 267, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  16 THR  HB     20 GLU- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 274, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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=1530,1531,1532,1534,1535,1536,
 &end
#
#  16 THR  HB     98 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 226,1540, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &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=1560,1561,1562,1556,1557,1558,
 &end
#
#  16 THR  QG2    17 HIST HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    18 THR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    20 GLU- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    22 LYS+ QB      8.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.89, r4=11.39,
 igr1= 228, 229, 230,
 igr2= 317, 318,
 &end
#
#  16 THR  QG2    98 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    99 LEU  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1549, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    99 LEU  QQD     7.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.25, r4=12.75,
 igr1= 228, 229, 230,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  16 THR  HG1    17 HIST HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  16 THR  HG1    18 THR  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  16 THR  HG1    19 GLY  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 267, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  16 THR  HG1    20 GLU- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 274, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &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
#
#  16 THR  HG1    99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  17 HIST HN     17 HIST HD2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 249, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  17 HIST HN     17 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HN     18 THR  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 253, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &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= 236,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HN     97 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  17 HIST HN     98 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 236,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HN     99 LEU  HA      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 236,1549, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  17 HIST HA     17 HIST HD2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 249, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  17 HIST HA     82 LYS+ HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1276, 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= 238,1278, 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= 238,1279, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HA     82 LYS+ QB      5.97                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2=1278,1279,
 &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=1281,1282,
 &end
#
#  17 HIST HA     82 LYS+ QD      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1284,1285,
 &end
#
#  17 HIST HA     86 ALA  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1340, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &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=1344,1345,1346,
 &end
#
#  17 HIST HB2    18 THR  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 253, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &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= 240,1276, 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=1327,1328,1329,
 &end
#
#  17 HIST HB2    86 ALA  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1340, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &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=1344,1345,1346,
 &end
#
#  17 HIST HB2    98 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB2    98 GLY  HA2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1542, 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= 240,1543, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  17 HIST HB3    18 THR  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &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= 241,1276, 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=1327,1328,1329,
 &end
#
#  17 HIST HB3    86 ALA  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1340, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &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=1344,1345,1346,
 &end
#
#  17 HIST HB3    98 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB3    98 GLY  HA2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1542, 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= 241,1543, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  17 HIST QB     18 THR  HN      4.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 240, 241,
 &end
#
#  17 HIST QB     19 GLY  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 240, 241,
 &end
#
#  17 HIST QB     86 ALA  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1342, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 240, 241,
 &end
#
#  17 HIST QB     98 GLY  HN      6.25                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 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=1542,1543,
 &end
#
#  17 HIST QB     99 LEU  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 240, 241,
 &end
#
#  17 HIST HD2    18 THR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  17 HIST HD2    86 ALA  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1340, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  17 HIST HD2    86 ALA  HA      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1342, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &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=1344,1345,1346,
 &end
#
#  17 HIST HD2    98 GLY  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1540, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  17 HIST HE1    18 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  17 HIST HE1    86 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HE1    97 VAL  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1524, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  17 HIST HE1    97 VAL  HA      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1526, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  17 HIST HE1    97 VAL  HB      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1528, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  17 HIST HE1    97 VAL  QQG     8.46                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3=11.40, r4=11.90,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  17 HIST HE1    98 GLY  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1540, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  18 THR  HN     18 THR  QG2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 259, 260, 261,
 &end
#
#  18 THR  HN     19 GLY  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 267, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  18 THR  HN     20 GLU- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 274, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  18 THR  HN     20 GLU- QB      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2= 278, 279,
 &end
#
#  18 THR  HN     20 GLU- QG      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2= 281, 282,
 &end
#
#  18 THR  HN     97 VAL  QQG     8.26                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3=11.13, r4=11.63,
 igr2=1530,1531,1532,1534,1535,1536,
 &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=1560,1561,1562,1556,1557,1558,
 &end
#
#  18 THR  HB     19 GLY  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 267, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  18 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= 259, 260, 261,
 &end
#
#  18 THR  QG2    20 GLU- HN      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 259, 260, 261,
 &end
#
#  19 GLY  HN     20 GLU- HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  19 GLY  HN     20 GLU- QB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 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      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1287,1288,
 &end
#
#  19 GLY  HA2    82 LYS+ HG2     6.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1281, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,  &end
#
#  19 GLY  HA2    82 LYS+ HG3     6.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1282, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,  &end
#
#  19 GLY  HA2    82 LYS+ HD2     7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1284, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  19 GLY  HA2    82 LYS+ HD3     7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1285, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  19 GLY  HA3    82 LYS+ HG2     6.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1281, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,  &end
#
#  19 GLY  HA3    82 LYS+ HG3     6.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1282, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,  &end
#
#  19 GLY  HA3    82 LYS+ HD2     7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1284, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  19 GLY  HA3    82 LYS+ HD3     7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1285, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  19 GLY  QA     82 LYS+ QG      5.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 269, 270,
 igr2=1281,1282,
 &end
#
#  19 GLY  QA     82 LYS+ QD      6.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr1= 269, 270,
 igr2=1284,1285,
 &end
#
#  20 GLU- HN     20 GLU- QG      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 281, 282,
 &end
#
#  20 GLU- HN     21 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 289, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  20 GLU- HA     21 ARG+ HN      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 289, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  20 GLU- QB     21 ARG+ HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 278, 279,
 &end
#
#  20 GLU- QG     21 ARG+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 281, 282,
 &end
#
#  21 ARG+ HN     21 ARG+ QG      4.78                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 296, 297,
 &end
#
#  21 ARG+ HN     21 ARG+ HD2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  21 ARG+ HN     21 ARG+ HD3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 300, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  21 ARG+ HN     21 ARG+ QD      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2= 299, 300,
 &end
#
#  21 ARG+ HN     22 LYS+ HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 313, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  21 ARG+ HA     21 ARG+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  21 ARG+ HA     21 ARG+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 300, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  21 ARG+ HG2    22 LYS+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 313, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  21 ARG+ HG3    22 LYS+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 313, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  21 ARG+ HD2    22 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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
#
#  21 ARG+ QD     22 LYS+ HN      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 299, 300,
 &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      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 320, 321,
 &end
#
#  22 LYS+ HN     22 LYS+ HD2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 323, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  22 LYS+ HN     22 LYS+ HD3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 324, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &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     22 LYS+ QE      6.39                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2= 326, 327,
 &end
#
#  22 LYS+ HN     23 THR  QG2     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 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     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 323, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HA     22 LYS+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 324, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  22 LYS+ HA     26 ASP- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 383, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &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+ HA     27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  22 LYS+ HB2    22 LYS+ HD2     4.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 323, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  22 LYS+ HB2    22 LYS+ HD3     4.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 324, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  22 LYS+ HB2    22 LYS+ HE2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 326, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HB2    22 LYS+ HE3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HB2    23 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 335, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  22 LYS+ HB2    27 TYR  QD      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr2= 403, 412,
 &end
#
#  22 LYS+ HB3    22 LYS+ HD2     4.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  22 LYS+ HB3    22 LYS+ HD3     4.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 324, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  22 LYS+ HB3    22 LYS+ HE2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 326, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HB3    22 LYS+ HE3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HB3    23 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 335, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  22 LYS+ HB3    27 TYR  QD      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr2= 403, 412,
 &end
#
#  22 LYS+ QB     22 LYS+ QD      3.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 317, 318,
 igr2= 323, 324,
 &end
#
#  22 LYS+ QB     22 LYS+ QE      6.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 317, 318,
 igr2= 326, 327,
 &end
#
#  22 LYS+ QB     27 TYR  QD      8.25                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
 igr1= 317, 318,
 igr2= 403, 412,
 &end
#
#  22 LYS+ QB     27 TYR  QE      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 317, 318,
 igr2= 405, 410,
 &end
#
#  22 LYS+ HG2    23 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 335, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  22 LYS+ HG3    23 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  22 LYS+ QG     23 THR  HN      6.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 320, 321,
 &end
#
#  22 LYS+ QG     27 TYR  HN      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 320, 321,
 &end
#
#  22 LYS+ QG     27 TYR  QD      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 320, 321,
 igr2= 403, 412,
 &end
#
#  22 LYS+ HD2    23 THR  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  22 LYS+ HD3    23 THR  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 335, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  22 LYS+ QD     23 THR  HN      5.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 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      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 349, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &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      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 383, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  23 THR  HN     26 ASP- HA      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 385, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  23 THR  HN     26 ASP- HB2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 387, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  23 THR  HN     26 ASP- HB3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 388, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  23 THR  HN     27 TYR  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 395, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  23 THR  HN     27 TYR  QD      8.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
 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      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 361, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  23 THR  HA     26 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  23 THR  HB     24 ASP- HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  23 THR  HB     25 LYS+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 361, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  23 THR  HB     26 ASP- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 383, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  23 THR  QG2    24 ASP- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 341, 342, 343,
 &end
#
#  24 ASP- HN     25 LYS+ HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 361, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  24 ASP- HN     26 ASP- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  24 ASP- HA     26 ASP- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 383, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  24 ASP- HA     27 TYR  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 395, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  24 ASP- HA     27 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 405, 410,
 &end
#
#  24 ASP- HA     28 LEU  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 416, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  24 ASP- HB2    25 LYS+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 361, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  24 ASP- HB3    25 LYS+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 LYS+ HN     25 LYS+ HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 365, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  25 LYS+ HN     25 LYS+ HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  25 LYS+ HN     25 LYS+ QB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 365, 366,
 &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      4.01                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 368, 369,
 &end
#
#  25 LYS+ HN     25 LYS+ HD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 371, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  25 LYS+ HN     25 LYS+ HD3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 372, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  25 LYS+ HN     25 LYS+ QD      5.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 371, 372,
 &end
#
#  25 LYS+ HN     25 LYS+ QE      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HN     26 ASP- HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 383, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  25 LYS+ HN     26 ASP- QB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2= 387, 388,
 &end
#
#  25 LYS+ HN     27 TYR  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 395, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 LYS+ HN     28 LEU  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 416, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  25 LYS+ HA     25 LYS+ HD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 371, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  25 LYS+ HA     25 LYS+ HD3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 372, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  25 LYS+ HA     25 LYS+ QD      5.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 371, 372,
 &end
#
#  25 LYS+ HA     25 LYS+ QE      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HA     27 TYR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 395, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  25 LYS+ HA     28 LEU  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 416, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  25 LYS+ HB2    25 LYS+ QE      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HB2    26 ASP- HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 383, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  25 LYS+ HB3    25 LYS+ QE      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HB3    26 ASP- HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 383, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  25 LYS+ QB     25 LYS+ QE      4.43                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 365, 366,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HG2    26 ASP- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  25 LYS+ HG3    26 ASP- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  25 LYS+ QG     26 ASP- HN      5.31                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 368, 369,
 &end
#
#  25 LYS+ HD2    26 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  25 LYS+ HD3    26 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  25 LYS+ QD     26 ASP- HN      6.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 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     26 ASP- HB2     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  26 ASP- HN     26 ASP- HB3     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  26 ASP- HN     27 TYR  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 395, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &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      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 416, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  26 ASP- HB2    27 TYR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 395, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  26 ASP- HB2    27 TYR  QE      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr2= 405, 410,
 &end
#
#  26 ASP- HB2    28 LEU  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 416, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  26 ASP- HB3    27 TYR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  26 ASP- HB3    27 TYR  QE      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr2= 405, 410,
 &end
#
#  26 ASP- HB3    28 LEU  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 416, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  26 ASP- QB     27 TYR  HN      4.37                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 387, 388,
 &end
#
#  26 ASP- QB     27 TYR  QE      7.95                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.02, r4=10.52,
 igr1= 387, 388,
 igr2= 405, 410,
 &end
#
#  26 ASP- QB     28 LEU  HN      5.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 387, 388,
 &end
#
#  27 TYR  HN     27 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 405, 410,
 &end
#
#  27 TYR  HN     28 LEU  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 416, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  27 TYR  HN     28 LEU  HB2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 420, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  27 TYR  HN     28 LEU  HB3     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 421, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &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     27 TYR  QE      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 405, 410,
 &end
#
#  27 TYR  HA     30 GLN  HE21    5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 454, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  27 TYR  HA     30 GLN  HE22    5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 455, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &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      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 TYR  HB2    30 GLN  HE21    7.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 454, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,  &end
#
#  27 TYR  HB2    30 GLN  HE22    7.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 455, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,  &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      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 TYR  HB3    30 GLN  HE21    7.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 454, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,  &end
#
#  27 TYR  HB3    30 GLN  HE22    7.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 455, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,  &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     6.37                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
 igr1= 399, 400,
 igr2= 454, 455,
 &end
#
#  27 TYR  QD     28 LEU  HN      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 403, 412,
 &end
#
#  27 TYR  QD     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= 403, 412,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  27 TYR  QD     69 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= 403, 412,
 igr2=1073,1074,1075,
 &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=1104,1105,1106,
 &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=1108,1109,1110,
 &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=1530,1531,1532,1534,1535,1536,
 &end
#
#  27 TYR  QE     30 GLN  QG      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 405, 410,
 igr2= 449, 450,
 &end
#
#  27 TYR  QE     30 GLN  HE21    7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 405, 410,
 &end
#
#  27 TYR  QE     30 GLN  HE22    7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 405, 410,
 &end
#
#  27 TYR  QE     30 GLN  QE2     6.95                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 405, 410,
 igr2= 454, 455,
 &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     69 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= 405, 410,
 igr2=1073,1074,1075,
 &end
#
#  27 TYR  QE     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= 405, 410,
 igr2=1104,1105,1106,
 &end
#
#  27 TYR  QE     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= 405, 410,
 igr2=1108,1109,1110,
 &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=1530,1531,1532,1534,1535,1536,
 &end
#
#  27 TYR  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= 405, 410,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  28 LEU  HN     28 LEU  QB      3.62                
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 420, 421,
 &end
#
#  28 LEU  HN     28 LEU  HG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  28 LEU  HN     28 LEU  QD1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 425, 426, 427,
 &end
#
#  28 LEU  HN     28 LEU  QD2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 429, 430, 431,
 &end
#
#  28 LEU  HN     29 GLY  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 435, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  28 LEU  HN     30 GLN  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 442, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  28 LEU  HA     28 LEU  QD1     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 425, 426, 427,
 &end
#
#  28 LEU  HA     28 LEU  QD2     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 429, 430, 431,
 &end
#
#  28 LEU  HA     30 GLN  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 442, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 LEU  HA    143 GLY  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 418,2243, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  28 LEU  HB2    29 GLY  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 435, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  28 LEU  HB2    30 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 442, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  28 LEU  HB3    29 GLY  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 435, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  28 LEU  HB3    30 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 442, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  28 LEU  QB     29 GLY  HN      4.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 420, 421,
 &end
#
#  28 LEU  HG     29 GLY  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 435, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &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=  -1,2233, 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=  -1,2245, 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=  -1,2246, 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=  -1,2233, 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=  -1,2245, 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=  -1,2246, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 429, 430, 431,
 &end
#
#  28 LEU  QQD    29 GLY  HN      6.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 9.36, r4= 9.86,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  QQD    30 GLN  HN      7.77                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 442, r1= 1.30, r2= 1.80, r3=10.47, r4=10.97,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  QQD   142 ASP- HN      7.27                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  QQD   143 GLY  HN      8.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3=11.01, r4=11.51,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  29 GLY  HN     30 GLN  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 442, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  29 GLY  HN     30 GLN  QB      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2= 446, 447,
 &end
#
#  29 GLY  HN    141 PRO  HA      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,2227, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  29 GLY  HN    141 PRO  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,2224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  29 GLY  HN    141 PRO  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,2225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  29 GLY  HN    141 PRO  QB      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=2224,2225,
 &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=2221,2222,
 &end
#
#  29 GLY  HN    143 GLY  QA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2245,2246,
 &end
#
#  29 GLY  HA2   141 PRO  HB2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 437,2224, 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= 437,2225, 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= 438,2224, 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= 438,2225, 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=2224,2225,
 &end
#
#  30 GLN  HN     30 GLN  QG      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 449, 450,
 &end
#
#  30 GLN  HN     30 GLN  HE21    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 454, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  30 GLN  HN     30 GLN  HE22    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 455, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  30 GLN  HN     31 TRP  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 459, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &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     32 LEU  QQD     6.94                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 9.36, r4= 9.86,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  30 GLN  HN    141 PRO  HA      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,2227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  30 GLN  HN    141 PRO  HB2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,2224, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  30 GLN  HN    141 PRO  HB3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,2225, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  30 GLN  HN    141 PRO  QB      5.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=2224,2225,
 &end
#
#  30 GLN  HA     30 GLN  HE21    6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 454, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  30 GLN  HA     30 GLN  HE22    6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 455, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  30 GLN  HA     30 GLN  QE2     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 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    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 446, 447,
 &end
#
#  30 GLN  QB     30 GLN  HE22    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 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=  -1,1067, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 446, 447,
 &end
#
#  30 GLN  QG     31 TRP  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 449, 450,
 &end
#
#  30 GLN  QG     69 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, 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=  -1,1071, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 449, 450,
 &end
#
#  30 GLN  HE21   32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  30 GLN  HE21   32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  30 GLN  HE21   69 THR  HB      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,1071, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  30 GLN  HE21   69 THR  QG2     7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2=1073,1074,1075,
 &end
#
#  30 GLN  HE22   32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  30 GLN  HE22   32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  30 GLN  HE22   69 THR  HB      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,1071, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  30 GLN  HE22   69 THR  QG2     7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2=1073,1074,1075,
 &end
#
#  30 GLN  QE2    32 LEU  QQD     7.09                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
 igr1= 454, 455,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  31 TRP  HN     31 TRP  HD1     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  31 TRP  HN     31 TRP  HE3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 478, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  31 TRP  HN     31 TRP  HE1     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  31 TRP  HN     32 LEU  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 483, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  31 TRP  HN     32 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= 492, 493, 494,
 &end
#
#  31 TRP  HN     32 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= 496, 497, 498,
 &end
#
#  31 TRP  HN     32 LEU  QQD     7.04                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 9.49, r4= 9.99,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  31 TRP  HN     68 LEU  QB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=1052,1053,
 &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=1057,1058,1059,
 &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=1061,1062,1063,
 &end
#
#  31 TRP  HN     69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HA     31 TRP  HD1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 467, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HA     31 TRP  HE1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 469, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  31 TRP  HA     31 TRP  HZ3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 476, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HA    139 ILE  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 461,2191, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1057,1058,1059,
 &end
#
#  31 TRP  HB2    68 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=1061,1062,1063,
 &end
#
#  31 TRP  HB2    69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,1067, 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=2181,2182,2183,
 &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=2185,2186,2187,
 &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    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1057,1058,1059,
 &end
#
#  31 TRP  HB3    68 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=1061,1062,1063,
 &end
#
#  31 TRP  HB3    69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,1067, 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=2181,2182,2183,
 &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=2185,2186,2187,
 &end
#
#  31 TRP  QB     31 TRP  HE1     5.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 463, 464,
 &end
#
#  31 TRP  QB     31 TRP  HH2     6.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 463, 464,
 &end
#
#  31 TRP  QB     32 LEU  HN      5.03                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 463, 464,
 &end
#
#  31 TRP  QB     68 LEU  QB      8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1= 463, 464,
 igr2=1052,1053,
 &end
#
#  31 TRP  QB     68 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=1061,1062,1063,1057,1058,1059,
 &end
#
#  31 TRP  QB     69 THR  HN      5.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 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=2185,2186,2187,2181,2182,2183,
 &end
#
#  31 TRP  QB    139 ILE  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 463, 464,
 &end
#
#  31 TRP  HD1    66 PRO  HB2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1029, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  31 TRP  HD1    66 PRO  HB3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1030, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  31 TRP  HD1    66 PRO  QB      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1029,1030,
 &end
#
#  31 TRP  HD1    66 PRO  QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1026,1027,
 &end
#
#  31 TRP  HD1    67 ASP- HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1036, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  31 TRP  HD1    68 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1048, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 TRP  HD1    69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE3    32 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 TRP  HE3    68 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=1061,1062,1063,1057,1058,1059,
 &end
#
#  31 TRP  HE3   138 LEU  QB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=2176,2177,
 &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=2185,2186,2187,2181,2182,2183,
 &end
#
#  31 TRP  HE3   140 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,2210, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE3   146 LEU  QQD     8.87                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46,
 igr2=2298,2299,2300,2294,2295,2296,
 &end
#
#  31 TRP  HE3   165 HIST QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2582,2583,
 &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=2654,2655,
 &end
#
#  31 TRP  HE1    66 PRO  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1029, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 TRP  HE1    66 PRO  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1030, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 TRP  HE1    66 PRO  QB      5.84                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2=1029,1030,
 &end
#
#  31 TRP  HE1    66 PRO  QG      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1026,1027,
 &end
#
#  31 TRP  HE1    66 PRO  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1023, 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= 469,1024, 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=2185,2186,2187,2181,2182,2183,
 &end
#
#  31 TRP  HE1   140 GLY  QA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=2212,2213,
 &end
#
#  31 TRP  HE1   141 PRO  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2224, 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= 469,2225, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   141 PRO  QB      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2=2224,2225,
 &end
#
#  31 TRP  HE1   141 PRO  QG      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2221,2222,
 &end
#
#  31 TRP  HE1   141 PRO  HD2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2218, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  31 TRP  HE1   141 PRO  HD3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2219, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  31 TRP  HE1   141 PRO  QD      5.39                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=2218,2219,
 &end
#
#  31 TRP  HE1   166 MET  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2597, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   169 TYR  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2654, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   169 TYR  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   169 TYR  QB      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=2654,2655,
 &end
#
#  31 TRP  HE1   169 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2658,2667,
 &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=2660,2665,
 &end
#
#  31 TRP  HZ3   138 LEU  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,2174, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ3   138 LEU  QB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=2176,2177,
 &end
#
#  31 TRP  HZ3   138 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2181,2182,2183,
 &end
#
#  31 TRP  HZ3   138 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2185,2186,2187,
 &end
#
#  31 TRP  HZ3   146 LEU  QB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=2289,2290,
 &end
#
#  31 TRP  HZ3   146 LEU  QD1     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2=2294,2295,2296,
 &end
#
#  31 TRP  HZ3   146 LEU  QD2     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2=2298,2299,2300,
 &end
#
#  31 TRP  HZ3   165 HIST HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,2578, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ3   165 HIST HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,2580, 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= 476,2582, 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= 476,2583, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ3   165 HIST QB      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=2582,2583,
 &end
#
#  31 TRP  HZ3   166 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,2595, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ2   138 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2181,2182,2183,
 &end
#
#  31 TRP  HZ2   138 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2185,2186,2187,
 &end
#
#  31 TRP  HZ2   169 TYR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 472,2652, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ2   169 TYR  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 472,2654, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HZ2   169 TYR  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 472,2655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HH2   138 LEU  QQD     8.07                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
 igr2=2185,2186,2187,2181,2182,2183,
 &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=2298,2299,2300,2294,2295,2296,
 &end
#
#  31 TRP  HH2   165 HIST HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,2578, 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= 474,2580, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HH2   165 HIST HB2     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 HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,2583, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HH2   166 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,2595, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HN     32 LEU  QD1     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 492, 493, 494,
 &end
#
#  32 LEU  HN     32 LEU  QD2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 496, 497, 498,
 &end
#
#  32 LEU  HN     33 LEU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 502, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  32 LEU  HN     69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,1067, 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= 483,2174, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HN    138 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2185,2186,2187,2181,2182,2183,
 &end
#
#  32 LEU  HN    139 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,2191, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  32 LEU  HN    139 ILE  HB      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,2195, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  32 LEU  HN    139 ILE  QG2     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2=2197,2198,2199,
 &end
#
#  32 LEU  HN    139 ILE  QG1     6.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr2=2201,2202,
 &end
#
#  32 LEU  HA     32 LEU  QD1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 492, 493, 494,
 &end
#
#  32 LEU  HA     32 LEU  QD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 496, 497, 498,
 &end
#
#  32 LEU  HA     69 THR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1067, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  32 LEU  HA     69 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1071, 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=1073,1074,1075,
 &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=1108,1109,1110,1104,1105,1106,
 &end
#
#  32 LEU  HB2    33 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 502, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HB2    71 LEU  QD1     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=1104,1105,1106,
 &end
#
#  32 LEU  HB2    71 LEU  QD2     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=1108,1109,1110,
 &end
#
#  32 LEU  HB2   139 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 487,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HB3    33 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HB3    71 LEU  QD1     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=1104,1105,1106,
 &end
#
#  32 LEU  HB3    71 LEU  QD2     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=1108,1109,1110,
 &end
#
#  32 LEU  HB3   139 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 488,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  QB     33 LEU  HN      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 487, 488,
 &end
#
#  32 LEU  QB     34 ILE  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 487, 488,
 &end
#
#  32 LEU  QB     71 LEU  QQD     8.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
 igr1= 487, 488,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  32 LEU  QB    139 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 487, 488,
 &end
#
#  32 LEU  QB    139 ILE  HB      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 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=2201,2202,
 &end
#
#  32 LEU  QB    140 GLY  HN      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2210, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 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    71 LEU  QD1    11.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.64, r4=17.14,
 igr1= 492, 493, 494,
 igr2=1104,1105,1106,
 &end
#
#  32 LEU  QD1    71 LEU  QD2    11.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.64, r4=17.14,
 igr1= 492, 493, 494,
 igr2=1108,1109,1110,
 &end
#
#  32 LEU  QD1   139 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, 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=  -1,2195, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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    71 LEU  QD1    11.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.64, r4=17.14,
 igr1= 496, 497, 498,
 igr2=1104,1105,1106,
 &end
#
#  32 LEU  QD2    71 LEU  QD2    11.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.64, r4=17.14,
 igr1= 496, 497, 498,
 igr2=1108,1109,1110,
 &end
#
#  32 LEU  QD2   139 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, 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=  -1,2195, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QQD    33 LEU  HN      6.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 9.36, r4= 9.86,
 igr1= 496, 497, 498, 492, 493, 494,
 &end
#
#  32 LEU  QQD    69 THR  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, 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=  -1,1071, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 496, 497, 498, 492, 493, 494,
 &end
#
#  32 LEU  QQD    71 LEU  QQD     9.79                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=17.79, r4=18.29,
 igr1= 496, 497, 498, 492, 493, 494,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  33 LEU  HN     33 LEU  QB      3.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 506, 507,
 &end
#
#  33 LEU  HN     33 LEU  QD1     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 511, 512, 513,
 &end
#
#  33 LEU  HN     33 LEU  QD2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 515, 516, 517,
 &end
#
#  33 LEU  HN     33 LEU  QQD     5.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  HN     34 ILE  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 521, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  33 LEU  HN     34 ILE  HB      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 525, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  33 LEU  HN     34 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 527, 528, 529,
 &end
#
#  33 LEU  HN     34 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 534, 535, 536,
 &end
#
#  33 LEU  HN     69 THR  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1067, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  33 LEU  HN     69 THR  HB      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1071, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  33 LEU  HN     70 PRO  HA      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1091, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  33 LEU  HN     70 PRO  QB      4.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1088,1089,
 &end
#
#  33 LEU  HN     71 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1095, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HN    139 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,2191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  33 LEU  HA     33 LEU  QD1     7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2= 511, 512, 513,
 &end
#
#  33 LEU  HA     33 LEU  QD2     7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 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  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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=2145,2146,2147,
 &end
#
#  33 LEU  HA    139 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,2191, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  33 LEU  HA    162 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=2548,2549,2550,
 &end
#
#  33 LEU  HB2    34 ILE  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  33 LEU  HB2    68 LEU  HG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,1055, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HB2    70 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HB3    34 ILE  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  33 LEU  HB3    68 LEU  HG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 507,1055, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HB3    70 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 507,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  QB     69 THR  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, 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=  -1,1095, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 506, 507,
 &end
#
#  33 LEU  QD1    34 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1    52 MET  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   136 MET  HG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2141, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   136 MET  HG3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   136 MET  QE      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=2145,2146,2147,
 &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=2491,2492,2493,
 &end
#
#  33 LEU  QD2    34 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2    52 MET  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   136 MET  HG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2141, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   136 MET  HG3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   136 MET  QE      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=2145,2146,2147,
 &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=2491,2492,2493,
 &end
#
#  33 LEU  QQD    56 VAL  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, 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  HG      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1055, 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      8.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3=11.01, r4=11.51,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD    70 PRO  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1091, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD   136 MET  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2136, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &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=2345,2353,
 &end
#
#  34 ILE  HN     34 ILE  QG1     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2= 531, 532,
 &end
#
#  34 ILE  HN     34 ILE  QD1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 534, 535, 536,
 &end
#
#  34 ILE  HN     35 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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=1108,1109,1110,1104,1105,1106,
 &end
#
#  34 ILE  HN    136 MET  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    136 MET  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2138, 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= 521,2139, 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= 521,2141, 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= 521,2142, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    136 MET  QG      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=2141,2142,
 &end
#
#  34 ILE  HN    137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    137 TYR  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2155, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    137 TYR  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,2156, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HN    137 TYR  QB      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2=2155,2156,
 &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=2159,2168,
 &end
#
#  34 ILE  HA     70 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,1091, 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=1108,1109,1110,1104,1105,1106,
 &end
#
#  34 ILE  HA     72 PHE  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,1116, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HA     73 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1147,1148,1149,
 &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=2145,2146,2147,
 &end
#
#  34 ILE  HB     35 TYR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 540, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  34 ILE  HB    113 TYR  HH      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 525,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HB    137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 525,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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=2159,2168,
 &end
#
#  34 ILE  QG2    35 TYR  HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 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    36 PHE  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 527, 528, 529,
 igr2= 565, 566,
 &end
#
#  34 ILE  QG2    36 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= 527, 528, 529,
 igr2= 569, 577,
 &end
#
#  34 ILE  QG2    36 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= 527, 528, 529,
 igr2= 571, 575,
 &end
#
#  34 ILE  QG2    36 PHE  HZ      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    71 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1095, 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=  -1,1116, 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=  -1,1134, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    73 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=1147,1148,1149,
 &end
#
#  34 ILE  QG2   113 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 527, 528, 529,
 igr2=1770,1775,
 &end
#
#  34 ILE  QG2   113 TYR  HH      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2   136 MET  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2136, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2   137 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2   137 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= 527, 528, 529,
 igr2=2159,2168,
 &end
#
#  34 ILE  QG2   139 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &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    73 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 531, 532,
 &end
#
#  34 ILE  QG1    73 ILE  QG1     7.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.83, r4=10.33,
 igr1= 531, 532,
 igr2=1144,1145,
 &end
#
#  34 ILE  QG1    73 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=1147,1148,1149,
 &end
#
#  34 ILE  QG1   137 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 531, 532,
 &end
#
#  34 ILE  QG1   138 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2172, 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=2204,2205,2206,
 &end
#
#  34 ILE  QD1    35 TYR  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1    36 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= 534, 535, 536,
 igr2= 571, 575,
 &end
#
#  34 ILE  QD1    36 PHE  HZ      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1    73 ILE  QD1     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr1= 534, 535, 536,
 igr2=1147,1148,1149,
 &end
#
#  34 ILE  QD1   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= 534, 535, 536,
 igr2=1768,1777,
 &end
#
#  34 ILE  QD1   113 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 534, 535, 536,
 igr2=1770,1775,
 &end
#
#  34 ILE  QD1   113 TYR  HH      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1   137 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1   137 TYR  HA      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=2155,2156,
 &end
#
#  34 ILE  QD1   137 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= 534, 535, 536,
 igr2=2159,2168,
 &end
#
#  34 ILE  QD1   139 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1   139 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2195, 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=2201,2202,
 &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=2204,2205,2206,
 &end
#
#  35 TYR  HN     36 PHE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 561, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  35 TYR  HN     70 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1091, 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= 540,1095, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HN     71 LEU  QB      6.78                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2=1099,1100,
 &end
#
#  35 TYR  HN     71 LEU  HG      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1102, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  35 TYR  HN     72 PHE  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1116, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  35 TYR  HN     72 PHE  HB2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1118, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  35 TYR  HN     72 PHE  HB3     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1119, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  35 TYR  HN     72 PHE  QB      6.24                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=1118,1119,
 &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=1122,1130,
 &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=1124,1128,
 &end
#
#  35 TYR  HN     73 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1134, 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=1147,1148,1149,
 &end
#
#  35 TYR  HN    136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2145,2146,2147,
 &end
#
#  35 TYR  HA     36 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 569, 577,
 &end
#
#  35 TYR  HA    136 MET  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 542,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HA    136 MET  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 542,2141, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HA    136 MET  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 542,2142, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HA    137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 542,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HB2   136 MET  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 544,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HB3   136 MET  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 545,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  36 PHE  HN     36 PHE  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 571, 575,
 &end
#
#  36 PHE  HN    136 MET  HA      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 561,2136, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &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=1122,1130,
 &end
#
#  36 PHE  HA     72 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1124,1128,
 &end
#
#  36 PHE  HA     73 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,1134, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  36 PHE  HA     73 ILE  HB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,1138, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &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=1140,1141,1142,
 &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=1177,1178,1179,
 &end
#
#  36 PHE  QB     75 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 565, 566,
 igr2=1170,1171,1172,
 &end
#
#  36 PHE  QB     75 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= 565, 566,
 igr2=1177,1178,1179,
 &end
#
#  36 PHE  QB    115 VAL  QG1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 565, 566,
 igr2=1811,1812,1813,
 &end
#
#  36 PHE  QB    115 VAL  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 565, 566,
 igr2=1815,1816,1817,
 &end
#
#  36 PHE  QD     73 ILE  HB      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 569, 577,
 &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=1140,1141,1142,
 &end
#
#  36 PHE  QD     73 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= 569, 577,
 igr2=1147,1148,1149,
 &end
#
#  36 PHE  QD    110 ALA  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 569, 577,
 &end
#
#  36 PHE  QD    115 VAL  QG1     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=1811,1812,1813,
 &end
#
#  36 PHE  QD    115 VAL  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=1815,1816,1817,
 &end
#
#  36 PHE  QE     73 ILE  HB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 571, 575,
 &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=1140,1141,1142,
 &end
#
#  36 PHE  QE     73 ILE  QG1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 571, 575,
 igr2=1144,1145,
 &end
#
#  36 PHE  QE     73 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= 571, 575,
 igr2=1147,1148,1149,
 &end
#
#  36 PHE  QE    109 VAL  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 571, 575,
 &end
#
#  36 PHE  QE    109 VAL  QG1     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=1706,1707,1708,
 &end
#
#  36 PHE  QE    109 VAL  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=1710,1711,1712,
 &end
#
#  36 PHE  QE    110 ALA  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 571, 575,
 &end
#
#  36 PHE  QE    110 ALA  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 571, 575,
 &end
#
#  36 PHE  QE    115 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=1811,1812,1813,1815,1816,1817,
 &end
#
#  36 PHE  QE    137 TYR  QD      9.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
 igr1= 571, 575,
 igr2=2159,2168,
 &end
#
#  36 PHE  HZ     73 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,1138, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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=1140,1141,1142,
 &end
#
#  36 PHE  HZ     73 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1147,1148,1149,
 &end
#
#  36 PHE  HZ     75 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=1170,1171,1172,
 &end
#
#  36 PHE  HZ    109 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1706,1707,1708,
 &end
#
#  36 PHE  HZ    109 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1710,1711,1712,
 &end
#
#  36 PHE  HZ    110 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,1716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  36 PHE  HZ    110 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,1718, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  36 PHE  HZ    113 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1770,1775,
 &end
#
#  36 PHE  HZ    115 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1811,1812,1813,
 &end
#
#  36 PHE  HZ    115 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1815,1816,1817,
 &end
#
#  37 GLY  HN     38 PHE  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &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=1122,1130,
 &end
#
#  37 GLY  HN     72 PHE  QE      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
 igr2=1124,1128,
 &end
#
#  37 GLY  HN     72 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1126, 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= 581,1134, 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= 581,1138, 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=1140,1141,1142,
 &end
#
#  37 GLY  HN     73 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=1147,1148,1149,
 &end
#
#  37 GLY  HN     74 SER  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1155, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     74 SER  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1157,1158,
 &end
#
#  37 GLY  HN     75 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1164, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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=1170,1171,1172,
 &end
#
#  37 GLY  HN     75 ILE  HG12    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1174, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     75 ILE  HG13    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1175, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  37 GLY  HN     75 ILE  QG1     6.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2=1174,1175,
 &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=1177,1178,1179,
 &end
#
#  37 GLY  QA     72 PHE  QE      9.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
 igr1= 583, 584,
 igr2=1124,1128,
 &end
#
#  37 GLY  QA     75 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= 583, 584,
 igr2=1177,1178,1179,
 &end
#
#  38 PHE  HN     39 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 614, 615, 616,
 &end
#
#  38 PHE  HN     72 PHE  QE      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1124,1128,
 &end
#
#  38 PHE  HN     72 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 588,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  38 PHE  HN     75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1177,1178,1179,
 &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     72 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 590,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  38 PHE  HA     74 SER  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 590,1157, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  38 PHE  HA     74 SER  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 590,1158, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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=1177,1178,1179,
 &end
#
#  38 PHE  QB     75 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= 592, 593,
 igr2=1177,1178,1179,
 &end
#
#  38 PHE  QB     76 ASP- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 592, 593,
 &end
#
#  38 PHE  QB     76 ASP- QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34,
 igr1= 592, 593,
 igr2=1187,1188,
 &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=2043,2044,2045,2047,2048,2049,
 &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 CYA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 596, 604,
 &end
#
#  38 PHE  QD     41 CYA  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 642, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 596, 604,
 &end
#
#  38 PHE  QD     76 ASP- QB      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 596, 604,
 igr2=1187,1188,
 &end
#
#  38 PHE  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= 596, 604,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
#  39 THR  HN     72 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1124,1128,
 &end
#
#  39 THR  HN     72 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 608,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  39 THR  HA     41 CYA  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     72 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1124,1128,
 &end
#
#  39 THR  HA     72 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 610,1126, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  39 THR  HA     88 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1372,1381,
 &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=1374,1379,
 &end
#
#  39 THR  HB     40 HIS+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 622, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  39 THR  HB     88 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1372,1381,
 &end
#
#  39 THR  HB     88 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1374,1379,
 &end
#
#  39 THR  QG2    40 HIS+ HN      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 622, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 614, 615, 616,
 &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=1124,1128,
 &end
#
#  39 THR  QG2    72 PHE  HZ      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1126, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 614, 615, 616,
 &end
#
#  39 THR  QG2    84 ALA  QB      8.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
 igr1= 614, 615, 616,
 igr2=1315,1316,1317,
 &end
#
#  39 THR  QG2    85 ILE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1323, 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=  -1,1364, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 614, 615, 616,
 &end
#
#  39 THR  QG2    88 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= 614, 615, 616,
 igr2=1372,1381,
 &end
#
#  40 HIS+ HN     40 HIS+ HD2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 636, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  40 HIS+ HN     40 HIS+ HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 632, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  40 HIS+ HN     41 CYA  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 640, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  40 HIS+ HA     40 HIS+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 636, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  40 HIS+ HA     40 HIS+ HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 632, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  40 HIS+ HB2    41 CYA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  40 HIS+ HB3    41 CYA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  40 HIS+ QB     41 CYA  HN      6.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 626, 627,
 &end
#
#  40 HIS+ HD2    41 CYA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  41 CYA  HN     42 PRO  QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 651, 652,
 &end
#
#  41 CYA  HN     45 CYG  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 692, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  41 CYA  HN     45 CYG  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 697, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  41 CYA  HN     45 CYG  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 696, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  41 CYA  HN    132 HIS  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 640,2078, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  41 CYA  HN    132 HIS  HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 640,2075, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  41 CYA  QB     45 CYG  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 645, 644,
 &end
#
#  42 PRO  HA     44 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 676, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  42 PRO  QG     44 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 654, 655,
 &end
#
#  43 ASP- HN     44 VAL  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 676, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  43 ASP- HN     44 VAL  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 678, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  43 ASP- HN     44 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  43 ASP- HN     44 VAL  QG1     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2= 682, 683, 684,
 &end
#
#  43 ASP- HN     44 VAL  QG2     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2= 686, 687, 688,
 &end
#
#  43 ASP- HN     44 VAL  QQG     7.03                
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 9.48, r4= 9.98,
 igr2= 682, 683, 684, 686, 687, 688,
 &end
#
#  43 ASP- HN     45 CYG  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 692, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  44 VAL  HN     45 CYG  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 692, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  44 VAL  HN    132 HIS  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 676,2078, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  44 VAL  HN    132 HIS  HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 676,2075, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  44 VAL  HN    134 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2102,2103,2104,
 &end
#
#  44 VAL  HN    134 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2109,2110,2111,
 &end
#
#  44 VAL  HA     47 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  44 VAL  HA     47 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 720, 721,
 &end
#
#  44 VAL  HA     48 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 731, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  44 VAL  HB     45 CYG  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 692, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  44 VAL  HB    134 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2102,2103,2104,
 &end
#
#  44 VAL  HB    134 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2109,2110,2111,
 &end
#
#  44 VAL  QG1    45 CYG  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 682, 683, 684,
 &end
#
#  44 VAL  QG1    48 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 682, 683, 684,
 &end
#
#  44 VAL  QG1   134 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= 682, 683, 684,
 igr2=2102,2103,2104,
 &end
#
#  44 VAL  QG1   134 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= 682, 683, 684,
 igr2=2109,2110,2111,
 &end
#
#  44 VAL  QG1   151 GLN  HE21   10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2376, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 682, 683, 684,
 &end
#
#  44 VAL  QG1   151 GLN  HE22   10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2377, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 682, 683, 684,
 &end
#
#  44 VAL  QG2    45 CYG  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 686, 687, 688,
 &end
#
#  44 VAL  QG2    48 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 686, 687, 688,
 &end
#
#  44 VAL  QG2   134 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= 686, 687, 688,
 igr2=2102,2103,2104,
 &end
#
#  44 VAL  QG2   134 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= 686, 687, 688,
 igr2=2109,2110,2111,
 &end
#
#  44 VAL  QG2   151 GLN  HE21   10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2376, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 686, 687, 688,
 &end
#
#  44 VAL  QG2   151 GLN  HE22   10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2377, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 686, 687, 688,
 &end
#
#  44 VAL  QQG    45 CYG  HN      7.29                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 9.83, r4=10.33,
 igr1= 682, 683, 684, 686, 687, 688,
 &end
#
#  44 VAL  QQG   132 HIS  HE1     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2075, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 682, 683, 684, 686, 687, 688,
 &end
#
#  44 VAL  QQG   134 ILE  QG2     8.26                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.37, r4=13.87,
 igr1= 682, 683, 684, 686, 687, 688,
 igr2=2102,2103,2104,
 &end
#
#  44 VAL  QQG   134 ILE  QD1     8.26                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.37, r4=13.87,
 igr1= 682, 683, 684, 686, 687, 688,
 igr2=2109,2110,2111,
 &end
#
#  44 VAL  QQG   151 GLN  QE2     8.49                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.85, r4=13.35,
 igr1= 682, 683, 684, 686, 687, 688,
 igr2=2376,2377,
 &end
#
#  45 CYG  HN     48 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 731, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  45 CYG  HN    132 HIS  HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 692,2075, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  45 CYG  HN    134 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2102,2103,2104,
 &end
#
#  45 CYG  HA     47 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  45 CYG  HA     48 GLU- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 731, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  45 CYG  HB2    47 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  45 CYG  HB3    47 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  45 CYG  QB     47 GLU- HN      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 697, 696,
 &end
#
#  46 PRO  HA     49 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 746, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  46 PRO  HA     49 LEU  HB2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 750, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  46 PRO  HA     49 LEU  HB3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 751, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  46 PRO  HA     49 LEU  QB      5.94                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2= 750, 751,
 &end
#
#  46 PRO  HA     49 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2= 759, 760, 761, 755, 756, 757,
 &end
#
#  46 PRO  HA     50 GLU- QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2= 772, 773,
 &end
#
#  46 PRO  HA     88 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1372,1381,
 &end
#
#  46 PRO  HA     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  46 PRO  HA     92 PHE  HZ      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,1450, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  46 PRO  HB2    92 PHE  HZ      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 709,1450, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  46 PRO  HB3    92 PHE  HZ      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 710,1450, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  46 PRO  QB     47 GLU- HN      4.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 709, 710,
 &end
#
#  46 PRO  QB     92 PHE  QE      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 709, 710,
 igr2=1448,1452,
 &end
#
#  46 PRO  QB     92 PHE  HZ      5.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 709, 710,
 &end
#
#  47 GLU- HN     47 GLU- QG      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2= 723, 724,
 &end
#
#  47 GLU- HN     48 GLU- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 731, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  47 GLU- HN     49 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 746, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  47 GLU- HN     49 LEU  QB      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 750, 751,
 &end
#
#  47 GLU- HN     49 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2= 759, 760, 761, 755, 756, 757,
 &end
#
#  47 GLU- HN     50 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 765, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  47 GLU- HA     50 GLU- HG2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 772, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  47 GLU- HA     50 GLU- HG3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 773, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  47 GLU- HA     50 GLU- QG      5.89                
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 772, 773,
 &end
#
#  47 GLU- QG     48 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 723, 724,
 &end
#
#  48 GLU- HN     49 LEU  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 746, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  48 GLU- HN     49 LEU  QB      5.78                
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 750, 751,
 &end
#
#  48 GLU- HN     49 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2= 759, 760, 761, 755, 756, 757,
 &end
#
#  48 GLU- HA     49 LEU  QB      7.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
 igr2= 750, 751,
 &end
#
#  48 GLU- HA     50 GLU- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 765, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  48 GLU- HA     51 LYS+ HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 780, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  48 GLU- HA     52 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 802, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  49 LEU  HN     49 LEU  HG      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  49 LEU  HN     49 LEU  QD1     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2= 755, 756, 757,
 &end
#
#  49 LEU  HN     49 LEU  QD2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2= 759, 760, 761,
 &end
#
#  49 LEU  HN     49 LEU  QQD     5.84                
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr2= 759, 760, 761, 755, 756, 757,
 &end
#
#  49 LEU  HN     50 GLU- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 765, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  49 LEU  HN     52 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 802, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  49 LEU  HN     92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1446,1454,
 &end
#
#  49 LEU  HN     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  49 LEU  HA     49 LEU  QD1     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2= 755, 756, 757,
 &end
#
#  49 LEU  HA     49 LEU  QD2     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2= 759, 760, 761,
 &end
#
#  49 LEU  HA     52 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 802, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  49 LEU  HA     52 MET  QB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 806, 807,
 &end
#
#  49 LEU  HA     52 MET  QE      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 813, 814, 815,
 &end
#
#  49 LEU  HB2    50 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 765, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  49 LEU  HB3    50 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 765, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  49 LEU  QB     50 GLU- HN      5.64                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 750, 751,
 &end
#
#  49 LEU  QB     53 ILE  HN      7.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
 igr1= 750, 751,
 &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= 750, 751,
 igr2=1448,1452,
 &end
#
#  49 LEU  HG     50 GLU- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 765, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  49 LEU  HG     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  49 LEU  QD1    50 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 755, 756, 757,
 &end
#
#  49 LEU  QD1    72 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= 755, 756, 757,
 igr2=1122,1130,
 &end
#
#  49 LEU  QD1    88 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 755, 756, 757,
 igr2=1374,1379,
 &end
#
#  49 LEU  QD1    92 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= 755, 756, 757,
 igr2=1446,1454,
 &end
#
#  49 LEU  QD1    92 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= 755, 756, 757,
 igr2=1448,1452,
 &end
#
#  49 LEU  QD2    50 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 759, 760, 761,
 &end
#
#  49 LEU  QD2    72 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= 759, 760, 761,
 igr2=1122,1130,
 &end
#
#  49 LEU  QD2    88 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 759, 760, 761,
 igr2=1374,1379,
 &end
#
#  49 LEU  QD2    92 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= 759, 760, 761,
 igr2=1446,1454,
 &end
#
#  49 LEU  QD2    92 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= 759, 760, 761,
 igr2=1448,1452,
 &end
#
#  49 LEU  QQD    52 MET  QB     10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
 igr1= 759, 760, 761, 755, 756, 757,
 igr2= 806, 807,
 &end
#
#  49 LEU  QQD    53 ILE  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 759, 760, 761, 755, 756, 757,
 &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= 759, 760, 761, 755, 756, 757,
 igr2=1118,1119,
 &end
#
#  49 LEU  QQD    72 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= 759, 760, 761, 755, 756, 757,
 igr2=1124,1128,
 &end
#
#  49 LEU  QQD    72 PHE  HZ      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1126, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 759, 760, 761, 755, 756, 757,
 &end
#
#  49 LEU  QQD    88 TYR  QD     11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 759, 760, 761, 755, 756, 757,
 igr2=1372,1381,
 &end
#
#  49 LEU  QQD    92 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= 759, 760, 761, 755, 756, 757,
 igr2=1442,1443,
 &end
#
#  49 LEU  QQD    92 PHE  HZ      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1450, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 759, 760, 761, 755, 756, 757,
 &end
#
#  49 LEU  QQD    96 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= 759, 760, 761, 755, 756, 757,
 igr2=1509,1510,
 &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= 759, 760, 761, 755, 756, 757,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  50 GLU- HN     50 GLU- HG2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 772, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  50 GLU- HN     50 GLU- HG3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 773, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  50 GLU- HN     50 GLU- QG      4.79                
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 772, 773,
 &end
#
#  50 GLU- HN     51 LYS+ HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 780, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  50 GLU- HN     52 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 802, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  50 GLU- HN     92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1446,1454,
 &end
#
#  50 GLU- HN     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  50 GLU- HA     53 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 819, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  50 GLU- HA     92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1446,1454,
 &end
#
#  50 GLU- HA     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  50 GLU- QB     92 PHE  QD      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 769, 770,
 igr2=1446,1454,
 &end
#
#  50 GLU- QB     92 PHE  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 769, 770,
 igr2=1448,1452,
 &end
#
#  50 GLU- HG2    51 LYS+ HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 780, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  50 GLU- HG2    54 GLN  HE21    7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 850, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  50 GLU- HG2    54 GLN  HE22    7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 851, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  50 GLU- HG2    92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1446,1454,
 &end
#
#  50 GLU- HG2    92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  50 GLU- HG3    51 LYS+ HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 780, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  50 GLU- HG3    54 GLN  HE21    7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 850, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  50 GLU- HG3    54 GLN  HE22    7.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 851, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,  &end
#
#  50 GLU- HG3    92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1446,1454,
 &end
#
#  50 GLU- HG3    92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  50 GLU- QG     51 LYS+ HN      5.51                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 772, 773,
 &end
#
#  50 GLU- QG     54 GLN  QE2     6.36                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 772, 773,
 igr2= 850, 851,
 &end
#
#  50 GLU- QG     92 PHE  QD      8.41                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr1= 772, 773,
 igr2=1446,1454,
 &end
#
#  51 LYS+ HN     51 LYS+ QG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 787, 788,
 &end
#
#  51 LYS+ HN     51 LYS+ QD      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2= 790, 791,
 &end
#
#  51 LYS+ HN     51 LYS+ QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2= 793, 794,
 &end
#
#  51 LYS+ HN     52 MET  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 780, 802, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  51 LYS+ HA     51 LYS+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 790, 791,
 &end
#
#  51 LYS+ HA     51 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 793, 794,
 &end
#
#  51 LYS+ HA     53 ILE  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 819, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  51 LYS+ HA     54 GLN  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 838, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  51 LYS+ HA     54 GLN  QB      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 842, 843,
 &end
#
#  51 LYS+ HA     54 GLN  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 845, 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= 782, 846, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  51 LYS+ HA     54 GLN  HE21    5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 LYS+ HA     54 GLN  HE22    5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 851, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &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= 784, 785,
 igr2= 793, 794,
 &end
#
#  51 LYS+ QB     52 MET  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 784, 785,
 &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= 784, 785,
 igr2=2498,2499,2500,
 &end
#
#  51 LYS+ QG     52 MET  HN      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 787, 788,
 &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= 787, 788,
 igr2= 861, 862, 863, 865, 866, 867,
 &end
#
#  51 LYS+ QD     52 MET  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 790, 791,
 &end
#
#  51 LYS+ QD    155 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2441, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 790, 791,
 &end
#
#  51 LYS+ QD    158 ILE  QG1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34,
 igr1= 790, 791,
 igr2=2495,2496,
 &end
#
#  51 LYS+ QE     52 MET  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 793, 794,
 &end
#
#  51 LYS+ QE    155 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2441, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 793, 794,
 &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= 793, 794,
 igr2=2498,2499,2500,
 &end
#
#  52 MET  HN     52 MET  QG      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 809, 810,
 &end
#
#  52 MET  HN     52 MET  QE      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 813, 814, 815,
 &end
#
#  52 MET  HN     53 ILE  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 802, 819, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  52 MET  HN     53 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 832, 833, 834,
 &end
#
#  52 MET  HA     52 MET  QE      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 813, 814, 815,
 &end
#
#  52 MET  HA     54 GLN  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 838, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  52 MET  HA     55 VAL  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 855, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  52 MET  HA     55 VAL  HB      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 859, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  52 MET  HA     55 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 861, 862, 863,
 &end
#
#  52 MET  HA     55 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 865, 866, 867,
 &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= 806, 807,
 igr2= 813, 814, 815,
 &end
#
#  52 MET  QE     53 ILE  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 813, 814, 815,
 &end
#
#  52 MET  QE    136 MET  HG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2141, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 813, 814, 815,
 &end
#
#  52 MET  QE    136 MET  HG3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 813, 814, 815,
 &end
#
#  52 MET  QE    158 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= 813, 814, 815,
 igr2=2498,2499,2500,
 &end
#
#  53 ILE  HN     53 ILE  HB      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 823, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  53 ILE  HN     53 ILE  HG12    5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 829, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  53 ILE  HN     53 ILE  HG13    5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 830, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  53 ILE  HN     53 ILE  QG1     4.69                
 &rst
  ixpk= 0, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 829, 830,
 &end
#
#  53 ILE  HN     53 ILE  QD1     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 832, 833, 834,
 &end
#
#  53 ILE  HN     54 GLN  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  53 ILE  HN     54 GLN  HG2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  53 ILE  HN     54 GLN  HG3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  53 ILE  HN     54 GLN  QG      5.13                
 &rst
  ixpk= 0, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 845, 846,
 &end
#
#  53 ILE  HN     54 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 850, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  53 ILE  HN     54 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 851, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  53 ILE  HA     55 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2= 861, 862, 863, 865, 866, 867,
 &end
#
#  53 ILE  HA     56 VAL  HB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 875, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  53 ILE  HA     57 ASP- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 887, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  53 ILE  HB     54 GLN  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 838, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  53 ILE  QG2    54 GLN  HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 825, 826, 827,
 &end
#
#  53 ILE  QG2    93 SER  HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 825, 826, 827,
 &end
#
#  53 ILE  QG2    93 SER  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 825, 826, 827,
 &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= 825, 826, 827,
 igr2=1462,1463,
 &end
#
#  53 ILE  HG12   54 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 838, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  53 ILE  HG13   54 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 838, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  53 ILE  QG1    54 GLN  HN      5.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 829, 830,
 &end
#
#  53 ILE  QD1    54 GLN  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    56 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    57 ASP- HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    93 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    93 SER  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &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= 832, 833, 834,
 igr2=1462,1463,
 &end
#
#  53 ILE  QD1    95 LYS+ QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 832, 833, 834,
 igr2=1493,1494,
 &end
#
#  53 ILE  QD1    96 LEU  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    96 LEU  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    96 LEU  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  54 GLN  HN     54 GLN  HG2     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 845, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  54 GLN  HN     54 GLN  HG3     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 846, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  54 GLN  HN     54 GLN  QG      4.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 845, 846,
 &end
#
#  54 GLN  HN     54 GLN  HE21    5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 850, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  54 GLN  HN     54 GLN  HE22    5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 851, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  54 GLN  HN     54 GLN  QE2     5.54                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 850, 851,
 &end
#
#  54 GLN  HN     55 VAL  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 855, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  54 GLN  HN     55 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 861, 862, 863,
 &end
#
#  54 GLN  HN     55 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 865, 866, 867,
 &end
#
#  54 GLN  HN     55 VAL  QQG     6.67                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 8.99, r4= 9.49,
 igr2= 861, 862, 863, 865, 866, 867,
 &end
#
#  54 GLN  HN     57 ASP- HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 887, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HN    155 LYS+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,2451, 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= 838,2452, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  54 GLN  HA     54 GLN  HE21    6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 850, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  54 GLN  HA     54 GLN  HE22    6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 851, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  54 GLN  HA     54 GLN  QE2     6.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2= 850, 851,
 &end
#
#  54 GLN  HA     57 ASP- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 887, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  54 GLN  HA     57 ASP- HB2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 891, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  54 GLN  HA     57 ASP- HB3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 892, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  54 GLN  HA     57 ASP- QB      5.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 891, 892,
 &end
#
#  54 GLN  HB2    54 GLN  HE21    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 850, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HB2    54 GLN  HE22    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 851, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HB2    55 VAL  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 855, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  54 GLN  HB2   155 LYS+ HD2     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 842,2451, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  54 GLN  HB2   155 LYS+ HD3     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 842,2452, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  54 GLN  HB3    54 GLN  HE21    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 850, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HB3    54 GLN  HE22    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 851, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HB3    55 VAL  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 855, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  54 GLN  HB3   155 LYS+ HD2     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 843,2451, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  54 GLN  HB3   155 LYS+ HD3     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 843,2452, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &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= 842, 843,
 igr2= 877, 878, 879, 881, 882, 883,
 &end
#
#  54 GLN  QB     57 ASP- QB      7.65                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14,
 igr1= 842, 843,
 igr2= 891, 892,
 &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= 842, 843,
 igr2=2448,2449,
 &end
#
#  54 GLN  QB    155 LYS+ QD      6.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1= 842, 843,
 igr2=2451,2452,
 &end
#
#  54 GLN  HG2    55 VAL  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 855, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  54 GLN  HG2   155 LYS+ HD2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 845,2451, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  HG2   155 LYS+ HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 845,2452, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  HG3    55 VAL  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 855, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  54 GLN  HG3   155 LYS+ HD2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 846,2451, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  HG3   155 LYS+ HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 846,2452, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  QG     55 VAL  HN      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 845, 846,
 &end
#
#  54 GLN  QG    155 LYS+ QG      8.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.56, r4=11.06,
 igr1= 845, 846,
 igr2=2448,2449,
 &end
#
#  54 GLN  QG    155 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= 845, 846,
 igr2=2451,2452,
 &end
#
#  54 GLN  HE21  155 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2448,2449,
 &end
#
#  54 GLN  HE21  155 LYS+ HD2     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 850,2451, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  54 GLN  HE21  155 LYS+ HD3     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 850,2452, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  54 GLN  HE22  155 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2448,2449,
 &end
#
#  54 GLN  HE22  155 LYS+ HD2     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 851,2451, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  54 GLN  HE22  155 LYS+ HD3     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 851,2452, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  54 GLN  QE2   155 LYS+ QG      7.25                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 850, 851,
 igr2=2448,2449,
 &end
#
#  54 GLN  QE2   155 LYS+ QD      6.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 850, 851,
 igr2=2451,2452,
 &end
#
#  55 VAL  HN     55 VAL  HB      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 859, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  55 VAL  HN     56 VAL  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 871, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  55 VAL  HN     57 ASP- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 887, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  55 VAL  HN     58 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 899, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  55 VAL  HN    155 LYS+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 855,2451, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  55 VAL  HN    155 LYS+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 855,2452, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  55 VAL  HN    155 LYS+ QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 855,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=2454,2455,
 &end
#
#  55 VAL  HA     57 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 887, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  55 VAL  HA     58 GLU- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 899, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  55 VAL  HA     58 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 903, 904,
 &end
#
#  55 VAL  HA     58 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 906, 907,
 &end
#
#  55 VAL  HA    155 LYS+ QD      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2451,2452,
 &end
#
#  55 VAL  HA    159 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2508,2509,2510,
 &end
#
#  55 VAL  HB     56 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 871, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  55 VAL  QG1   159 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 861, 862, 863,
 &end
#
#  55 VAL  QG1   159 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 861, 862, 863,
 &end
#
#  55 VAL  QG1   160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2514, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 861, 862, 863,
 &end
#
#  55 VAL  QG2   159 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 865, 866, 867,
 &end
#
#  55 VAL  QG2   159 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2506, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 865, 866, 867,
 &end
#
#  55 VAL  QG2   160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2514, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 865, 866, 867,
 &end
#
#  55 VAL  QQG    56 VAL  HN      8.66                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  55 VAL  QQG    57 ASP- HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  55 VAL  QQG    58 GLU- HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 899, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  55 VAL  QQG   158 ILE  HB      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2489, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  55 VAL  QQG   158 ILE  QG2     9.76                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.80, r4=16.30,
 igr1= 861, 862, 863, 865, 866, 867,
 igr2=2491,2492,2493,
 &end
#
#  55 VAL  QQG   159 ALA  HN      6.71                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  55 VAL  QQG   159 ALA  QB     10.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.29, r4=16.79,
 igr1= 861, 862, 863, 865, 866, 867,
 igr2=2508,2509,2510,
 &end
#
#  55 VAL  QQG   162 ILE  HB      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2539, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  56 VAL  HN     57 ASP- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 887, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  56 VAL  HA     59 ILE  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 914, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  56 VAL  HA     59 ILE  HB      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 918, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  56 VAL  HA     59 ILE  QG2     3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 920, 921, 922,
 &end
#
#  56 VAL  HA     59 ILE  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 927, 928, 929,
 &end
#
#  56 VAL  HA     60 ASP- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 933, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  56 VAL  HA     68 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,1048, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  56 VAL  HA     68 LEU  HB2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,1052, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  56 VAL  HA     68 LEU  HB3     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,1053, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  56 VAL  HA     68 LEU  QB      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2=1052,1053,
 &end
#
#  56 VAL  HA     68 LEU  QQD     5.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2=1061,1062,1063,1057,1058,1059,
 &end
#
#  56 VAL  HB     57 ASP- HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 887, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  56 VAL  QG1    57 ASP- HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1= 877, 878, 879,
 &end
#
#  56 VAL  QG1    68 LEU  HB2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 877, 878, 879,
 &end
#
#  56 VAL  QG1    68 LEU  HB3    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1053, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 877, 878, 879,
 &end
#
#  56 VAL  QG2    57 ASP- HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1= 881, 882, 883,
 &end
#
#  56 VAL  QG2    68 LEU  HB2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 881, 882, 883,
 &end
#
#  56 VAL  QG2    68 LEU  HB3    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1053, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr1= 881, 882, 883,
 &end
#
#  56 VAL  QQG    57 ASP- HN      6.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
 igr1= 877, 878, 879, 881, 882, 883,
 &end
#
#  56 VAL  QQG    68 LEU  HN      8.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1048, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36,
 igr1= 877, 878, 879, 881, 882, 883,
 &end
#
#  56 VAL  QQG    68 LEU  QB      9.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.72, r4=14.22,
 igr1= 877, 878, 879, 881, 882, 883,
 igr2=1052,1053,
 &end
#
#  57 ASP- HN     57 ASP- HB2     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 891, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  57 ASP- HN     57 ASP- HB3     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 892, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  57 ASP- HN     58 GLU- HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 899, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  57 ASP- HN     59 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 918, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- HN     60 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 933, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- HN     61 SER  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 945, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- HN     95 LYS+ QD      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1493,1494,
 &end
#
#  57 ASP- HA     59 ILE  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 914, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  57 ASP- HA     60 ASP- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 933, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  57 ASP- HA     60 ASP- HB2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 937, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  57 ASP- HA     60 ASP- HB3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 938, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  57 ASP- HA     60 ASP- QB      5.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 937, 938,
 &end
#
#  57 ASP- HB2    58 GLU- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 891, 899, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  57 ASP- HB2    59 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 891, 914, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- HB3    58 GLU- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 899, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  57 ASP- HB3    59 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 914, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  57 ASP- QB     58 GLU- HN      4.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 891, 892,
 &end
#
#  57 ASP- QB     59 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 891, 892,
 &end
#
#  58 GLU- HN     58 GLU- QG      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 906, 907,
 &end
#
#  58 GLU- HN     59 ILE  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 914, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  58 GLU- HN     59 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 920, 921, 922,
 &end
#
#  58 GLU- HN     59 ILE  QG1     7.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
 igr2= 924, 925,
 &end
#
#  58 GLU- HN     60 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 933, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  58 GLU- HA     60 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  58 GLU- QB     61 SER  QB      7.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.95, r4=10.45,
 igr1= 903, 904,
 igr2= 949, 950,
 &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= 903, 904,
 igr2=2508,2509,2510,
 &end
#
#  58 GLU- QG     59 ILE  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 906, 907,
 &end
#
#  58 GLU- QG     60 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 906, 907,
 &end
#
#  58 GLU- QG    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= 906, 907,
 igr2=2508,2509,2510,
 &end
#
#  59 ILE  HN     59 ILE  HB      3.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 918, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  59 ILE  HN     59 ILE  HG12    4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 924, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  59 ILE  HN     59 ILE  HG13    4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 925, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  59 ILE  HN     59 ILE  QG1     4.43                
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 924, 925,
 &end
#
#  59 ILE  HN     59 ILE  QD1     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 927, 928, 929,
 &end
#
#  59 ILE  HN     60 ASP- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 933, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  59 ILE  HN     61 SER  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 945, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  59 ILE  HN     62 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 956, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  59 ILE  HN     62 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 969, 970, 971,
 &end
#
#  59 ILE  HA     61 SER  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 945, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  59 ILE  HA     62 ILE  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 956, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  59 ILE  HA     62 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 969, 970, 971,
 &end
#
#  59 ILE  HB     60 ASP- HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 933, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  59 ILE  HB     65 LEU  QB      5.78                
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1007,1008,
 &end
#
#  59 ILE  HB    162 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2548,2549,2550,
 &end
#
#  59 ILE  QG2    60 ASP- HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 920, 921, 922,
 &end
#
#  59 ILE  QG2    67 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 920, 921, 922,
 &end
#
#  59 ILE  HG12   60 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 924, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  59 ILE  HG13   60 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  59 ILE  QG1    60 ASP- HN      5.55                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 924, 925,
 &end
#
#  59 ILE  QG1    61 SER  HN      6.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 924, 925,
 &end
#
#  59 ILE  QD1    60 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 927, 928, 929,
 &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= 927, 928, 929,
 igr2=2508,2509,2510,
 &end
#
#  59 ILE  QD1   160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2514, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 927, 928, 929,
 &end
#
#  59 ILE  QD1   162 ILE  HN      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 927, 928, 929,
 &end
#
#  59 ILE  QD1   162 ILE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 927, 928, 929,
 &end
#
#  59 ILE  QD1   162 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2539, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 927, 928, 929,
 &end
#
#  59 ILE  QD1   162 ILE  QG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 927, 928, 929,
 igr2=2541,2542,2543,
 &end
#
#  59 ILE  QD1   163 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2554, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 927, 928, 929,
 &end
#
#  60 ASP- HN     61 SER  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 945, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  60 ASP- HN     62 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 956, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 ASP- HN     67 ASP- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 933,1038, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  60 ASP- HA     68 LEU  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 935,1048, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  60 ASP- HB2    61 SER  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 945, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  60 ASP- HB2    62 ILE  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 956, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  60 ASP- HB3    61 SER  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 945, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  60 ASP- HB3    62 ILE  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 956, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  60 ASP- QB     61 SER  HN      4.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 937, 938,
 &end
#
#  60 ASP- QB     62 ILE  HN      6.19                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1= 937, 938,
 &end
#
#  61 SER  HN     62 ILE  HB      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 960, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  61 SER  HN     62 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 962, 963, 964,
 &end
#
#  61 SER  HN     62 ILE  HG12    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 966, 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= 945, 967, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  61 SER  HN     62 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 969, 970, 971,
 &end
#
#  61 SER  HN     63 THR  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 975, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  62 ILE  HN     62 ILE  HB      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 960, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  62 ILE  HN     62 ILE  HG12    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 966, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  62 ILE  HN     62 ILE  HG13    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 967, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  62 ILE  HN     62 ILE  QG1     4.99                
 &rst
  ixpk= 0, nxpk= 0, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 966, 967,
 &end
#
#  62 ILE  HN     62 ILE  QD1     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 969, 970, 971,
 &end
#
#  62 ILE  HN     63 THR  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 975, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  62 ILE  HN     64 THR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 989, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  62 ILE  HB     63 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 975, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  62 ILE  HB     64 THR  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 989, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  62 ILE  HB     65 LEU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 960,1003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  62 ILE  QG2    63 THR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 962, 963, 964,
 &end
#
#  62 ILE  QG2    63 THR  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 962, 963, 964,
 &end
#
#  62 ILE  QG2    64 THR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 962, 963, 964,
 &end
#
#  62 ILE  QG2    65 LEU  HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 962, 963, 964,
 &end
#
#  62 ILE  HG12   64 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 989, 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= 967, 989, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  62 ILE  QG1    64 THR  HN      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 966, 967,
 &end
#
#  62 ILE  QG1    65 LEU  HN      6.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 966, 967,
 &end
#
#  62 ILE  QD1    63 THR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 969, 970, 971,
 &end
#
#  62 ILE  QD1    63 THR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 969, 970, 971,
 &end
#
#  63 THR  HN     63 THR  HB      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 975, 979, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  63 THR  HN     64 THR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 975, 989, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  63 THR  HN     65 LEU  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1003, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  63 THR  HA     65 LEU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 977,1003, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  63 THR  QG2    64 THR  HN      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 981, 982, 983,
 &end
#
#  64 THR  HN     64 THR  QG2     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 995, 996, 997,
 &end
#
#  64 THR  HN     65 LEU  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 989,1003, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  64 THR  HN     65 LEU  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1007,1008,
 &end
#
#  64 THR  HB     65 LEU  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1003, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  64 THR  HB    171 LYS+ QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2702,2703,
 &end
#
#  64 THR  HB    171 LYS+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2705,2706,
 &end
#
#  64 THR  QG2    65 LEU  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 995, 996, 997,
 &end
#
#  64 THR  QG2   171 LYS+ HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2695, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr1= 995, 996, 997,
 &end
#
#  64 THR  QG2   173 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2739, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 995, 996, 997,
 &end
#
#  65 LEU  HN     65 LEU  HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1007, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  65 LEU  HN     65 LEU  HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1008, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  65 LEU  HN     65 LEU  QB      3.85                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1007,1008,
 &end
#
#  65 LEU  HN     65 LEU  QD1     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=1012,1013,1014,
 &end
#
#  65 LEU  HN     65 LEU  QD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=1016,1017,1018,
 &end
#
#  65 LEU  HN     65 LEU  QQD     5.75                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr2=1016,1017,1018,1012,1013,1014,
 &end
#
#  65 LEU  HN     66 PRO  HD2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1023, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  65 LEU  HN     66 PRO  HD3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1024, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  65 LEU  HN     66 PRO  QD      4.64                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1023,1024,
 &end
#
#  65 LEU  HA     65 LEU  QD1     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1012,1013,1014,
 &end
#
#  65 LEU  HA     65 LEU  QD2     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1016,1017,1018,
 &end
#
#  65 LEU  HB2    66 PRO  HD2     8.15                
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1023, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,  &end
#
#  65 LEU  HB2    66 PRO  HD3     8.15                
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1024, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,  &end
#
#  65 LEU  HB3    66 PRO  HD2     8.15                
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1023, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,  &end
#
#  65 LEU  HB3    66 PRO  HD3     8.15                
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1024, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,  &end
#
#  65 LEU  QB     66 PRO  QD      7.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1=1007,1008,
 igr2=1023,1024,
 &end
#
#  65 LEU  QD1    66 PRO  HB2     9.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1029, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1012,1013,1014,
 &end
#
#  65 LEU  QD1    66 PRO  HB3     9.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1030, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1012,1013,1014,
 &end
#
#  65 LEU  QD1    66 PRO  HD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=1012,1013,1014,
 &end
#
#  65 LEU  QD1    66 PRO  HD3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1024, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=1012,1013,1014,
 &end
#
#  65 LEU  QD1   163 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2556, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1012,1013,1014,
 &end
#
#  65 LEU  QD1   163 ALA  QB      7.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.25, r4=11.75,
 igr1=1012,1013,1014,
 igr2=2558,2559,2560,
 &end
#
#  65 LEU  QD1   171 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2695, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1012,1013,1014,
 &end
#
#  65 LEU  QD2    66 PRO  HB2     9.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1029, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1016,1017,1018,
 &end
#
#  65 LEU  QD2    66 PRO  HB3     9.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1030, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1016,1017,1018,
 &end
#
#  65 LEU  QD2    66 PRO  HD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=1016,1017,1018,
 &end
#
#  65 LEU  QD2    66 PRO  HD3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1024, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=1016,1017,1018,
 &end
#
#  65 LEU  QD2   163 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2556, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1016,1017,1018,
 &end
#
#  65 LEU  QD2   163 ALA  QB      7.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.25, r4=11.75,
 igr1=1016,1017,1018,
 igr2=2558,2559,2560,
 &end
#
#  65 LEU  QD2   171 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2695, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1016,1017,1018,
 &end
#
#  65 LEU  QQD    66 PRO  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1032, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=1016,1017,1018,1012,1013,1014,
 &end
#
#  65 LEU  QQD    66 PRO  QB      7.55                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.42, r4=11.92,
 igr1=1016,1017,1018,1012,1013,1014,
 igr2=1029,1030,
 &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=1016,1017,1018,1012,1013,1014,
 igr2=1023,1024,
 &end
#
#  65 LEU  QQD   163 ALA  QB      7.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.72, r4=12.22,
 igr1=1016,1017,1018,1012,1013,1014,
 igr2=2558,2559,2560,
 &end
#
#  66 PRO  HA     67 ASP- HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1032,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  66 PRO  HB2    67 ASP- HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1029,1036, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  66 PRO  HB3    67 ASP- HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1036, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  66 PRO  QB     67 ASP- HN      3.85                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1029,1030,
 &end
#
#  66 PRO  HD2    67 ASP- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1036, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  66 PRO  HD3    67 ASP- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1036, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  66 PRO  QD     67 ASP- HN      5.43                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1023,1024,
 &end
#
#  67 ASP- HN     68 LEU  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1048, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  67 ASP- HB2    68 LEU  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1048, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  67 ASP- HB3    68 LEU  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1041,1048, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  68 LEU  HN     68 LEU  HG      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1055, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  68 LEU  HN     68 LEU  QD1     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1057,1058,1059,
 &end
#
#  68 LEU  HN     68 LEU  QD2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1061,1062,1063,
 &end
#
#  68 LEU  HN     68 LEU  QQD     5.24                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=1061,1062,1063,1057,1058,1059,
 &end
#
#  68 LEU  HN     69 THR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  68 LEU  HN     69 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1071, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  68 LEU  HA     68 LEU  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1057,1058,1059,
 &end
#
#  68 LEU  HA     68 LEU  QD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1061,1062,1063,
 &end
#
#  68 LEU  HB2    69 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1067, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  68 LEU  HB3    69 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1067, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &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=1052,1053,
 igr2=1082,1083,
 &end
#
#  68 LEU  QD1    69 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1057,1058,1059,
 &end
#
#  68 LEU  QD2    69 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1061,1062,1063,
 &end
#
#  68 LEU  QQD    69 THR  HN      6.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
 igr1=1061,1062,1063,1057,1058,1059,
 &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=1061,1062,1063,1057,1058,1059,
 igr2=1082,1083,
 &end
#
#  69 THR  HN     69 THR  HG1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1077, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  69 THR  HN     70 PRO  QB      7.03                
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr2=1088,1089,
 &end
#
#  69 THR  HN     70 PRO  QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1082,1083,
 &end
#
#  69 THR  QG2    71 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1095, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1073,1074,1075,
 &end
#
#  69 THR  QG2    71 LEU  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1073,1074,1075,
 &end
#
#  69 THR  QG2    71 LEU  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1073,1074,1075,
 igr2=1104,1105,1106,
 &end
#
#  69 THR  QG2    71 LEU  QD2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1073,1074,1075,
 igr2=1108,1109,1110,
 &end
#
#  69 THR  QG2    96 LEU  HA      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr1=1073,1074,1075,
 &end
#
#  69 THR  QG2    97 VAL  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1073,1074,1075,
 &end
#
#  70 PRO  HA     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  70 PRO  HA     96 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  70 PRO  HB2    71 LEU  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1095, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  70 PRO  HB2    97 VAL  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1524, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  70 PRO  HB3    71 LEU  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1095, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  70 PRO  HB3    97 VAL  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1524, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  70 PRO  QB     71 LEU  HN      4.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1095, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1088,1089,
 &end
#
#  70 PRO  QB     96 LEU  HN      6.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1088,1089,
 &end
#
#  70 PRO  QB     97 VAL  HN      5.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1088,1089,
 &end
#
#  70 PRO  QG     96 LEU  HA      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1085,1086,
 &end
#
#  71 LEU  HN     71 LEU  HG      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1102, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 LEU  HN     71 LEU  QD1     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1104,1105,1106,
 &end
#
#  71 LEU  HN     71 LEU  QD2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1108,1109,1110,
 &end
#
#  71 LEU  HN     71 LEU  QQD     5.86                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 LEU  HN     96 LEU  QQD     8.57                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3=11.55, r4=12.05,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  71 LEU  HA     71 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1104,1105,1106,
 &end
#
#  71 LEU  HA     71 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1108,1109,1110,
 &end
#
#  71 LEU  HA     97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1524, 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=1097,1528, 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=1097,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  71 LEU  HB2    72 PHE  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  71 LEU  HB3    72 PHE  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  71 LEU  QB     72 PHE  HN      4.26                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1099,1100,
 &end
#
#  71 LEU  QB     73 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=1099,1100,
 igr2=1147,1148,1149,
 &end
#
#  71 LEU  QB     97 VAL  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1099,1100,
 &end
#
#  71 LEU  QB     99 LEU  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1099,1100,
 &end
#
#  71 LEU  HG     72 PHE  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1114, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  71 LEU  HG     97 VAL  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1524, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  71 LEU  QD1    72 PHE  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1=1104,1105,1106,
 &end
#
#  71 LEU  QD1    97 VAL  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1104,1105,1106,
 &end
#
#  71 LEU  QD2    72 PHE  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1=1108,1109,1110,
 &end
#
#  71 LEU  QD2    97 VAL  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1108,1109,1110,
 &end
#
#  71 LEU  QQD    72 PHE  HN      6.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
 igr1=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 LEU  QQD    72 PHE  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 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=1108,1109,1110,1104,1105,1106,
 igr2=1147,1148,1149,
 &end
#
#  71 LEU  QQD    97 VAL  HN      8.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46,
 igr1=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 LEU  QQD    97 VAL  HB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 LEU  QQD    97 VAL  QQG    11.23                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=20.41, r4=20.91,
 igr1=1108,1109,1110,1104,1105,1106,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  71 LEU  QQD    98 GLY  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 LEU  QQD    99 LEU  QQD     7.54                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.70, r4=14.20,
 igr1=1108,1109,1110,1104,1105,1106,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  72 PHE  HN     72 PHE  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1124,1128,
 &end
#
#  72 PHE  HN     73 ILE  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1134, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  72 PHE  HN     73 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1147,1148,1149,
 &end
#
#  72 PHE  HN     97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HN     97 VAL  HB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1528, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  72 PHE  HN     97 VAL  QQG     8.46                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3=11.40, r4=11.90,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  72 PHE  HN     98 GLY  HA2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1542, 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=1114,1543, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HN     98 GLY  QA      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2=1542,1543,
 &end
#
#  72 PHE  HN     99 LEU  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1547, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  72 PHE  HA     73 ILE  HB      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1138, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  72 PHE  HA     73 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1140,1141,1142,
 &end
#
#  72 PHE  HA     73 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1147,1148,1149,
 &end
#
#  72 PHE  HA     96 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  72 PHE  HB2    73 ILE  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1134, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  72 PHE  HB3    73 ILE  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1134, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  72 PHE  QB     97 VAL  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1118,1119,
 &end
#
#  72 PHE  QB     98 GLY  QA      8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1=1118,1119,
 igr2=1542,1543,
 &end
#
#  72 PHE  QD     73 ILE  HN      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
 igr1=1122,1130,
 &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=1122,1130,
 igr2=1327,1328,1329,
 &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=1122,1130,
 igr2=1334,1335,1336,
 &end
#
#  72 PHE  QD     88 TYR  QE     10.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86,
 igr1=1122,1130,
 igr2=1374,1379,
 &end
#
#  72 PHE  QD     89 VAL  HN      7.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
 igr1=1122,1130,
 &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=1122,1130,
 igr2=1514,1515,1516,
 &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=1122,1130,
 igr2=1518,1519,1520,
 &end
#
#  72 PHE  QD     98 GLY  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1122,1130,
 &end
#
#  72 PHE  QD     98 GLY  HA2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1122,1130,
 &end
#
#  72 PHE  QD     98 GLY  HA3     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1122,1130,
 &end
#
#  72 PHE  QD     99 LEU  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1122,1130,
 &end
#
#  72 PHE  QE     73 ILE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1124,1128,
 &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=1124,1128,
 igr2=1327,1328,1329,
 &end
#
#  72 PHE  QE     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=1124,1128,
 igr2=1334,1335,1336,
 &end
#
#  72 PHE  QE     97 VAL  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1124,1128,
 &end
#
#  73 ILE  HN     73 ILE  QG1     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=1144,1145,
 &end
#
#  73 ILE  HN     73 ILE  QD1     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2=1147,1148,1149,
 &end
#
#  73 ILE  HA     74 SER  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1153, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  73 ILE  HA     99 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1547, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  73 ILE  HA     99 LEU  HB2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1551, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  73 ILE  HA     99 LEU  HB3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1552, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  73 ILE  HA     99 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1556,1557,1558,
 &end
#
#  73 ILE  HA     99 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1560,1561,1562,
 &end
#
#  73 ILE  HB     74 SER  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  73 ILE  HB    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  73 ILE  QG2    74 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1140,1141,1142,
 &end
#
#  73 ILE  QG2    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1140,1141,1142,
 &end
#
#  73 ILE  QG2    99 LEU  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1140,1141,1142,
 &end
#
#  73 ILE  QG2    99 LEU  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1140,1141,1142,
 &end
#
#  73 ILE  QG2    99 LEU  QQD    10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.46, r4=16.96,
 igr1=1140,1141,1142,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  73 ILE  QG2   106 VAL  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1657, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1140,1141,1142,
 &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=1140,1141,1142,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
#  73 ILE  QG2   109 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1140,1141,1142,
 &end
#
#  73 ILE  QG2   109 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=1140,1141,1142,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  73 ILE  QG1    74 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1144,1145,
 &end
#
#  73 ILE  QG1    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1144,1145,
 &end
#
#  73 ILE  QD1    74 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1147,1148,1149,
 &end
#
#  73 ILE  QD1    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1147,1148,1149,
 &end
#
#  73 ILE  QD1    99 LEU  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1147,1148,1149,
 &end
#
#  73 ILE  QD1    99 LEU  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1147,1148,1149,
 &end
#
#  73 ILE  QD1    99 LEU  QQD     5.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16,
 igr1=1147,1148,1149,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  73 ILE  QD1   100 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1147,1148,1149,
 &end
#
#  73 ILE  QD1   109 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1147,1148,1149,
 &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=1147,1148,1149,
 igr2=1706,1707,1708,
 &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=1147,1148,1149,
 igr2=1710,1711,1712,
 &end
#
#  73 ILE  QD1   113 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1147,1148,1149,
 igr2=1770,1775,
 &end
#
#  74 SER  HN     99 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1547, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  74 SER  HN     99 LEU  HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1551, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  74 SER  HN     99 LEU  HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1552, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  74 SER  HN     99 LEU  QB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1551,1552,
 &end
#
#  74 SER  HN    100 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1572,1573,1574,
 &end
#
#  74 SER  HA     76 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  74 SER  HB2    75 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1164, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  74 SER  HB2    76 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  74 SER  HB2    85 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1331,1332,
 &end
#
#  74 SER  HB2    85 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1334,1335,1336,
 &end
#
#  74 SER  HB3    75 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1164, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  74 SER  HB3    76 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  74 SER  HB3    85 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1331,1332,
 &end
#
#  74 SER  HB3    85 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1334,1335,1336,
 &end
#
#  74 SER  QB    100 THR  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1157,1158,
 &end
#
#  74 SER  QB    101 GLY  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1157,1158,
 &end
#
#  75 ILE  HN     75 ILE  HG12    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1174, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  75 ILE  HN     75 ILE  HG13    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1175, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  75 ILE  HN     75 ILE  QG1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1174,1175,
 &end
#
#  75 ILE  HN     75 ILE  QD1     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2=1177,1178,1179,
 &end
#
#  75 ILE  HN     76 ASP- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1183, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  75 ILE  HN     76 ASP- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1185, 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=1166,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
#  75 ILE  QG2    76 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1170,1171,1172,
 &end
#
#  75 ILE  QG2   106 VAL  QQG     9.96                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.12, r4=16.62,
 igr1=1170,1171,1172,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
#  75 ILE  QG2   107 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1170,1171,1172,
 &end
#
#  75 ILE  QG2   109 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1170,1171,1172,
 &end
#
#  75 ILE  QG2   110 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1170,1171,1172,
 &end
#
#  75 ILE  QG2   110 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=1170,1171,1172,
 igr2=1720,1721,1722,
 &end
#
#  75 ILE  QG2   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=1170,1171,1172,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
#  75 ILE  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=1170,1171,1172,
 igr2=1850,1859,
 &end
#
#  75 ILE  QG2   117 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1170,1171,1172,
 igr2=1852,1857,
 &end
#
#  75 ILE  HG12   76 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  75 ILE  HG13   76 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1175,1183, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  75 ILE  QD1    76 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1177,1178,1179,
 &end
#
#  75 ILE  QD1   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=1177,1178,1179,
 igr2=1850,1859,
 &end
#
#  75 ILE  QD1   117 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1177,1178,1179,
 igr2=1852,1857,
 &end
#
#  75 ILE  QD1   118 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1177,1178,1179,
 &end
#
#  75 ILE  QD1   130 VAL  HB      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2041, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1177,1178,1179,
 &end
#
#  75 ILE  QD1   130 VAL  QQG     9.46                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.31, r4=15.81,
 igr1=1177,1178,1179,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
#  75 ILE  QD1   132 HIS  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1177,1178,1179,
 &end
#
#  76 ASP- HN     77 PRO  HA      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1183,1205, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  76 ASP- HN     78 GLU- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1183,1209, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  76 ASP- HN     79 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1234,1235,
 &end
#
#  76 ASP- HA     78 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1209, 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=1185,2041, 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=1205,1224, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  77 PRO  HA     80 ASP- HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1248, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  77 PRO  HA    101 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1580, 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=1205,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
#  77 PRO  HB2    78 GLU- HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  77 PRO  HB2   101 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1580, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  77 PRO  HB3    78 GLU- HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  77 PRO  HB3   101 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1580, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  77 PRO  QB     78 GLU- HN      4.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1202,1203,
 &end
#
#  77 PRO  QB    101 GLY  HN      5.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1202,1203,
 &end
#
#  77 PRO  QB    102 THR  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1202,1203,
 &end
#
#  77 PRO  QG    101 GLY  HN      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1199,1200,
 &end
#
#  77 PRO  QG    102 THR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1199,1200,
 &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=1199,1200,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
#  77 PRO  HD2    78 GLU- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1209, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  77 PRO  HD2   106 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1196,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1661,1662,1663,
 &end
#
#  77 PRO  HD2   106 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1196,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1665,1666,1667,
 &end
#
#  77 PRO  HD3    78 GLU- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1209, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  77 PRO  HD3   106 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1197,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1661,1662,1663,
 &end
#
#  77 PRO  HD3   106 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1197,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1665,1666,1667,
 &end
#
#  77 PRO  QD    100 THR  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1196,1197,
 &end
#
#  77 PRO  QD    101 GLY  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1196,1197,
 &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=1196,1197,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
#  78 GLU- HN     78 GLU- QB      3.81                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1213,1214,
 &end
#
#  78 GLU- HN     78 GLU- HG2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1216, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  78 GLU- HN     78 GLU- HG3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1217, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  78 GLU- HN     78 GLU- QG      4.75                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1216,1217,
 &end
#
#  78 GLU- HN     79 ARG+ HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1224, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  78 GLU- HA     80 ASP- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1248, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  78 GLU- HB2    79 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1224, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  78 GLU- HB2   128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &end
#
#  78 GLU- HB3    79 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1214,1224, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  78 GLU- HB3   128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &end
#
#  78 GLU- QB     79 ARG+ HN      4.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1213,1214,
 &end
#
#  78 GLU- QB    128 TYR  QD      8.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.56, r4=11.06,
 igr1=1213,1214,
 igr2=2005,2014,
 &end
#
#  78 GLU- QG     79 ARG+ HN      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1216,1217,
 &end
#
#  79 ARG+ HN     79 ARG+ HG2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1231, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  79 ARG+ HN     79 ARG+ HG3     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1232, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  79 ARG+ HN     79 ARG+ QD      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=1234,1235,
 &end
#
#  79 ARG+ HN     80 ASP- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1248, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  79 ARG+ HA     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=1234,1235,
 &end
#
#  79 ARG+ HG2    80 ASP- HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  79 ARG+ HG3    80 ASP- HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  79 ARG+ QG     80 ASP- HN      5.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=1231,1232,
 &end
#
#  79 ARG+ QD     80 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1234,1235,
 &end
#
#  79 ARG+ QD     81 THR  HN      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1234,1235,
 &end
#
#  80 ASP- HN     81 THR  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1260, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  80 ASP- HA     82 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1274, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  80 ASP- HA     84 ALA  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1311, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  80 ASP- HA     84 ALA  QB      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1250,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1315,1316,1317,
 &end
#
#  80 ASP- QB     85 ILE  QG1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34,
 igr1=1252,1253,
 igr2=1331,1332,
 &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=1252,1253,
 igr2=1334,1335,1336,
 &end
#
#  81 THR  HN     82 LYS+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1274, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  81 THR  HN     84 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  81 THR  HN     84 ALA  QB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1315,1316,1317,
 &end
#
#  81 THR  HA     82 LYS+ HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1278, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  81 THR  HA     82 LYS+ HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1279, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  81 THR  HA     82 LYS+ QB      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2=1278,1279,
 &end
#
#  81 THR  HA     83 GLU- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81 THR  HB     82 LYS+ HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1274, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  81 THR  HB     83 GLU- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1296, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  81 THR  QG2    82 LYS+ HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=1266,1267,1268,
 &end
#
#  81 THR  QG2    83 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1266,1267,1268,
 &end
#
#  81 THR  QG2    84 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1266,1267,1268,
 &end
#
#  82 LYS+ HN     82 LYS+ HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1281, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  82 LYS+ HN     82 LYS+ HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1282, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  82 LYS+ HN     82 LYS+ QG      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1281,1282,
 &end
#
#  82 LYS+ HN     82 LYS+ QD      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2=1284,1285,
 &end
#
#  82 LYS+ HN     82 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1287,1288,
 &end
#
#  82 LYS+ HN     83 GLU- HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1296, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  82 LYS+ HA     82 LYS+ HD2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1284, 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=1276,1285, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  82 LYS+ HA     82 LYS+ QD      5.87                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1284,1285,
 &end
#
#  82 LYS+ HA     82 LYS+ QE      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2=1287,1288,
 &end
#
#  82 LYS+ HA     84 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1311, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  82 LYS+ HA     85 ILE  HB      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1325, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 LYS+ HA     85 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1331,1332,
 &end
#
#  82 LYS+ HA     85 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1334,1335,1336,
 &end
#
#  82 LYS+ HB2    82 LYS+ QE      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1287,1288,
 &end
#
#  82 LYS+ HB2    83 GLU- HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1296, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  82 LYS+ HB3    82 LYS+ QE      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1287,1288,
 &end
#
#  82 LYS+ HB3    83 GLU- HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1296, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  82 LYS+ QB     82 LYS+ QE      6.46                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
 igr1=1278,1279,
 igr2=1287,1288,
 &end
#
#  82 LYS+ QB     83 GLU- HN      4.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1278,1279,
 &end
#
#  82 LYS+ HG2    83 GLU- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1296, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  82 LYS+ HG3    83 GLU- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1282,1296, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  82 LYS+ HD2    83 GLU- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1284,1296, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  82 LYS+ HD3    83 GLU- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1285,1296, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  82 LYS+ QD     83 GLU- HN      4.93                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1284,1285,
 &end
#
#  83 GLU- HN     83 GLU- HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1300, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  83 GLU- HN     83 GLU- HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1301, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  83 GLU- HN     83 GLU- HG2     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1303, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  83 GLU- HN     83 GLU- HG3     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1304, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  83 GLU- HN     83 GLU- QG      4.42                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1303,1304,
 &end
#
#  83 GLU- HN     84 ALA  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1311, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  83 GLU- HN     84 ALA  QB      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1315,1316,1317,
 &end
#
#  83 GLU- HN     85 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1334,1335,1336,
 &end
#
#  83 GLU- HA     85 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1321, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  83 GLU- HA     86 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1340, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  83 GLU- HA     86 ALA  QB      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1344,1345,1346,
 &end
#
#  83 GLU- HA     87 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1350, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  83 GLU- HB2    84 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1311, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  83 GLU- HB3    84 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1301,1311, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  83 GLU- HG2    84 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1303,1311, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  83 GLU- HG3    84 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1311, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  83 GLU- QG     84 ALA  HN      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1=1303,1304,
 &end
#
#  84 ALA  HN     85 ILE  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1321, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  84 ALA  HN     85 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1327,1328,1329,
 &end
#
#  84 ALA  HN     85 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1331,1332,
 &end
#
#  84 ALA  HN     86 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1340, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  84 ALA  HA     86 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1340, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  84 ALA  HA     87 ASN  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  84 ALA  HA     87 ASN  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1354, 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=1313,1355, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  84 ALA  HA     87 ASN  QB      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2=1354,1355,
 &end
#
#  84 ALA  QB     85 ILE  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1315,1316,1317,
 &end
#
#  84 ALA  QB     86 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr1=1315,1316,1317,
 &end
#
#  84 ALA  QB     87 ASN  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=1315,1316,1317,
 &end
#
#  84 ALA  QB     87 ASN  HD21    7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1315,1316,1317,
 &end
#
#  84 ALA  QB     87 ASN  HD22    7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1315,1316,1317,
 &end
#
#  85 ILE  HN     85 ILE  QG2     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1327,1328,1329,
 &end
#
#  85 ILE  HN     85 ILE  QG1     7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1331,1332,
 &end
#
#  85 ILE  HN     85 ILE  QD1     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1334,1335,1336,
 &end
#
#  85 ILE  HN     86 ALA  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1340, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  85 ILE  HN     86 ALA  QB      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=1344,1345,1346,
 &end
#
#  85 ILE  HN     87 ASN  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1350, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  85 ILE  HA     87 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1350, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  85 ILE  HA     88 TYR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  85 ILE  HA     88 TYR  HB2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1368, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  85 ILE  HA     88 TYR  HB3     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1369, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  85 ILE  HA     88 TYR  QB      5.94                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1368,1369,
 &end
#
#  85 ILE  HB     86 ALA  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1340, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  85 ILE  HB     87 ASN  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1350, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  85 ILE  QG2    86 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    86 ALA  QB      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.11, r4=12.61,
 igr1=1327,1328,1329,
 igr2=1344,1345,1346,
 &end
#
#  85 ILE  QG2    87 ASN  HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    88 TYR  HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    89 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    97 VAL  HA      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    98 GLY  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    98 GLY  HA2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    98 GLY  HA3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG1    86 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1331,1332,
 &end
#
#  85 ILE  QD1    86 ALA  HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1=1334,1335,1336,
 &end
#
#  85 ILE  QD1    99 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1334,1335,1336,
 &end
#
#  85 ILE  QD1   100 THR  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1334,1335,1336,
 &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=1334,1335,1336,
 igr2=1572,1573,1574,
 &end
#
#  85 ILE  QD1   100 THR  HG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1576, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1334,1335,1336,
 &end
#
#  86 ALA  HN     86 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1340,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=1344,1345,1346,
 &end
#
#  86 ALA  HN     87 ASN  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1340,1350, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  86 ALA  HN     89 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1340,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1391,1392,1393,1395,1396,1397,
 &end
#
#  86 ALA  HA     88 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,1364, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  86 ALA  HA     89 VAL  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,1385, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  86 ALA  HA     89 VAL  HB      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,1389, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  86 ALA  HA     89 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1391,1392,1393,
 &end
#
#  86 ALA  HA     89 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1395,1396,1397,
 &end
#
#  86 ALA  QB     87 ASN  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1344,1345,1346,
 &end
#
#  86 ALA  QB     87 ASN  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1344,1345,1346,
 &end
#
#  86 ALA  QB     89 VAL  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1344,1345,1346,
 &end
#
#  87 ASN  HN     87 ASN  HB2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  87 ASN  HN     87 ASN  HB3     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1355, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  87 ASN  HN     87 ASN  HD21    5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1359, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  87 ASN  HN     87 ASN  HD22    5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1360, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  87 ASN  HN     87 ASN  QD2     5.25                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1359,1360,
 &end
#
#  87 ASN  HN     89 VAL  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1385, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  87 ASN  HN     89 VAL  QQG     9.06                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3=12.21, r4=12.71,
 igr2=1391,1392,1393,1395,1396,1397,
 &end
#
#  87 ASN  HN     90 LYS+ HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1401, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  87 ASN  HA     87 ASN  HD21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1359, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  87 ASN  HA     87 ASN  HD22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1360, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  87 ASN  HA     90 LYS+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1401, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  87 ASN  HA     90 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1414,1415,
 &end
#
#  87 ASN  HB2    88 TYR  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1364, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  87 ASN  HB2    90 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1401, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  87 ASN  HB2    90 LYS+ QG      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1354,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1408,1409,
 &end
#
#  87 ASN  HB3    88 TYR  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1364, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  87 ASN  HB3    90 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1401, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  87 ASN  HB3    90 LYS+ QG      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1408,1409,
 &end
#
#  87 ASN  QB     88 TYR  HN      4.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1354,1355,
 &end
#
#  87 ASN  QB     90 LYS+ QG      6.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16,
 igr1=1354,1355,
 igr2=1408,1409,
 &end
#
#  87 ASN  QD2    89 VAL  HB      7.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
 igr1=1359,1360,
 &end
#
#  88 TYR  HN     88 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1374,1379,
 &end
#
#  88 TYR  HN     89 VAL  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1385, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  88 TYR  HN     89 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1391,1392,1393,
 &end
#
#  88 TYR  HN     89 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1395,1396,1397,
 &end
#
#  88 TYR  HN     90 LYS+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1401, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  88 TYR  HN     91 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1423, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  88 TYR  HA     91 GLU- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1423, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  88 TYR  HB2    89 VAL  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1385, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  88 TYR  HB3    89 VAL  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1385, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &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=1372,1381,
 igr2=1391,1392,1393,1395,1396,1397,
 &end
#
#  88 TYR  QE     89 VAL  HN      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
 igr1=1374,1379,
 &end
#
#  89 VAL  HN     90 LYS+ HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1401, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  89 VAL  HN     90 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1408,1409,
 &end
#
#  89 VAL  HN     90 LYS+ QD      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1411,1412,
 &end
#
#  89 VAL  HN     91 GLU- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1423, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  89 VAL  HN     92 PHE  QD      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
 igr2=1446,1454,
 &end
#
#  89 VAL  HN     96 LEU  QQD     8.97                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3=12.09, r4=12.59,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  89 VAL  HA     92 PHE  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,1438, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  89 VAL  HA     92 PHE  QD      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=1446,1454,
 &end
#
#  89 VAL  HA     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=1518,1519,1520,1514,1515,1516,
 &end
#
#  89 VAL  QG1    90 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1391,1392,1393,
 &end
#
#  89 VAL  QG1    90 LYS+ HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1391,1392,1393,
 &end
#
#  89 VAL  QG1    98 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1391,1392,1393,
 &end
#
#  89 VAL  QG2    90 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1395,1396,1397,
 &end
#
#  89 VAL  QG2    90 LYS+ HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1395,1396,1397,
 &end
#
#  89 VAL  QG2    98 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1395,1396,1397,
 &end
#
#  89 VAL  QQG    90 LYS+ HN      5.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr1=1391,1392,1393,1395,1396,1397,
 &end
#
#  89 VAL  QQG    91 GLU- HN      7.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1391,1392,1393,1395,1396,1397,
 &end
#
#  89 VAL  QQG    92 PHE  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1438, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1391,1392,1393,1395,1396,1397,
 &end
#
#  89 VAL  QQG    92 PHE  QE     11.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
 igr1=1391,1392,1393,1395,1396,1397,
 igr2=1448,1452,
 &end
#
#  89 VAL  QQG    93 SER  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1391,1392,1393,1395,1396,1397,
 &end
#
#  89 VAL  QQG    97 VAL  HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1391,1392,1393,1395,1396,1397,
 &end
#
#  89 VAL  QQG    98 GLY  QA     10.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69,
 igr1=1391,1392,1393,1395,1396,1397,
 igr2=1542,1543,
 &end
#
#  90 LYS+ HN     90 LYS+ QG      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1408,1409,
 &end
#
#  90 LYS+ HN     90 LYS+ QD      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2=1411,1412,
 &end
#
#  90 LYS+ HN     90 LYS+ QE      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=1414,1415,
 &end
#
#  90 LYS+ HN     91 GLU- HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,1423, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  90 LYS+ HN     91 GLU- QG      6.78                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2=1430,1431,
 &end
#
#  90 LYS+ HN     92 PHE  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,1438, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  90 LYS+ HN     92 PHE  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1448,1452,
 &end
#
#  90 LYS+ HA     90 LYS+ QD      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=1411,1412,
 &end
#
#  90 LYS+ HA     90 LYS+ QE      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=1414,1415,
 &end
#
#  90 LYS+ HA     93 SER  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1458, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  90 LYS+ QB     90 LYS+ QE      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57,
 igr1=1405,1406,
 igr2=1414,1415,
 &end
#
#  90 LYS+ QB     91 GLU- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1405,1406,
 &end
#
#  90 LYS+ QG     91 GLU- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1408,1409,
 &end
#
#  90 LYS+ QG     93 SER  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1408,1409,
 &end
#
#  90 LYS+ QD     91 GLU- HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1411,1412,
 &end
#
#  90 LYS+ QD     93 SER  HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1411,1412,
 &end
#
#  90 LYS+ QE     91 GLU- HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1414,1415,
 &end
#
#  91 GLU- HN     91 GLU- HB2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1427, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  91 GLU- HN     91 GLU- HB3     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1428, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  91 GLU- HN     91 GLU- QB      3.46                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1427,1428,
 &end
#
#  91 GLU- HN     91 GLU- HG2     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1430, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  91 GLU- HN     91 GLU- HG3     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1431, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  91 GLU- HN     91 GLU- QG      4.11                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1430,1431,
 &end
#
#  91 GLU- HN     92 PHE  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  91 GLU- HN     92 PHE  QD      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr2=1446,1454,
 &end
#
#  91 GLU- HN     92 PHE  QE      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr2=1448,1452,
 &end
#
#  91 GLU- HA     92 PHE  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,1440, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  91 GLU- HA     92 PHE  QD      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr2=1446,1454,
 &end
#
#  91 GLU- HA     93 SER  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,1458, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  91 GLU- HB2    92 PHE  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1427,1438, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  91 GLU- HB3    92 PHE  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1428,1438, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  91 GLU- HG2    92 PHE  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1438, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  91 GLU- HG3    92 PHE  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1431,1438, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  91 GLU- QG     92 PHE  HN      5.65                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=1430,1431,
 &end
#
#  92 PHE  HN     92 PHE  QE      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1448,1452,
 &end
#
#  92 PHE  HN     92 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,1450, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  92 PHE  HN     93 SER  QB      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=1462,1463,
 &end
#
#  92 PHE  HN     96 LEU  QB      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=1509,1510,
 &end
#
#  92 PHE  HN     96 LEU  QQD     8.87                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  92 PHE  HA     92 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1440,1450, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  92 PHE  HB2    93 SER  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1442,1458, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  92 PHE  HB2    96 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1442,1505, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  92 PHE  HB2    96 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=1442,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1514,1515,1516,
 &end
#
#  92 PHE  HB2    96 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=1442,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1518,1519,1520,
 &end
#
#  92 PHE  HB3    93 SER  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1443,1458, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  92 PHE  HB3    96 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1443,1505, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  92 PHE  HB3    96 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=1443,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1514,1515,1516,
 &end
#
#  92 PHE  HB3    96 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=1443,  -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr2=1518,1519,1520,
 &end
#
#  92 PHE  QB     93 SER  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1442,1443,
 &end
#
#  92 PHE  QB     96 LEU  HN      6.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1=1442,1443,
 &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=1442,1443,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  92 PHE  QD     93 SER  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1446,1454,
 &end
#
#  92 PHE  QE     93 SER  HN      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr1=1448,1452,
 &end
#
#  92 PHE  QE     96 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=1448,1452,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  93 SER  HN     94 PRO  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1479, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  93 SER  HN     94 PRO  QB      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2=1476,1477,
 &end
#
#  93 SER  HN     95 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1483, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  93 SER  HN     96 LEU  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1505, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  93 SER  HN     96 LEU  HB2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1509, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  93 SER  HN     96 LEU  HB3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1510, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  93 SER  HN     96 LEU  QB      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1509,1510,
 &end
#
#  93 SER  HN     96 LEU  QQD     8.07                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  93 SER  HA     94 PRO  QB      6.23                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr2=1476,1477,
 &end
#
#  93 SER  HA     95 LYS+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1483, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  93 SER  HA     96 LEU  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1505, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  93 SER  QB     95 LYS+ HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1462,1463,
 &end
#
#  93 SER  QB     96 LEU  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1462,1463,
 &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=1462,1463,
 igr2=1509,1510,
 &end
#
#  94 PRO  HA     96 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1479,1505, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  94 PRO  HB2    95 LYS+ HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1476,1483, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  94 PRO  HB3    95 LYS+ HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1477,1483, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  94 PRO  QB     95 LYS+ HN      4.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1476,1477,
 &end
#
#  94 PRO  HD2    95 LYS+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1483, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  94 PRO  HD2    96 LEU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1505, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  94 PRO  HD3    95 LYS+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1471,1483, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  94 PRO  HD3    96 LEU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1471,1505, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  94 PRO  QD     95 LYS+ HN      5.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1470,1471,
 &end
#
#  94 PRO  QD     96 LEU  HN      5.63                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1470,1471,
 &end
#
#  95 LYS+ HN     95 LYS+ QG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1490,1491,
 &end
#
#  95 LYS+ HN     95 LYS+ QD      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1493,1494,
 &end
#
#  95 LYS+ HN     96 LEU  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1483,1505, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  95 LYS+ HN     96 LEU  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2=1509,1510,
 &end
#
#  95 LYS+ HA     95 LYS+ QD      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=1493,1494,
 &end
#
#  95 LYS+ QG     96 LEU  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1490,1491,
 &end
#
#  95 LYS+ QD     96 LEU  HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1=1493,1494,
 &end
#
#  96 LEU  HN     96 LEU  HB2     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1509, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  96 LEU  HN     96 LEU  HB3     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1510, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  96 LEU  HN     96 LEU  QB      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1509,1510,
 &end
#
#  96 LEU  HN     96 LEU  HG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1512, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  96 LEU  HN     96 LEU  QD1     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=1514,1515,1516,
 &end
#
#  96 LEU  HN     96 LEU  QD2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=1518,1519,1520,
 &end
#
#  96 LEU  HN     96 LEU  QQD     4.86                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  96 LEU  HN     97 VAL  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1524, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  96 LEU  HA     96 LEU  HG      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1507,1512, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  96 LEU  HA     96 LEU  QD1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1514,1515,1516,
 &end
#
#  96 LEU  HA     96 LEU  QD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1518,1519,1520,
 &end
#
#  96 LEU  HB2    97 VAL  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1509,1524, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  96 LEU  HB3    97 VAL  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1510,1524, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  96 LEU  QB     97 VAL  HN      4.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1509,1510,
 &end
#
#  96 LEU  QD1    97 VAL  HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1=1514,1515,1516,
 &end
#
#  96 LEU  QD2    97 VAL  HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1=1518,1519,1520,
 &end
#
#  97 VAL  HN     98 GLY  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1524,1540, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  97 VAL  HB     98 GLY  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1528,1540, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  97 VAL  HB     99 LEU  QQD     6.67                
 &rst
  ixpk= 0, nxpk= 0, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 8.99, r4= 9.49,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  97 VAL  QQG    98 GLY  HN      8.36                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3=11.27, r4=11.77,
 igr1=1530,1531,1532,1534,1535,1536,
 &end
#
#  98 GLY  HN     99 LEU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1540,1547, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  98 GLY  HN     99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1540,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  99 LEU  HN     99 LEU  HG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1547,1554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  99 LEU  HN     99 LEU  QD1     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1547,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1556,1557,1558,
 &end
#
#  99 LEU  HN     99 LEU  QD2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1547,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1560,1561,1562,
 &end
#
#  99 LEU  HN    100 THR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1547,1566, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  99 LEU  HA     99 LEU  QD1     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1549,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2=1556,1557,1558,
 &end
#
#  99 LEU  HA     99 LEU  QD2     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1549,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2=1560,1561,1562,
 &end
#
#  99 LEU  HA    100 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1549,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1572,1573,1574,
 &end
#
#  99 LEU  HB2   100 THR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1551,1566, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  99 LEU  HB3   100 THR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1552,1566, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  99 LEU  QB    100 THR  HN      4.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1551,1552,
 &end
#
#  99 LEU  HG    100 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1554,1566, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  99 LEU  QD1   100 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1556,1557,1558,
 &end
#
#  99 LEU  QD2   100 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1560,1561,1562,
 &end
#
#  99 LEU  QQD   100 THR  HN      6.49                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1560,1561,1562,1556,1557,1558,
 &end
#
# 100 THR  HN    100 THR  QG2     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1566,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1572,1573,1574,
 &end
#
# 100 THR  HN    100 THR  HG1     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1566,1576, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 100 THR  HN    101 GLY  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1566,1580, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 100 THR  HA    101 GLY  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1580, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 100 THR  HA    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1568,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
# 100 THR  HB    101 GLY  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1570,1580, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 100 THR  QG2   101 GLY  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1572,1573,1574,
 &end
#
# 100 THR  HG1   101 GLY  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1576,1580, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 101 GLY  HN    102 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1587, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 101 GLY  HN    102 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 101 GLY  HN    102 THR  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1593,1594,1595,
 &end
#
# 101 GLY  HN    105 GLU- QG      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1647,1648,
 &end
#
# 101 GLY  HN    106 VAL  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1655, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 101 GLY  HN    106 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1661,1662,1663,
 &end
#
# 101 GLY  HN    106 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1665,1666,1667,
 &end
#
# 101 GLY  HN    106 VAL  QQG     7.24                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
# 101 GLY  HA2   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=1647,1648,
 &end
#
# 101 GLY  HA3   105 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1647,1648,
 &end
#
# 101 GLY  QA    102 THR  QG2     6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
 igr1=1582,1583,
 igr2=1593,1594,1595,
 &end
#
# 102 THR  HN    102 THR  QG2     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1593,1594,1595,
 &end
#
# 102 THR  HN    102 THR  HG1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1597, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 102 THR  HN    103 ARG+ HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1601, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 102 THR  HN    105 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 102 THR  HN    105 GLU- HA      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1642, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 102 THR  HN    105 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1644,1645,
 &end
#
# 102 THR  HN    105 GLU- QG      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr2=1647,1648,
 &end
#
# 102 THR  HN    106 VAL  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1655, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 102 THR  HN    106 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1661,1662,1663,
 &end
#
# 102 THR  HN    106 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1665,1666,1667,
 &end
#
# 102 THR  HA    104 GLU- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1625, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 102 THR  HA    105 GLU- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1640, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 102 THR  HB    103 ARG+ HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1601, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 102 THR  QG2   103 ARG+ HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1601, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1593,1594,1595,
 &end
#
# 102 THR  QG2   104 GLU- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1593,1594,1595,
 &end
#
# 102 THR  QG2   105 GLU- HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1=1593,1594,1595,
 &end
#
# 102 THR  HG1   103 ARG+ HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1601, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 102 THR  HG1   104 GLU- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1625, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 102 THR  HG1   105 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HN    103 ARG+ QG      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=1608,1609,
 &end
#
# 103 ARG+ HN    103 ARG+ QD      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=1611,1612,
 &end
#
# 103 ARG+ HN    103 ARG+ HE      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1614, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HN    104 GLU- HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1625, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 103 ARG+ HN    104 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1629,1630,
 &end
#
# 103 ARG+ HN    105 GLU- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1640, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 103 ARG+ HN    106 VAL  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1655, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 103 ARG+ HN    106 VAL  HB      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1659, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 103 ARG+ HN    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
# 103 ARG+ HA    103 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1611,1612,
 &end
#
# 103 ARG+ HA    103 ARG+ HE      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+ HA    105 GLU- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1640, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 103 ARG+ HA    106 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HA    106 VAL  HB      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 103 ARG+ HA    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=1661,1662,1663,1665,1666,1667,
 &end
#
# 103 ARG+ HA    107 ASP- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1671, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 103 ARG+ QB    103 ARG+ HE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1605,1606,
 &end
#
# 103 ARG+ QG    104 GLU- HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1608,1609,
 &end
#
# 103 ARG+ QD    104 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1611,1612,
 &end
#
# 104 GLU- HN    105 GLU- HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1625,1640, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 104 GLU- HN    106 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1625,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
# 104 GLU- HA    107 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1627,1671, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 105 GLU- HN    105 GLU- QG      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1647,1648,
 &end
#
# 105 GLU- HN    106 VAL  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1640,1655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 105 GLU- HN    106 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1661,1662,1663,
 &end
#
# 105 GLU- HN    106 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1665,1666,1667,
 &end
#
# 105 GLU- HA    107 ASP- HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1642,1671, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 105 GLU- QB    108 GLN  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1644,1645,
 &end
#
# 105 GLU- QG    106 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1647,1648,
 &end
#
# 106 VAL  HN    106 VAL  HB      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1655,1659, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 106 VAL  HA    108 GLN  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1683, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 106 VAL  HA    109 VAL  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1700, 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=1657,1704, 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=1657,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
# 106 VAL  HB    107 ASP- HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1659,1671, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 106 VAL  QG1   107 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1661,1662,1663,
 &end
#
# 106 VAL  QG1   110 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1661,1662,1663,
 &end
#
# 106 VAL  QG2   107 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1665,1666,1667,
 &end
#
# 106 VAL  QG2   110 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1665,1666,1667,
 &end
#
# 106 VAL  QQG   107 ASP- HN      7.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 9.49, r4= 9.99,
 igr1=1661,1662,1663,1665,1666,1667,
 &end
#
# 106 VAL  QQG   108 GLN  HN      9.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1683, r1= 1.30, r2= 1.80, r3=12.21, r4=12.71,
 igr1=1661,1662,1663,1665,1666,1667,
 &end
#
# 106 VAL  QQG   109 VAL  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1661,1662,1663,1665,1666,1667,
 &end
#
# 106 VAL  QQG   110 ALA  HN      7.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1=1661,1662,1663,1665,1666,1667,
 &end
#
# 106 VAL  QQG   110 ALA  QB      8.66                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.02, r4=14.52,
 igr1=1661,1662,1663,1665,1666,1667,
 igr2=1720,1721,1722,
 &end
#
# 107 ASP- HN    108 GLN  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1683, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 107 ASP- HN    109 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1700, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 107 ASP- HA    110 ALA  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1673,1716, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 107 ASP- HA    110 ALA  QB      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2=1720,1721,1722,
 &end
#
# 107 ASP- HA    117 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1852,1857,
 &end
#
# 107 ASP- HB2   108 GLN  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1683, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 107 ASP- HB3   108 GLN  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1676,1683, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 108 GLN  HN    108 GLN  HG2     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1690, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 108 GLN  HN    108 GLN  HG3     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1691, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 108 GLN  HN    108 GLN  QG      4.54                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1690,1691,
 &end
#
# 108 GLN  HN    108 GLN  HE21    5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1695, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 108 GLN  HN    108 GLN  HE22    5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1696, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 108 GLN  HN    108 GLN  QE2     4.88                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1695,1696,
 &end
#
# 108 GLN  HN    109 VAL  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1700, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 108 GLN  HN    109 VAL  QQG     7.26                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
# 108 GLN  HN    110 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 108 GLN  HN    111 ARG+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1726, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 108 GLN  HN    111 ARG+ QD      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2=1736,1737,
 &end
#
# 108 GLN  HA    108 GLN  HE21    5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1695, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 108 GLN  HA    108 GLN  HE22    5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1696, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 108 GLN  HA    108 GLN  QE2     4.61                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2=1695,1696,
 &end
#
# 108 GLN  HA    110 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1716, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 108 GLN  HA    111 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1736,1737,
 &end
#
# 108 GLN  QB    108 GLN  HE21    6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1695, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1687,1688,
 &end
#
# 108 GLN  QB    108 GLN  HE22    6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1696, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1687,1688,
 &end
#
# 108 GLN  QB    112 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1687,1688,
 &end
#
# 108 GLN  HG2   109 VAL  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,1700, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 108 GLN  HG2   112 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,1750, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 108 GLN  HG3   109 VAL  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1691,1700, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 108 GLN  HG3   112 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1691,1750, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 108 GLN  QG    109 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=1690,1691,
 &end
#
# 108 GLN  QG    112 ALA  HN      5.89                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1690,1691,
 &end
#
# 108 GLN  HE21  112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1695,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
# 108 GLN  HE22  112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1696,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
# 108 GLN  QE2   109 VAL  HA      7.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1=1695,1696,
 &end
#
# 108 GLN  QE2   112 ALA  QB      7.02                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.46, r4= 9.96,
 igr1=1695,1696,
 igr2=1754,1755,1756,
 &end
#
# 109 VAL  HN    110 ALA  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1700,1716, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 109 VAL  HN    111 ARG+ HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1700,1726, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 109 VAL  HA    112 ALA  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1750, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 109 VAL  HA    112 ALA  QB      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1754,1755,1756,
 &end
#
# 109 VAL  HA    113 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1770,1775,
 &end
#
# 109 VAL  HB    110 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1704,1716, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 109 VAL  QG1   110 ALA  HN      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1706,1707,1708,
 &end
#
# 109 VAL  QG2   110 ALA  HN      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1710,1711,1712,
 &end
#
# 109 VAL  QQG   110 ALA  HN      6.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
 igr1=1706,1707,1708,1710,1711,1712,
 &end
#
# 109 VAL  QQG   112 ALA  HN      8.96                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3=12.08, r4=12.58,
 igr1=1706,1707,1708,1710,1711,1712,
 &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=1706,1707,1708,1710,1711,1712,
 igr2=1768,1777,
 &end
#
# 109 VAL  QQG   113 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=1706,1707,1708,1710,1711,1712,
 igr2=1770,1775,
 &end
#
# 109 VAL  QQG   113 TYR  HH      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1706,1707,1708,1710,1711,1712,
 &end
#
# 110 ALA  HN    111 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1726, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 110 ALA  HN    111 ARG+ HB2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1730, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 110 ALA  HN    111 ARG+ HB3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1731, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 110 ALA  HN    111 ARG+ QB      5.24                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1730,1731,
 &end
#
# 110 ALA  HN    112 ALA  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 110 ALA  HN    112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
# 110 ALA  HN    113 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1768,1777,
 &end
#
# 110 ALA  HN    115 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 110 ALA  HA    112 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1750, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 110 ALA  HA    113 TYR  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1760, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 110 ALA  HA    115 VAL  HB      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 110 ALA  HA    115 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1811,1812,1813,
 &end
#
# 110 ALA  HA    115 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1815,1816,1817,
 &end
#
# 110 ALA  QB    111 ARG+ HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1720,1721,1722,
 &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=1720,1721,1722,
 igr2=1850,1859,
 &end
#
# 110 ALA  QB    117 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1720,1721,1722,
 igr2=1852,1857,
 &end
#
# 111 ARG+ HN    111 ARG+ QB      3.91                
 &rst
  ixpk= 0, nxpk= 0, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1730,1731,
 &end
#
# 111 ARG+ HN    111 ARG+ QG      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1733,1734,
 &end
#
# 111 ARG+ HN    111 ARG+ QD      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1736,1737,
 &end
#
# 111 ARG+ HN    112 ALA  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 111 ARG+ HA    111 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1728,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1736,1737,
 &end
#
# 111 ARG+ HB2   112 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1750, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 111 ARG+ HB3   112 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1731,1750, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 111 ARG+ QG    112 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1733,1734,
 &end
#
# 111 ARG+ QD    112 ALA  HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1736,1737,
 &end
#
# 112 ALA  HN    112 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=1754,1755,1756,
 &end
#
# 112 ALA  HN    113 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1768,1777,
 &end
#
# 112 ALA  HN    114 ARG+ HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1750,1781, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 112 ALA  HN    115 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1750,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 112 ALA  HA    113 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1770,1775,
 &end
#
# 112 ALA  QB    113 TYR  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1760, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1754,1755,1756,
 &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=1754,1755,1756,
 igr2=1768,1777,
 &end
#
# 112 ALA  QB    113 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1754,1755,1756,
 igr2=1770,1775,
 &end
#
# 112 ALA  QB    113 TYR  HH      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1754,1755,1756,
 &end
#
# 112 ALA  QB    114 ARG+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1=1754,1755,1756,
 &end
#
# 113 TYR  HN    113 TYR  QE      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1760,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2=1770,1775,
 &end
#
# 113 TYR  HN    113 TYR  HH      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1760,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 113 TYR  HN    114 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1760,1781, 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=1760,1805, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 113 TYR  HN    115 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1760,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 113 TYR  HA    113 TYR  HH      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1762,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 113 TYR  HA    115 VAL  QQG     9.06                
 &rst
  ixpk= 0, nxpk= 0, iat=1762,  -1, r1= 1.30, r2= 1.80, r3=12.21, r4=12.71,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 113 TYR  QB    113 TYR  HH      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1764,1765,
 &end
#
# 113 TYR  QB    115 VAL  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1764,1765,
 &end
#
# 113 TYR  QD    113 TYR  HH      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1768,1777,
 &end
#
# 113 TYR  QD    115 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=1768,1777,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 113 TYR  QE    113 TYR  HH      8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1770,1775,
 &end
#
# 113 TYR  QE    115 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=1770,1775,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 113 TYR  HH    137 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1773,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2159,2168,
 &end
#
# 113 TYR  HH    139 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1773,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2197,2198,2199,
 &end
#
# 113 TYR  HH    139 ILE  HG12    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1773,2201, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 113 TYR  HH    139 ILE  HG13    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1773,2202, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 113 TYR  HH    139 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1773,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2204,2205,2206,
 &end
#
# 113 TYR  HH    145 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1773,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2273,2281,
 &end
#
# 114 ARG+ HN    114 ARG+ HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1781,1785, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 114 ARG+ HN    114 ARG+ HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1781,1786, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 114 ARG+ HN    114 ARG+ QD      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1781,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1791,1792,
 &end
#
# 114 ARG+ HN    115 VAL  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1781,1805, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 114 ARG+ HN    115 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1781,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
# 114 ARG+ HA    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=1791,1792,
 &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=1811,1812,1813,
 igr2=1850,1859,
 &end
#
# 115 VAL  QG1   117 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1811,1812,1813,
 igr2=1852,1857,
 &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=1815,1816,1817,
 igr2=1850,1859,
 &end
#
# 115 VAL  QG2   117 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=1815,1816,1817,
 igr2=1852,1857,
 &end
#
# 115 VAL  QQG   130 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=1811,1812,1813,1815,1816,1817,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
# 115 VAL  QQG   132 HIS  HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1811,1812,1813,1815,1816,1817,
 &end
#
# 115 VAL  QQG   133 THR  HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2084, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1811,1812,1813,1815,1816,1817,
 &end
#
# 115 VAL  QQG   137 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=1811,1812,1813,1815,1816,1817,
 igr2=2159,2168,
 &end
#
# 115 VAL  QQG   137 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=1811,1812,1813,1815,1816,1817,
 igr2=2161,2166,
 &end
#
# 116 TYR  QD    132 HIS  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1829,1838,
 &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=1829,1838,
 igr2=2088,2089,2090,
 &end
#
# 116 TYR  QE    132 HIS  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1831,1836,
 &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=1831,1836,
 igr2=2088,2089,2090,
 &end
#
# 117 TYR  HA    132 HIS  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1844,2067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 117 TYR  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=1846,1847,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
# 117 TYR  QB    132 HIS  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1846,1847,
 &end
#
# 117 TYR  QD    118 SER  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1850,1859,
 &end
#
# 117 TYR  QD    132 HIS  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1850,1859,
 &end
#
# 118 SER  HN    130 VAL  QQG     8.76                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,  -1, r1= 1.30, r2= 1.80, r3=11.81, r4=12.31,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
# 118 SER  HN    131 ASP- HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,2057, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 118 SER  HN    131 ASP- HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,2058, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 118 SER  HN    132 HIS  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,2067, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 118 SER  HN    132 HIS  QB      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,  -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr2=2069,2070,
 &end
#
# 118 SER  HB2   131 ASP- HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1867,2057, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 118 SER  HB2   131 ASP- HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1867,2058, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 118 SER  HB3   131 ASP- HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1868,2057, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 118 SER  HB3   131 ASP- HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1868,2058, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 119 PRO  QB    128 TYR  QD      8.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.94, r4=11.44,
 igr1=1881,1882,
 igr2=2005,2014,
 &end
#
# 119 PRO  QB    128 TYR  QE      8.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.81, r4=11.31,
 igr1=1881,1882,
 igr2=2007,2012,
 &end
#
# 119 PRO  QB    130 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=1881,1882,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
# 120 GLY  HN    121 PRO  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,1896, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 120 GLY  HN    121 PRO  HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,1897, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 120 GLY  HN    128 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 120 GLY  HN    128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &end
#
# 120 GLY  HN    130 VAL  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,2039, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 120 GLY  HN    130 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2043,2044,2045,
 &end
#
# 120 GLY  HN    130 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2047,2048,2049,
 &end
#
# 121 PRO  HB2   122 LYS+ HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1902,1909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 121 PRO  HB3   122 LYS+ HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1903,1909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 121 PRO  QB    122 LYS+ HN      4.31                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1909, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1902,1903,
 &end
#
# 122 LYS+ HN    122 LYS+ HG2     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1916, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 122 LYS+ HN    122 LYS+ HG3     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1917, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 122 LYS+ HN    122 LYS+ QG      4.32                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1916,1917,
 &end
#
# 122 LYS+ HN    122 LYS+ QD      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1919,1920,
 &end
#
# 122 LYS+ HN    122 LYS+ HE2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1922, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 122 LYS+ HN    122 LYS+ HE3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1923, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 122 LYS+ HN    122 LYS+ QE      5.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1922,1923,
 &end
#
# 122 LYS+ HN    123 ASP- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1931, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 122 LYS+ HN    128 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 122 LYS+ HN    128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &end
#
# 122 LYS+ HA    122 LYS+ QD      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1911,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=1919,1920,
 &end
#
# 122 LYS+ HA    122 LYS+ HE2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1911,1922, 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=1911,1923, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 122 LYS+ HA    122 LYS+ QE      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=1911,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2=1922,1923,
 &end
#
# 122 LYS+ QB    122 LYS+ HE2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1922, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    122 LYS+ HE3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    123 ASP- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1931, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    126 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    126 GLU- HA      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1972, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    128 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=1913,1914,
 igr2=2005,2014,
 &end
#
# 122 LYS+ HG2   123 ASP- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1916,1931, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 122 LYS+ HG3   123 ASP- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1917,1931, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 122 LYS+ QD    123 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1931, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1919,1920,
 &end
#
# 122 LYS+ QD    126 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1919,1920,
 &end
#
# 122 LYS+ QD    126 GLU- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1972, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1919,1920,
 &end
#
# 122 LYS+ HE2   123 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1922,1931, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 122 LYS+ HE2   128 TYR  QD      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
 igr2=2005,2014,
 &end
#
# 122 LYS+ HE2   128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &end
#
# 122 LYS+ HE3   123 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1931, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 122 LYS+ HE3   128 TYR  QD      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
 igr2=2005,2014,
 &end
#
# 122 LYS+ HE3   128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &end
#
# 122 LYS+ QE    123 ASP- HN      5.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1931, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=1922,1923,
 &end
#
# 122 LYS+ QE    128 TYR  QD      8.31                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.47, r4=10.97,
 igr1=1922,1923,
 igr2=2005,2014,
 &end
#
# 123 ASP- HN    125 ASP- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1931,1958, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 123 ASP- HN    126 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1931,1970, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 123 ASP- HN    126 GLU- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1931,1972, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 123 ASP- HN    126 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1931,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1977,1978,
 &end
#
# 123 ASP- HN    128 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1931,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 123 ASP- HB2   124 GLU- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1943, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 123 ASP- HB3   124 GLU- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1936,1943, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 123 ASP- QB    125 ASP- HN      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1958, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr1=1935,1936,
 &end
#
# 124 GLU- HN    124 GLU- QG      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1943,  -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr2=1950,1951,
 &end
#
# 124 GLU- HN    125 ASP- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1943,1958, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 124 GLU- HN    126 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1943,1970, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 124 GLU- HA    126 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1945,1970, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 124 GLU- HB2   125 ASP- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1947,1958, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 124 GLU- HB3   125 ASP- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1948,1958, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 124 GLU- QG    125 ASP- HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1958, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1=1950,1951,
 &end
#
# 125 ASP- HN    126 GLU- HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1970, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 125 ASP- HN    127 ASP- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1985, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 125 ASP- HN    127 ASP- HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1989, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 125 ASP- HN    127 ASP- HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1990, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 125 ASP- HN    127 ASP- QB      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=1989,1990,
 &end
#
# 126 GLU- HN    126 GLU- QG      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1977,1978,
 &end
#
# 126 GLU- HN    127 ASP- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1970,1985, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 127 ASP- HN    128 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1985,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 127 ASP- HA    128 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1987,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 127 ASP- HB2   128 TYR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1989,1997, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 127 ASP- HB3   128 TYR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1990,1997, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 128 TYR  HN    128 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1997,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2007,2012,
 &end
#
# 128 TYR  HN    129 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1997,2018, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 128 TYR  HN    129 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1997,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2024,2025,2026,
 &end
#
# 128 TYR  QD    129 ILE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2018, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2005,2014,
 &end
#
# 128 TYR  QD    130 VAL  QG1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2005,2014,
 igr2=2043,2044,2045,
 &end
#
# 128 TYR  QD    130 VAL  QG2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2005,2014,
 igr2=2047,2048,2049,
 &end
#
# 129 ILE  HN    129 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2018,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2028,2029,
 &end
#
# 129 ILE  HN    129 ILE  QD1     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2018,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2=2031,2032,2033,
 &end
#
# 129 ILE  HB    130 VAL  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2022,2037, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 130 VAL  QG1   131 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2043,2044,2045,
 &end
#
# 130 VAL  QG2   131 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2047,2048,2049,
 &end
#
# 130 VAL  QQG   132 HIS  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2065, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=2043,2044,2045,2047,2048,2049,
 &end
#
# 130 VAL  QQG   132 HIS  HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2067, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=2043,2044,2045,2047,2048,2049,
 &end
#
# 131 ASP- HN    132 HIS  HD2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2053,2078, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 131 ASP- HB2   132 HIS  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2057,2065, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 131 ASP- HB3   132 HIS  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2058,2065, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 132 HIS  HA    132 HIS  HD1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2067,2073, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 132 HIS  HA    132 HIS  HD2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2067,2078, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 132 HIS  HA    133 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2067,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2088,2089,2090,
 &end
#
# 132 HIS  HB2   133 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2069,2082, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 132 HIS  HB3   133 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2070,2082, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 132 HIS  QB    133 THR  HN      5.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2082, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1=2069,2070,
 &end
#
# 133 THR  HN    133 THR  QG2     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2082,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=2088,2089,2090,
 &end
#
# 133 THR  HB    134 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2086,2096, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 134 ILE  QG2   151 GLN  QG      8.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.03, r4=11.53,
 igr1=2102,2103,2104,
 igr2=2371,2372,
 &end
#
# 134 ILE  QG2   151 GLN  HE21    7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2376, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2102,2103,2104,
 &end
#
# 134 ILE  QG2   151 GLN  HE22    7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2377, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2102,2103,2104,
 &end
#
# 134 ILE  QD1   151 GLN  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2364, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2109,2110,2111,
 &end
#
# 134 ILE  QD1   151 GLN  HE21    7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2376, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2109,2110,2111,
 &end
#
# 134 ILE  QD1   151 GLN  HE22    7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2377, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2109,2110,2111,
 &end
#
# 134 ILE  QD1   151 GLN  QE2     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
 igr1=2109,2110,2111,
 igr2=2376,2377,
 &end
#
# 135 ILE  HN    135 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2115,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2125,2126,
 &end
#
# 135 ILE  HN    135 ILE  QD1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2115,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2=2128,2129,2130,
 &end
#
# 135 ILE  QG2   136 MET  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2136, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QG2   137 TYR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QG2   137 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=2121,2122,2123,
 igr2=2159,2168,
 &end
#
# 135 ILE  QG2   137 TYR  QE      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.05, r4=11.55,
 igr1=2121,2122,2123,
 igr2=2161,2166,
 &end
#
# 135 ILE  QG2   148 TYR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2318, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QG2   148 TYR  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2320, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QG2   148 TYR  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2321, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QG2   148 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=2121,2122,2123,
 igr2=2324,2333,
 &end
#
# 135 ILE  QG2   148 TYR  QE      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.32, r4=11.82,
 igr1=2121,2122,2123,
 igr2=2326,2331,
 &end
#
# 135 ILE  QG2   149 PHE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2337, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QG2   151 GLN  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2364, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QD1   137 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2128,2129,2130,
 igr2=2161,2166,
 &end
#
# 135 ILE  QD1   148 TYR  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2128,2129,2130,
 igr2=2326,2331,
 &end
#
# 136 MET  HN    136 MET  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,2141, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HN    136 MET  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,2142, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HN    136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2145,2146,2147,
 &end
#
# 136 MET  HN    149 PHE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,2337, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HN    149 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2345,2353,
 &end
#
# 136 MET  HN    149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2351,
 &end
#
# 136 MET  HA    136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2136,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2145,2146,2147,
 &end
#
# 136 MET  HA    137 TYR  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2136,2155, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HA    137 TYR  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2136,2156, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HA    137 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2136,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2159,2168,
 &end
#
# 136 MET  HA    137 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2136,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2161,2166,
 &end
#
# 136 MET  HB2   136 MET  QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2138,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=2145,2146,2147,
 &end
#
# 136 MET  HB2   137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2138,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HB3   136 MET  QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2139,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=2145,2146,2147,
 &end
#
# 136 MET  HB3   137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2139,2151, 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=2141,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 136 MET  HG3   137 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2142,2151, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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=2145,2146,2147,
 igr2=2345,2353,
 &end
#
# 137 TYR  HN    137 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2151,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2161,2166,
 &end
#
# 137 TYR  HN    138 LEU  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2172, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 137 TYR  HN    149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2151,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2351,
 &end
#
# 137 TYR  HA    148 TYR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2318, 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=2153,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2320,2321,
 &end
#
# 137 TYR  HA    148 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2324,2333,
 &end
#
# 137 TYR  HA    149 PHE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2337, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 137 TYR  HA    149 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2345,2353,
 &end
#
# 137 TYR  HB2   138 LEU  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2155,2172, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 137 TYR  HB2   139 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2155,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2204,2205,2206,
 &end
#
# 137 TYR  HB3   138 LEU  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2156,2172, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 137 TYR  HB3   139 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2204,2205,2206,
 &end
#
# 137 TYR  QB    138 LEU  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2174, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2155,2156,
 &end
#
# 137 TYR  QB    145 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=2155,2156,
 igr2=2275,2279,
 &end
#
# 137 TYR  QD    138 LEU  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2172, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2159,2168,
 &end
#
# 137 TYR  QD    145 PHE  QE     10.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.73, r4=13.23,
 igr1=2159,2168,
 igr2=2275,2279,
 &end
#
# 137 TYR  QD    148 TYR  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2318, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2159,2168,
 &end
#
# 137 TYR  QE    138 LEU  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2172, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2161,2166,
 &end
#
# 137 TYR  QE    149 PHE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2161,2166,
 &end
#
# 138 LEU  HN    138 LEU  QB      3.85                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=2176,2177,
 &end
#
# 138 LEU  HN    138 LEU  QD1     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2=2181,2182,2183,
 &end
#
# 138 LEU  HN    138 LEU  QD2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2=2185,2186,2187,
 &end
#
# 138 LEU  HN    138 LEU  QQD     5.14                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=2185,2186,2187,2181,2182,2183,
 &end
#
# 138 LEU  HN    139 ILE  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2191, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 138 LEU  HN    146 LEU  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2289,2290,
 &end
#
# 138 LEU  HN    147 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2304, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HN    148 TYR  HA      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2318, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 138 LEU  HN    148 TYR  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2320, 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=2172,2321, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HA    138 LEU  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2181,2182,2183,
 &end
#
# 138 LEU  HA    138 LEU  QD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2185,2186,2187,
 &end
#
# 138 LEU  HA    139 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2204,2205,2206,
 &end
#
# 138 LEU  HB2   146 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HB2   147 ASP- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,2304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 LEU  HB2   147 ASP- HB2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,2308, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
# 138 LEU  HB2   147 ASP- HB3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,2309, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
# 138 LEU  HB2   149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2351,
 &end
#
# 138 LEU  HB3   146 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HB3   147 ASP- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 LEU  HB3   147 ASP- HB2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2308, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
# 138 LEU  HB3   147 ASP- HB3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2309, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
# 138 LEU  HB3   149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2177,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2351,
 &end
#
# 138 LEU  QB    146 LEU  HN      6.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=2176,2177,
 &end
#
# 138 LEU  QB    147 ASP- HN      4.63                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=2176,2177,
 &end
#
# 138 LEU  QB    147 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=2176,2177,
 igr2=2308,2309,
 &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=2176,2177,
 igr2=2548,2549,2550,
 &end
#
# 138 LEU  QD1   139 ILE  HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1=2181,2182,2183,
 &end
#
# 138 LEU  QD1   147 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2181,2182,2183,
 &end
#
# 138 LEU  QD1   147 ASP- HB2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2308, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=2181,2182,2183,
 &end
#
# 138 LEU  QD1   147 ASP- HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2309, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=2181,2182,2183,
 &end
#
# 138 LEU  QD1   162 ILE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2181,2182,2183,
 &end
#
# 138 LEU  QD2   139 ILE  HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1=2185,2186,2187,
 &end
#
# 138 LEU  QD2   147 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2185,2186,2187,
 &end
#
# 138 LEU  QD2   147 ASP- HB2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2308, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=2185,2186,2187,
 &end
#
# 138 LEU  QD2   147 ASP- HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2309, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1=2185,2186,2187,
 &end
#
# 138 LEU  QD2   162 ILE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2185,2186,2187,
 &end
#
# 138 LEU  QQD   139 ILE  HN      6.26                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 8.44, r4= 8.94,
 igr1=2185,2186,2187,2181,2182,2183,
 &end
#
# 138 LEU  QQD   146 LEU  HN      8.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2285, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
 igr1=2185,2186,2187,2181,2182,2183,
 &end
#
# 138 LEU  QQD   146 LEU  QQD     9.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=18.06, r4=18.56,
 igr1=2185,2186,2187,2181,2182,2183,
 igr2=2298,2299,2300,2294,2295,2296,
 &end
#
# 138 LEU  QQD   147 ASP- HN      6.85                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73,
 igr1=2185,2186,2187,2181,2182,2183,
 &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=2185,2186,2187,2181,2182,2183,
 igr2=2308,2309,
 &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=2185,2186,2187,2181,2182,2183,
 igr2=2347,2351,
 &end
#
# 138 LEU  QQD   162 ILE  HA      7.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr1=2185,2186,2187,2181,2182,2183,
 &end
#
# 138 LEU  QQD   165 HIST HD2     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2591, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=2185,2186,2187,2181,2182,2183,
 &end
#
# 139 ILE  HN    139 ILE  HG12    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,2201, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 139 ILE  HN    139 ILE  HG13    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,2202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 139 ILE  HN    139 ILE  QG1     5.45                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=2201,2202,
 &end
#
# 139 ILE  HN    139 ILE  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=2204,2205,2206,
 &end
#
# 139 ILE  HN    140 GLY  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,2210, 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=2191,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  HN    147 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,2304, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  HA    146 LEU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2193,2285, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 139 ILE  HA    147 ASP- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2193,2304, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 139 ILE  HB    139 ILE  QG1     2.64                
 &rst
  ixpk= 0, nxpk= 0, iat=2195,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr2=2201,2202,
 &end
#
# 139 ILE  HB    140 GLY  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2210, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 139 ILE  HB    143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2243, 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=2195,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  QG2   139 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=2197,2198,2199,
 igr2=2204,2205,2206,
 &end
#
# 139 ILE  QG2   140 GLY  HN      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2210, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1=2197,2198,2199,
 &end
#
# 139 ILE  QG2   143 GLY  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=2197,2198,2199,
 &end
#
# 139 ILE  QG2   143 GLY  HA2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2197,2198,2199,
 &end
#
# 139 ILE  QG2   143 GLY  HA3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2246, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2197,2198,2199,
 &end
#
# 139 ILE  HG12  140 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2201,2210, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  HG12  145 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2201,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2273,2281,
 &end
#
# 139 ILE  HG12  145 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2201,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2275,2279,
 &end
#
# 139 ILE  HG13  140 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2202,2210, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 139 ILE  HG13  145 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2202,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2273,2281,
 &end
#
# 139 ILE  HG13  145 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2202,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2275,2279,
 &end
#
# 139 ILE  QG1   140 GLY  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2210, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=2201,2202,
 &end
#
# 139 ILE  QG1   143 GLY  HN      7.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
 igr1=2201,2202,
 &end
#
# 139 ILE  QD1   140 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2210, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2204,2205,2206,
 &end
#
# 139 ILE  QD1   145 PHE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2267, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2204,2205,2206,
 &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=2204,2205,2206,
 igr2=2269,2270,
 &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=2204,2205,2206,
 igr2=2273,2281,
 &end
#
# 139 ILE  QD1   145 PHE  QE      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1=2204,2205,2206,
 igr2=2275,2279,
 &end
#
# 139 ILE  QD1   146 LEU  HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1=2204,2205,2206,
 &end
#
# 139 ILE  QD1   147 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2204,2205,2206,
 &end
#
# 140 GLY  HN    143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2210,2243, 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=2210,2250, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 140 GLY  HN    145 PHE  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2210,2267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 140 GLY  HN    146 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=2210,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2298,2299,2300,2294,2295,2296,
 &end
#
# 140 GLY  QA    146 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=2212,2213,
 igr2=2289,2290,
 &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=2212,2213,
 igr2=2294,2295,2296,
 &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=2212,2213,
 igr2=2298,2299,2300,
 &end
#
# 141 PRO  HA    143 GLY  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2227,2243, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 141 PRO  HB2   142 ASP- HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2224,2231, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 141 PRO  HB2   143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2224,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 141 PRO  HB3   142 ASP- HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2225,2231, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 141 PRO  HB3   143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2225,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 141 PRO  QG    143 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2221,2222,
 &end
#
# 142 ASP- HN    143 GLY  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2231,2243, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 142 ASP- HN    143 GLY  HA2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2231,2245, 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=2231,2246, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 142 ASP- HB2   143 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2235,2243, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 142 ASP- HB3   143 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2236,2243, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 143 GLY  HN    144 GLU- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2243,2250, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 145 PHE  HN    145 PHE  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2265,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2275,2279,
 &end
#
# 145 PHE  HN    146 LEU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2265,2285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 145 PHE  HB2   146 LEU  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2269,2285, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 145 PHE  HB3   146 LEU  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2270,2285, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 145 PHE  QB    146 LEU  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2269,2270,
 &end
#
# 145 PHE  QE    147 ASP- HA      7.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=2275,2279,
 &end
#
# 146 LEU  HN    146 LEU  HG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,2292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 146 LEU  HN    146 LEU  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2294,2295,2296,
 &end
#
# 146 LEU  HN    146 LEU  QD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2298,2299,2300,
 &end
#
# 146 LEU  HN    146 LEU  QQD     6.33                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2298,2299,2300,2294,2295,2296,
 &end
#
# 146 LEU  HN    147 ASP- HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,2304, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 146 LEU  HA    146 LEU  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=2294,2295,2296,
 &end
#
# 146 LEU  HA    146 LEU  QD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=2298,2299,2300,
 &end
#
# 146 LEU  HA    147 ASP- QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2308,2309,
 &end
#
# 146 LEU  HA    165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 146 LEU  QB    165 HIST HE1     7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2587, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2289,2290,
 &end
#
# 146 LEU  QD1   165 HIST HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2580, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2294,2295,2296,
 &end
#
# 146 LEU  QD1   165 HIST HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2582, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2294,2295,2296,
 &end
#
# 146 LEU  QD1   165 HIST HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2583, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2294,2295,2296,
 &end
#
# 146 LEU  QD2   165 HIST HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2580, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2298,2299,2300,
 &end
#
# 146 LEU  QD2   165 HIST HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2582, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2298,2299,2300,
 &end
#
# 146 LEU  QD2   165 HIST HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2583, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2298,2299,2300,
 &end
#
# 146 LEU  QQD   147 ASP- HN      7.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3=10.74, r4=11.24,
 igr1=2298,2299,2300,2294,2295,2296,
 &end
#
# 146 LEU  QQD   165 HIST HD2     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2591, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=2298,2299,2300,2294,2295,2296,
 &end
#
# 146 LEU  QQD   165 HIST HE1     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2587, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=2298,2299,2300,2294,2295,2296,
 &end
#
# 147 ASP- HN    148 TYR  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2304,2316, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 147 ASP- HB2   148 TYR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2308,2316, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 147 ASP- HB2   165 HIST HE1     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2308,2587, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 147 ASP- HB3   148 TYR  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2309,2316, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 147 ASP- HB3   165 HIST HE1     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2309,2587, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 147 ASP- QB    148 TYR  HN      4.37                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2316, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=2308,2309,
 &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=2308,2309,
 igr2=2347,2351,
 &end
#
# 147 ASP- QB    165 HIST HE1     5.69                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2587, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=2308,2309,
 &end
#
# 148 TYR  HN    148 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2326,2331,
 &end
#
# 148 TYR  HN    149 PHE  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2316,2337, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 148 TYR  HN    149 PHE  QD      8.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
 igr2=2345,2353,
 &end
#
# 148 TYR  HN    149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2351,
 &end
#
# 148 TYR  HA    149 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2318,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2345,2353,
 &end
#
# 148 TYR  HB2   149 PHE  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2320,2337, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 148 TYR  HB3   149 PHE  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2321,2337, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 148 TYR  QD    149 PHE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2324,2333,
 &end
#
# 148 TYR  QE    149 PHE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2326,2331,
 &end
#
# 149 PHE  HN    149 PHE  QE      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2337,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2=2347,2351,
 &end
#
# 149 PHE  HN    150 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2337,2357, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 149 PHE  HB2   150 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2341,2357, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 149 PHE  HB3   150 GLY  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2342,2357, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 149 PHE  QB    153 LYS+ QB      8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1=2341,2342,
 igr2=2399,2400,
 &end
#
# 149 PHE  QD    150 GLY  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2357, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2345,2353,
 &end
#
# 149 PHE  QD    153 LYS+ QG      9.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
 igr1=2345,2353,
 igr2=2402,2403,
 &end
#
# 149 PHE  QD    158 ILE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2485, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2345,2353,
 &end
#
# 149 PHE  QD    158 ILE  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2487, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2345,2353,
 &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=2345,2353,
 igr2=2491,2492,2493,
 &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=2345,2353,
 igr2=2498,2499,2500,
 &end
#
# 149 PHE  QD    161 SER  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2345,2353,
 &end
#
# 149 PHE  QD    161 SER  QB      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=2345,2353,
 igr2=2528,2529,
 &end
#
# 149 PHE  QD    162 ILE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2345,2353,
 &end
#
# 149 PHE  QD    162 ILE  QG1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=2345,2353,
 igr2=2545,2546,
 &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=2345,2353,
 igr2=2548,2549,2550,
 &end
#
# 149 PHE  QE    150 GLY  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2357, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2351,
 &end
#
# 149 PHE  QE    153 LYS+ QG      8.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=2347,2351,
 igr2=2402,2403,
 &end
#
# 149 PHE  QE    158 ILE  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2487, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2351,
 &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=2347,2351,
 igr2=2491,2492,2493,
 &end
#
# 149 PHE  QE    161 SER  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2351,
 &end
#
# 149 PHE  QE    161 SER  QB      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=2347,2351,
 igr2=2528,2529,
 &end
#
# 149 PHE  QE    162 ILE  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2351,
 &end
#
# 149 PHE  QE    162 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=2347,2351,
 igr2=2541,2542,2543,
 &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=2347,2351,
 igr2=2548,2549,2550,
 &end
#
# 150 GLY  HN    151 GLN  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2357,2364, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 150 GLY  HN    153 LYS+ HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2357,2399, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 150 GLY  HN    153 LYS+ HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2357,2400, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 150 GLY  HN    153 LYS+ QG      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=2357,  -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr2=2402,2403,
 &end
#
# 151 GLN  HN    151 GLN  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2364,2371, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HN    151 GLN  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2364,2372, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HN    151 GLN  QG      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=2364,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2=2371,2372,
 &end
#
# 151 GLN  HN    151 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2364,2376, 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=2364,2377, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HN    152 ASN  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2364,2381, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 151 GLN  HA    151 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2366,2376, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HA    151 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2366,2377, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HB2   151 GLN  HE21    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2368,2376, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 151 GLN  HB2   151 GLN  HE22    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2368,2377, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 151 GLN  HB2   152 ASN  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2368,2381, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 151 GLN  HB3   151 GLN  HE21    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2369,2376, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 151 GLN  HB3   151 GLN  HE22    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2369,2377, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 151 GLN  HB3   152 ASN  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2369,2381, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 151 GLN  QB    152 ASN  HN      4.39                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2381, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=2368,2369,
 &end
#
# 151 GLN  HG2   152 ASN  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2371,2381, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 151 GLN  HG3   152 ASN  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2372,2381, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 152 ASN  HN    152 ASN  HD21    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2381,2390, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 152 ASN  HN    152 ASN  HD22    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2381,2391, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 152 ASN  HN    152 ASN  QD2     5.59                
 &rst
  ixpk= 0, nxpk= 0, iat=2381,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2=2390,2391,
 &end
#
# 152 ASN  HN    153 LYS+ HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2381,2395, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 152 ASN  HA    152 ASN  HD21    5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2383,2390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 152 ASN  HA    152 ASN  HD22    5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2383,2391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 152 ASN  HB2   153 LYS+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2385,2395, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 152 ASN  HB3   153 LYS+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2386,2395, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 152 ASN  QD2   153 LYS+ HN      6.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2395, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1=2390,2391,
 &end
#
# 153 LYS+ HN    153 LYS+ HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,2399, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 153 LYS+ HN    153 LYS+ HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,2400, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 153 LYS+ HN    153 LYS+ HG2     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,2402, 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=2395,2403, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 153 LYS+ HN    153 LYS+ QG      4.32                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=2402,2403,
 &end
#
# 153 LYS+ HN    153 LYS+ QE      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=2408,2409,
 &end
#
# 153 LYS+ HN    154 ARG+ HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,2417, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 153 LYS+ HN    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 153 LYS+ HA    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=2408,2409,
 &end
#
# 153 LYS+ HA    157 GLU- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2397,2470, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 153 LYS+ HB2   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=2408,2409,
 &end
#
# 153 LYS+ HB2   158 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2399,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2495,2496,
 &end
#
# 153 LYS+ HB2   158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2399,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 153 LYS+ HB3   153 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2400,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2408,2409,
 &end
#
# 153 LYS+ HB3   158 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2400,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2495,2496,
 &end
#
# 153 LYS+ HB3   158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2400,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 153 LYS+ QB    153 LYS+ QE      6.84                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.62, r4= 9.12,
 igr1=2399,2400,
 igr2=2408,2409,
 &end
#
# 153 LYS+ QB    154 ARG+ HN      5.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2417, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=2399,2400,
 &end
#
# 154 ARG+ HN    154 ARG+ HG2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,2424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 154 ARG+ HN    154 ARG+ HG3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,2425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 154 ARG+ HN    154 ARG+ QG      4.81                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2424,2425,
 &end
#
# 154 ARG+ HN    154 ARG+ QD      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,  -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr2=2427,2428,
 &end
#
# 154 ARG+ HN    157 GLU- HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,2470, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 154 ARG+ HN    157 GLU- QG      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=2477,2478,
 &end
#
# 154 ARG+ HA    154 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2419,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2427,2428,
 &end
#
# 154 ARG+ HA    156 GLY  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2419,2463, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 154 ARG+ HA    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2419,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 154 ARG+ HB2   155 LYS+ HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2421,2441, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 154 ARG+ HB2   156 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2421,2463, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 154 ARG+ HB3   155 LYS+ HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2422,2441, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 154 ARG+ HB3   156 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2422,2463, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 154 ARG+ QB    156 GLY  HN      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2463, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=2421,2422,
 &end
#
# 154 ARG+ HG2   155 LYS+ HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2424,2441, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 154 ARG+ HG3   155 LYS+ HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2425,2441, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 154 ARG+ QD    155 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2441, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2427,2428,
 &end
#
# 154 ARG+ QD    156 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2463, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2427,2428,
 &end
#
# 154 ARG+ QD    156 GLY  QA      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1=2427,2428,
 igr2=2465,2466,
 &end
#
# 154 ARG+ QD    157 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2470, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2427,2428,
 &end
#
# 155 LYS+ HN    155 LYS+ HB2     2.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2445, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 155 LYS+ HN    155 LYS+ HB3     2.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2446, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 155 LYS+ HN    155 LYS+ QB      2.51                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,
 igr2=2445,2446,
 &end
#
# 155 LYS+ HN    155 LYS+ QG      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=2448,2449,
 &end
#
# 155 LYS+ HN    155 LYS+ HD2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2451, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 155 LYS+ HN    155 LYS+ HD3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2452, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 155 LYS+ HN    155 LYS+ QD      5.19                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2=2451,2452,
 &end
#
# 155 LYS+ HN    155 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2454,2455,
 &end
#
# 155 LYS+ HN    156 GLY  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2463, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 155 LYS+ HN    156 GLY  HA2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2465, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 155 LYS+ HN    156 GLY  HA3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2466, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 155 LYS+ HN    156 GLY  QA      5.24                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=2465,2466,
 &end
#
# 155 LYS+ HN    157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2470, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HN    157 GLU- QG      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr2=2477,2478,
 &end
#
# 155 LYS+ HN    158 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2485, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HN    158 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2491,2492,2493,
 &end
#
# 155 LYS+ HN    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 155 LYS+ HA    155 LYS+ HD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2451, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 155 LYS+ HA    155 LYS+ HD3     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2452, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 155 LYS+ HA    155 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2454,2455,
 &end
#
# 155 LYS+ HA    157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2470, 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=2443,2485, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HA    158 ILE  HB      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 155 LYS+ HA    158 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2491,2492,2493,
 &end
#
# 155 LYS+ HA    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 155 LYS+ HA    159 ALA  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2504, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 155 LYS+ HB2   155 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2454,2455,
 &end
#
# 155 LYS+ HB2   156 GLY  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 155 LYS+ HB2   157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,2470, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HB3   155 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2446,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2454,2455,
 &end
#
# 155 LYS+ HB3   156 GLY  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2446,2463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 155 LYS+ HB3   157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2446,2470, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ QG    156 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2463, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2448,2449,
 &end
#
# 155 LYS+ HD2   156 GLY  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2451,2463, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 155 LYS+ HD2   156 GLY  HA2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2451,2465, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 155 LYS+ HD2   156 GLY  HA3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2451,2466, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 155 LYS+ HD2   157 GLU- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2451,2470, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 155 LYS+ HD3   156 GLY  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2452,2463, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 155 LYS+ HD3   156 GLY  HA2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2452,2465, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 155 LYS+ HD3   156 GLY  HA3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2452,2466, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 155 LYS+ HD3   157 GLU- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2452,2470, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 155 LYS+ QD    156 GLY  QA      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1=2451,2452,
 igr2=2465,2466,
 &end
#
# 155 LYS+ QD    158 ILE  HN      5.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2485, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=2451,2452,
 &end
#
# 155 LYS+ QD    159 ALA  HN      5.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=2451,2452,
 &end
#
# 155 LYS+ QE    156 GLY  HN      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2463, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1=2454,2455,
 &end
#
# 156 GLY  HN    157 GLU- HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,2470, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 156 GLY  HN    157 GLU- HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,2472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 156 GLY  HN    157 GLU- QG      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr2=2477,2478,
 &end
#
# 156 GLY  HN    158 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,2485, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  HN    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 156 GLY  HN    159 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,2504, 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=2463,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  HA2   159 ALA  QB      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2465,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=2508,2509,2510,
 &end
#
# 156 GLY  HA2   160 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2465,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  HA3   159 ALA  QB      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2466,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=2508,2509,2510,
 &end
#
# 156 GLY  HA3   160 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2466,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 156 GLY  QA    159 ALA  HN      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr1=2465,2466,
 &end
#
# 157 GLU- HN    157 GLU- QG      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2=2477,2478,
 &end
#
# 157 GLU- HN    158 ILE  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,2485, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 157 GLU- HN    158 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2491,2492,2493,
 &end
#
# 157 GLU- HN    158 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2498,2499,2500,
 &end
#
# 157 GLU- HN    159 ALA  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,2504, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 157 GLU- HN    160 ALA  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,2514, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 157 GLU- HA    160 ALA  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,2514, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 157 GLU- HA    160 ALA  QB      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2518,2519,2520,
 &end
#
# 157 GLU- QB    161 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2474,2475,
 &end
#
# 157 GLU- QG    158 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2485, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2477,2478,
 &end
#
# 157 GLU- QG    159 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2477,2478,
 &end
#
# 158 ILE  HN    158 ILE  QG1     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2485,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=2495,2496,
 &end
#
# 158 ILE  HN    158 ILE  QD1     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2485,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=2498,2499,2500,
 &end
#
# 158 ILE  HN    159 ALA  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2485,2504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 158 ILE  HA    160 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2487,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 158 ILE  HA    161 SER  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2487,2524, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 158 ILE  HA    161 SER  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2487,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2528,2529,
 &end
#
# 158 ILE  HB    159 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2489,2504, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 158 ILE  QG2   159 ALA  HN      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2491,2492,2493,
 &end
#
# 158 ILE  QG2   160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2514, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2491,2492,2493,
 &end
#
# 158 ILE  QG2   161 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2491,2492,2493,
 &end
#
# 158 ILE  QG2   161 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=2491,2492,2493,
 igr2=2528,2529,
 &end
#
# 158 ILE  QG2   162 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2491,2492,2493,
 &end
#
# 158 ILE  QG2   162 ILE  HA      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=2491,2492,2493,
 &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=2491,2492,2493,
 igr2=2545,2546,
 &end
#
# 158 ILE  QG2   162 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=2491,2492,2493,
 igr2=2548,2549,2550,
 &end
#
# 158 ILE  QG2   163 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2554, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2491,2492,2493,
 &end
#
# 158 ILE  QG1   159 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2495,2496,
 &end
#
# 158 ILE  QD1   159 ALA  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2498,2499,2500,
 &end
#
# 159 ALA  HN    159 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2504,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=2508,2509,2510,
 &end
#
# 159 ALA  HN    160 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2504,2514, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 159 ALA  HN    161 SER  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2504,2524, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 159 ALA  HA    161 SER  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2506,2524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 159 ALA  HA    162 ILE  HB      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2506,2539, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 159 ALA  HA    162 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2506,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2548,2549,2550,
 &end
#
# 159 ALA  QB    161 SER  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=2508,2509,2510,
 &end
#
# 159 ALA  QB    162 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2508,2509,2510,
 &end
#
# 160 ALA  HN    160 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2514,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=2518,2519,2520,
 &end
#
# 160 ALA  HN    161 SER  HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2514,2524, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 160 ALA  HN    162 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2514,2535, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 160 ALA  HA    163 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2516,2554, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 160 ALA  HA    163 ALA  QB      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2516,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=2558,2559,2560,
 &end
#
# 160 ALA  QB    161 SER  HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=2518,2519,2520,
 &end
#
# 160 ALA  QB    162 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2518,2519,2520,
 &end
#
# 161 SER  HN    162 ILE  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,2535, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 161 SER  HN    162 ILE  HB      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,2539, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 161 SER  HN    162 ILE  QG2     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=2541,2542,2543,
 &end
#
# 161 SER  HN    162 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2545,2546,
 &end
#
# 161 SER  HN    162 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2548,2549,2550,
 &end
#
# 161 SER  HN    163 ALA  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,2554, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 161 SER  HA    163 ALA  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,2554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 161 SER  HA    164 THR  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,2564, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 161 SER  HA    164 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2570,2571,2572,
 &end
#
# 162 ILE  HN    162 ILE  QG1     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=2545,2546,
 &end
#
# 162 ILE  HN    162 ILE  QD1     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=2548,2549,2550,
 &end
#
# 162 ILE  HN    163 ALA  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,2554, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 162 ILE  HN    164 THR  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,2564, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 162 ILE  HN    165 HIST HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,2591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HA    165 HIST HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2578, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 162 ILE  HA    165 HIST HB2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2582, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 162 ILE  HA    165 HIST HB3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2583, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 162 ILE  HA    165 HIST QB      5.75                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=2582,2583,
 &end
#
# 162 ILE  HA    165 HIST HD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2591, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 162 ILE  HA    165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2587, 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=2537,2595, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HA    166 MET  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2599,2600,
 &end
#
# 162 ILE  HB    163 ALA  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2539,2554, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 162 ILE  HB    164 THR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2539,2564, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 162 ILE  QG2   163 ALA  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2554, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1=2541,2542,2543,
 &end
#
# 162 ILE  QG2   164 THR  HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2564, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1=2541,2542,2543,
 &end
#
# 162 ILE  QG2   165 HIST HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2578, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=2541,2542,2543,
 &end
#
# 162 ILE  QG1   163 ALA  HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2554, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=2545,2546,
 &end
#
# 162 ILE  QG1   165 HIST HD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2591, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2545,2546,
 &end
#
# 162 ILE  QD1   163 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2554, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=2548,2549,2550,
 &end
#
# 162 ILE  QD1   163 ALA  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2556, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2548,2549,2550,
 &end
#
# 163 ALA  HN    163 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2554,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=2558,2559,2560,
 &end
#
# 163 ALA  HN    164 THR  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2554,2564, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 163 ALA  HA    166 MET  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,2595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 163 ALA  HA    166 MET  HB2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,2599, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 163 ALA  HA    166 MET  HB3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,2600, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 163 ALA  HA    166 MET  QB      5.34                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=2599,2600,
 &end
#
# 163 ALA  HA    167 ARG+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,2612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 163 ALA  QB    164 THR  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2564, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=2558,2559,2560,
 &end
#
# 163 ALA  QB    165 HIST HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2578, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=2558,2559,2560,
 &end
#
# 164 THR  HN    164 THR  HB      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2568, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 164 THR  HN    164 THR  QG2     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2570,2571,2572,
 &end
#
# 164 THR  HN    165 HIST HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 164 THR  HN    165 HIST HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 164 THR  HN    165 HIST HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2583, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 164 THR  HN    165 HIST QB      6.39                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2=2582,2583,
 &end
#
# 164 THR  HN    165 HIST HD2     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2591, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 164 THR  HA    166 MET  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,2595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 164 THR  HA    166 MET  QB      5.78                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=2599,2600,
 &end
#
# 164 THR  HA    167 ARG+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,2612, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 164 THR  HB    165 HIST HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2568,2578, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 164 THR  QG2   165 HIST HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2578, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1=2570,2571,2572,
 &end
#
# 165 HIST HN    165 HIST HD2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2578,2591, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 165 HIST HN    165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2578,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 165 HIST HN    167 ARG+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2578,2612, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 165 HIST HN    168 PRO  QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2578,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2640,2641,
 &end
#
# 165 HIST HA    165 HIST HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 165 HIST HA    165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 165 HIST HA    168 PRO  HB2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2643, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 165 HIST HA    168 PRO  HB3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2644, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 165 HIST HA    168 PRO  QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2640,2641,
 &end
#
# 165 HIST HB2   166 MET  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2582,2595, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 165 HIST HB3   166 MET  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2583,2595, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 166 MET  HN    166 MET  HG2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,2602, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 166 MET  HN    166 MET  HG3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,2603, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 166 MET  HN    166 MET  QE      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=2606,2607,2608,
 &end
#
# 166 MET  HN    167 ARG+ HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,2612, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 166 MET  HN    169 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2658,2667,
 &end
#
# 166 MET  HA    166 MET  QE      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2597,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2=2606,2607,2608,
 &end
#
# 166 MET  HA    169 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2597,2650, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 166 MET  HB2   166 MET  QE      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2599,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=2606,2607,2608,
 &end
#
# 166 MET  HB2   167 ARG+ HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2599,2612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 166 MET  HB3   166 MET  QE      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2600,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=2606,2607,2608,
 &end
#
# 166 MET  HB3   167 ARG+ HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2600,2612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 166 MET  QB    167 ARG+ HN      3.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=2599,2600,
 &end
#
# 166 MET  QE    167 ARG+ HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2612, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2606,2607,2608,
 &end
#
# 167 ARG+ HN    167 ARG+ QD      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2612,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=2622,2623,
 &end
#
# 168 PRO  HB2   169 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2643,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2658,2667,
 &end
#
# 168 PRO  HB2   169 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2643,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2660,2665,
 &end
#
# 168 PRO  HB3   169 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2644,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2658,2667,
 &end
#
# 168 PRO  HB3   169 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2644,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2660,2665,
 &end
#
# 168 PRO  QB    169 TYR  QD      8.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.34, r4=10.84,
 igr1=2643,2644,
 igr2=2658,2667,
 &end
#
# 168 PRO  HG2   169 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2640,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2658,2667,
 &end
#
# 168 PRO  HG2   169 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2640,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2660,2665,
 &end
#
# 168 PRO  HG3   169 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2641,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2658,2667,
 &end
#
# 168 PRO  HG3   169 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2641,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2660,2665,
 &end
#
# 168 PRO  QG    169 TYR  QD      8.41                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr1=2640,2641,
 igr2=2658,2667,
 &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=2637,2638,
 igr2=2658,2667,
 &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=2637,2638,
 igr2=2660,2665,
 &end
#
# 169 TYR  HN    169 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2650,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2660,2665,
 &end
#
# 169 TYR  HN    170 ARG+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2650,2671, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 169 TYR  HN    171 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2650,2695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 169 TYR  HB2   170 ARG+ HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2654,2671, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 169 TYR  HB3   170 ARG+ HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2655,2671, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 169 TYR  QB    171 LYS+ HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2695, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=2654,2655,
 &end
#
# 169 TYR  QD    170 ARG+ HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2671, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2658,2667,
 &end
#
# 169 TYR  QE    170 ARG+ HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2671, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=2660,2665,
 &end
#
# 170 ARG+ HN    170 ARG+ HG2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2671,2678, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 170 ARG+ HN    170 ARG+ HG3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2671,2679, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 170 ARG+ HN    170 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2671,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2681,2682,
 &end
#
# 170 ARG+ HN    171 LYS+ HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2671,2695, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 170 ARG+ HA    170 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2673,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2681,2682,
 &end
#
# 170 ARG+ HA    171 LYS+ HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2673,2695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 170 ARG+ QD    171 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2695, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2681,2682,
 &end
#
# 171 LYS+ HN    171 LYS+ HB2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,2699, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 171 LYS+ HN    171 LYS+ HB3     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,2700, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 171 LYS+ HN    171 LYS+ HG2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,2702, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 171 LYS+ HN    171 LYS+ HG3     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,2703, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 171 LYS+ HN    171 LYS+ QD      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=2705,2706,
 &end
#
# 171 LYS+ HN    171 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2708,2709,
 &end
#
# 171 LYS+ HA    171 LYS+ QD      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=2705,2706,
 &end
#
# 171 LYS+ HA    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=2708,2709,
 &end
#
# 171 LYS+ HB2   172 LYS+ HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2699,2717, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 171 LYS+ HB3   172 LYS+ HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2700,2717, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 171 LYS+ QB    171 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=2699,2700,
 igr2=2705,2706,
 &end
#
# 171 LYS+ QB    171 LYS+ QE      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
 igr1=2699,2700,
 igr2=2708,2709,
 &end
#
# 171 LYS+ QB    172 LYS+ HN      3.51                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2717, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=2699,2700,
 &end
#
# 171 LYS+ QB    173 SER  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2739, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2699,2700,
 &end
#
# 171 LYS+ QG    172 LYS+ HN      6.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2717, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2702,2703,
 &end
#
# 171 LYS+ QD    172 LYS+ HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2717, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=2705,2706,
 &end
#
# 172 LYS+ HN    172 LYS+ HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,2721, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 172 LYS+ HN    172 LYS+ HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,2722, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 172 LYS+ HN    172 LYS+ QB      3.57                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=2721,2722,
 &end
#
# 172 LYS+ HN    172 LYS+ QG      4.08                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=2724,2725,
 &end
#
# 172 LYS+ HN    172 LYS+ QD      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2=2727,2728,
 &end
#
# 172 LYS+ HN    172 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2730,2731,
 &end
#
# 172 LYS+ HN    173 SER  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,2739, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 172 LYS+ HA    172 LYS+ QD      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2719,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=2727,2728,
 &end
#
# 172 LYS+ HA    172 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2719,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2730,2731,
 &end
#
# 172 LYS+ HA    173 SER  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2719,2739, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 172 LYS+ HB2   172 LYS+ QD      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2721,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=2727,2728,
 &end
#
# 172 LYS+ HB2   172 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2721,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2730,2731,
 &end
#
# 172 LYS+ HB2   173 SER  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2721,2739, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 172 LYS+ HB3   172 LYS+ QD      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2722,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=2727,2728,
 &end
#
# 172 LYS+ HB3   172 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2722,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2730,2731,
 &end
#
# 172 LYS+ HB3   173 SER  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2722,2739, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 172 LYS+ QB    172 LYS+ QG      2.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
 igr1=2721,2722,
 igr2=2724,2725,
 &end
#
# 172 LYS+ QB    173 SER  HN      5.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2739, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=2721,2722,
 &end
#
# 172 LYS+ HG2   173 SER  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2724,2739, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 172 LYS+ HG3   173 SER  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2725,2739, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 172 LYS+ QG    173 SER  HN      6.39                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2739, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1=2724,2725,
 &end
#
# 172 LYS+ QE    173 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2739, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2730,2731,
 &end
# 2750 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

# 44 VAL PHI:  (43 ASP C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -95.0 -35.0
 &rst     iat =   673,   675,   677,   689,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 45 CYS PHI:  (44 VAL C)-(45 CYG N)-(45 CYG CA)-(45 CYG C) -70.0 -30.0
 &rst     iat =   689,   691,   693,   699,
   r1 = -71.0, r2 = -70.0, 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 =   713,   715,   717,   728,
   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 =   728,   730,   732,   743,
   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 =   743,   745,   747,   762,
   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 =   762,   764,   766,   777,
   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 =   777,   779,   781,   799,
   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 =   799,   801,   803,   816,
   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 =   816,   818,   820,   835,
   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 =   835,   837,   839,   852,
   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 =   852,   854,   856,   868,
   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 =   868,   870,   872,   884,
   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 =   884,   886,   888,   896,
   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 =   896,   898,   900,   911,
   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 =   911,   913,   915,   930,
   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 =   930,   932,   934,   942,
   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 =   942,   944,   946,   953,
   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 =  1271,  1273,  1275,  1293,
   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 =  1293,  1295,  1297,  1308,
   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 =  1308,  1310,  1312,  1318,
   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 =  1318,  1320,  1322,  1337,
   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 =  1337,  1339,  1341,  1347,
   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 =  1347,  1349,  1351,  1361,
   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 =  1361,  1363,  1365,  1382,
   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 =  1382,  1384,  1386,  1398,
   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 =  1398,  1400,  1402,  1420,
   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 =  1420,  1422,  1424,  1435,
   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 =  1598,  1600,  1602,  1622,
   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 =  1622,  1624,  1626,  1637,
   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 =  1637,  1639,  1641,  1652,
   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 =  1652,  1654,  1656,  1668,
   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 =  1668,  1670,  1672,  1680,
   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 =  1680,  1682,  1684,  1697,
   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 =  1697,  1699,  1701,  1713,
   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 =  1713,  1715,  1717,  1723,
   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 =  1723,  1725,  1727,  1747,
   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 =  1747,  1749,  1751,  1757,
   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 =  2438,  2440,  2442,  2460,
   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 =  2460,  2462,  2464,  2467,
   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 =  2467,  2469,  2471,  2482,
   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 =  2482,  2484,  2486,  2501,
   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 =  2501,  2503,  2505,  2511,
   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 =  2511,  2513,  2515,  2521,
   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 =  2521,  2523,  2525,  2532,
   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 =  2532,  2534,  2536,  2551,
   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 =  2551,  2553,  2555,  2561,
   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 =  2561,  2563,  2565,  2575,
   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 =  2575,  2577,  2579,  2592,
   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 =  2592,  2594,  2596,  2609,
   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 =  2609,  2611,  2613,  2633,
   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

# 44 VAL PSI:  (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 CYG N) -95.0 -35.0
 &rst     iat =   675,   677,   689,   691,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 45 CYS PSI:  (45 CYG N)-(45 CYG CA)-(45 CYG C)-(46 PRO N) -60.0 -20.0
 &rst     iat =   691,   693,   699,   701,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 46 PRO PSI:  (46 PRO N)-(46 PRO CA)-(46 PRO C)-(47 GLU N) -60.0 -20.0
 &rst     iat =   701,   711,   713,   715,
   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 =   715,   717,   728,   730,
   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 =   730,   732,   743,   745,
   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 =   745,   747,   762,   764,
   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 =   764,   766,   777,   779,
   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 =   779,   781,   799,   801,
   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 =   801,   803,   816,   818,
   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 =   818,   820,   835,   837,
   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 =   837,   839,   852,   854,
   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 =   854,   856,   868,   870,
   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 =   870,   872,   884,   886,
   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 =   886,   888,   896,   898,
   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 =   898,   900,   911,   913,
   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 =   913,   915,   930,   932,
   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 =   932,   934,   942,   944,
   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 =   944,   946,   953,   955,
   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 =  1273,  1275,  1293,  1295,
   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 =  1295,  1297,  1308,  1310,
   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 =  1310,  1312,  1318,  1320,
   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 =  1320,  1322,  1337,  1339,
   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 =  1339,  1341,  1347,  1349,
   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 =  1349,  1351,  1361,  1363,
   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 =  1363,  1365,  1382,  1384,
   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 =  1384,  1386,  1398,  1400,
   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 =  1400,  1402,  1420,  1422,
   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 =  1422,  1424,  1435,  1437,
   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 =  1600,  1602,  1622,  1624,
   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 =  1624,  1626,  1637,  1639,
   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 =  1639,  1641,  1652,  1654,
   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 =  1654,  1656,  1668,  1670,
   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 =  1670,  1672,  1680,  1682,
   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 =  1682,  1684,  1697,  1699,
   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 =  1699,  1701,  1713,  1715,
   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 =  1715,  1717,  1723,  1725,
   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 =  1725,  1727,  1747,  1749,
   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 =  1749,  1751,  1757,  1759,
   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 =  2440,  2442,  2460,  2462,
   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 =  2462,  2464,  2467,  2469,
   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 =  2469,  2471,  2482,  2484,
   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 =  2484,  2486,  2501,  2503,
   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 =  2503,  2505,  2511,  2513,
   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 =  2513,  2515,  2521,  2523,
   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 =  2523,  2525,  2532,  2534,
   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 =  2534,  2536,  2551,  2553,
   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 =  2553,  2555,  2561,  2563,
   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 =  2563,  2565,  2575,  2577,
   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 =  2577,  2579,  2592,  2594,
   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 =  2594,  2596,  2609,  2611,
   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 =  2611,  2613,  2633,  2635,
   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 =  1045,  1047,  1049,  1064,
   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 =  1064,  1066,  1068,  1078,
   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 =  1092,  1094,  1096,  1111,
   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 =  1111,  1113,  1115,  1131,
   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 =  1131,  1133,  1135,  1150,
   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 =  1521,  1523,  1525,  1537,
   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 =  1537,  1539,  1541,  1544,
   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 =  1544,  1546,  1548,  1563,
   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 =  1563,  1565,  1567,  1577,
   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 =  2131,  2133,  2135,  2148,
   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 =  2148,  2150,  2152,  2169,
   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 =  2169,  2171,  2173,  2188,
   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 =  2188,  2190,  2192,  2207,
   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 =  2282,  2284,  2286,  2301,
   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 =  2313,  2315,  2317,  2334,
   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 =  2334,  2336,  2338,  2354,
   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 =  1047,  1049,  1064,  1066,
   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 =  1066,  1068,  1078,  1080,
   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 =  1080,  1090,  1092,  1094,
   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 =  1094,  1096,  1111,  1113,
   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 =  1113,  1115,  1131,  1133,
   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 =  1133,  1135,  1150,  1152,
   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 =  1523,  1525,  1537,  1539,
   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 =  1539,  1541,  1544,  1546,
   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 =  1546,  1548,  1563,  1565,
   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 =  1565,  1567,  1577,  1579,
   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 =  2133,  2135,  2148,  2150,
   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 =  2150,  2152,  2169,  2171,
   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 =  2171,  2173,  2188,  2190,
   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 =  2190,  2192,  2207,  2209,
   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 =  2303,  2305,  2313,  2315,
   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 =  2315,  2317,  2334,  2336,
   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 =  2336,  2338,  2354,  2356,
   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   7.605 -29.391  10.156
    2   2H    SER 129          H2        SER 129   6.906 -27.894   9.997
    3   3H    SER 129          H3        SER 129   7.250 -28.818   8.659
    4    HA   SER 129           HA       SER 129   4.880 -28.863   9.215
    5   1HB   SER 129          HB2       SER 129   4.908 -31.518   9.627
    6   2HB   SER 129          HB3       SER 129   5.324 -30.799   8.059
    7    HG   SER 129           HG       SER 129   6.867 -32.386   9.025
    8    H    PHE 130           H        PHE 130   4.044 -29.004  12.679
    9    HA   PHE 130           HA       PHE 130   2.913 -28.356  10.117
   10   1HB   PHE 130          HB2       PHE 130   1.254 -27.403  11.376
   11   2HB   PHE 130          HB3       PHE 130   1.831 -28.675  12.389
   12    HD1  PHE 130           HD1      PHE 130   4.412 -26.826  13.347
   13    HD2  PHE 130           HD2      PHE 130   0.107 -26.424  13.264
   14    HE1  PHE 130           HE1      PHE 130   4.519 -25.206  15.197
   15    HE2  PHE 130           HE2      PHE 130   0.237 -24.802  15.130
   16    HZ   PHE 130           HZ       PHE 130   2.442 -24.182  16.094
   17    H    THR 131           H        THR 131   4.120 -24.741   9.908
   18    HA   THR 131           HA       THR 131   1.592 -25.228  11.150
   19    HB   THR 131           HB       THR 131   2.058 -23.275   8.909
   20    HG1  THR 131           HG1      THR 131   2.878 -21.996  10.480
   21   1HG2  THR 131          HG21      THR 131  -0.145 -23.121  10.004
   22   2HG2  THR 131          HG22      THR 131   0.631 -23.122  11.605
   23   3HG2  THR 131          HG23      THR 131   0.863 -21.759  10.503
   24    H    GLY 132           H        GLY 132  -0.416 -24.916   9.703
   25   1HA   GLY 132          HA2       GLY 132  -0.391 -26.629   7.242
   26   2HA   GLY 132          HA1       GLY 132  -1.792 -26.449   8.324
   27    H    LYS 133           H        LYS 133   0.033 -23.537   7.778
   28    HA   LYS 133           HA       LYS 133  -1.638 -22.610   5.572
   29   1HB   LYS 133          HB3       LYS 133  -3.094 -22.543   7.650
   30   2HB   LYS 133          HB2       LYS 133  -2.044 -21.298   8.305
   31   1HG   LYS 133          HG2       LYS 133  -3.391 -21.010   5.589
   32   2HG   LYS 133          HG3       LYS 133  -4.287 -20.696   7.064
   33   1HD   LYS 133          HD2       LYS 133  -3.051 -18.804   7.645
   34   2HD   LYS 133          HD3       LYS 133  -1.671 -19.266   6.657
   35   1HE   LYS 133          HE3       LYS 133  -3.145 -18.957   4.591
   36   2HE   LYS 133          HE2       LYS 133  -4.369 -18.250   5.638
   37   1HZ   LYS 133          HZ1       LYS 133  -2.932 -16.410   6.041
   38   2HZ   LYS 133          HZ2       LYS 133  -2.756 -16.736   4.454
   39   3HZ   LYS 133          HZ3       LYS 133  -1.593 -17.212   5.461
   40    HA   PRO 134           HA       PRO 134   2.210 -20.457   5.207
   41   1HB   PRO 134          HB2       PRO 134   1.792 -18.825   3.062
   42   2HB   PRO 134          HB3       PRO 134   1.869 -20.607   2.926
   43   1HG   PRO 134          HG2       PRO 134  -0.615 -18.869   3.166
   44   2HG   PRO 134          HG3       PRO 134  -0.280 -20.153   1.958
   45   1HD   PRO 134          HD2       PRO 134  -1.733 -20.668   4.176
   46   2HD   PRO 134          HD3       PRO 134  -0.558 -21.869   3.565
   47    H    LEU 135           H        LEU 135   3.288 -18.630   5.734
   48    HA   LEU 135           HA       LEU 135   1.921 -16.629   7.331
   49   1HB   LEU 135          HB2       LEU 135   4.064 -16.073   8.145
   50   2HB   LEU 135          HB3       LEU 135   3.914 -17.818   8.121
   51    HG   LEU 135           HG       LEU 135   5.605 -16.099   6.242
   52   1HD1  LEU 135          HD11      LEU 135   6.356 -18.116   8.393
   53   2HD1  LEU 135          HD12      LEU 135   7.480 -17.189   7.377
   54   3HD1  LEU 135          HD13      LEU 135   6.451 -16.347   8.544
   55   1HD2  LEU 135          HD21      LEU 135   5.246 -19.127   6.240
   56   2HD2  LEU 135          HD22      LEU 135   6.561 -18.261   5.420
   57   3HD2  LEU 135          HD23      LEU 135   4.901 -17.996   4.901
   58    H    LEU 136           H        LEU 136   1.008 -16.248   4.852
   59    HA   LEU 136           HA       LEU 136   2.443 -14.108   3.477
   60   1HB   LEU 136          HB2       LEU 136   0.209 -15.942   2.917
   61   2HB   LEU 136          HB3       LEU 136  -0.224 -14.297   2.513
   62    HG   LEU 136           HG       LEU 136   1.835 -14.079   1.127
   63   1HD1  LEU 136          HD11      LEU 136   3.273 -15.795   2.232
   64   2HD1  LEU 136          HD12      LEU 136   2.185 -17.069   1.642
   65   3HD1  LEU 136          HD13      LEU 136   3.119 -16.089   0.497
   66   1HD2  LEU 136          HD21      LEU 136   1.033 -15.504  -0.726
   67   2HD2  LEU 136          HD22      LEU 136  -0.320 -14.726   0.112
   68   3HD2  LEU 136          HD23      LEU 136   0.038 -16.441   0.412
   69    H    GLY 137           H        GLY 137   1.036 -12.227   2.732
   70   1HA   GLY 137          HA1       GLY 137   0.429 -10.039   3.413
   71   2HA   GLY 137          HA2       GLY 137   0.227 -10.617   5.086
   72    H    GLY 138           H        GLY 138   1.807  -9.883   6.370
   73   1HA   GLY 138          HA1       GLY 138   4.456 -10.864   5.864
   74   2HA   GLY 138          HA2       GLY 138   4.447  -9.112   5.798
   75    HA   PRO 139           HA       PRO 139   4.614  -9.979  10.346
   76   1HB   PRO 139          HB2       PRO 139   7.086 -10.818  10.987
   77   2HB   PRO 139          HB3       PRO 139   5.838 -11.937  10.363
   78   1HG   PRO 139          HG2       PRO 139   8.082 -10.624   8.810
   79   2HG   PRO 139          HG3       PRO 139   7.626 -12.354   8.819
   80   1HD   PRO 139          HD2       PRO 139   6.746 -10.498   6.929
   81   2HD   PRO 139          HD3       PRO 139   5.844 -11.979   7.369
   82    H    PHE 140           H        PHE 140   4.536  -7.736   8.851
   83    HA   PHE 140           HA       PHE 140   7.049  -6.259   9.120
   84   1HB   PHE 140          HB2       PHE 140   6.238  -4.612   7.777
   85   2HB   PHE 140          HB3       PHE 140   5.629  -6.085   7.074
   86    HD1  PHE 140           HD1      PHE 140   4.407  -3.391   9.505
   87    HD2  PHE 140           HD2      PHE 140   3.532  -5.810   6.049
   88    HE1  PHE 140           HE1      PHE 140   2.266  -2.227   9.253
   89    HE2  PHE 140           HE2      PHE 140   1.416  -4.570   5.756
   90    HZ   PHE 140           HZ       PHE 140   0.752  -2.810   7.363
   91    H    SER 141           H        SER 141   7.278  -4.172  10.234
   92    HA   SER 141           HA       SER 141   5.156  -3.544  12.241
   93   1HB   SER 141          HB2       SER 141   6.952  -3.296  13.927
   94   2HB   SER 141          HB3       SER 141   6.717  -4.934  13.344
   95    HG   SER 141           HG       SER 141   8.904  -3.181  12.776
   96    H    LEU 142           H        LEU 142   4.747  -1.848  10.377
   97    HA   LEU 142           HA       LEU 142   6.776   0.324  10.412
   98   1HB   LEU 142          HB2       LEU 142   4.299   0.040   8.694
   99   2HB   LEU 142          HB3       LEU 142   5.556   1.262   8.548
  100    HG   LEU 142           HG       LEU 142   5.632  -1.666   7.802
  101   1HD1  LEU 142          HD11      LEU 142   4.985  -0.151   6.036
  102   2HD1  LEU 142          HD12      LEU 142   6.341   0.950   6.394
  103   3HD1  LEU 142          HD13      LEU 142   6.645  -0.643   5.708
  104   1HD2  LEU 142          HD21      LEU 142   8.013  -1.622   7.388
  105   2HD2  LEU 142          HD22      LEU 142   8.148   0.021   8.016
  106   3HD2  LEU 142          HD23      LEU 142   7.730  -1.323   9.101
  107    H    THR 143           H        THR 143   6.474   2.347  11.052
  108    HA   THR 143           HA       THR 143   4.375   3.018  12.994
  109    HB   THR 143           HB       THR 143   6.619   4.741  11.871
  110    HG1  THR 143           HG1      THR 143   7.479   3.028  12.987
  111   1HG2  THR 143          HG21      THR 143   4.887   6.127  12.934
  112   2HG2  THR 143          HG22      THR 143   4.863   5.052  14.354
  113   3HG2  THR 143          HG23      THR 143   6.304   6.018  13.977
  114    H    THR 144           H        THR 144   2.914   4.717  12.716
  115    HA   THR 144           HA       THR 144   1.985   5.070   9.906
  116    HB   THR 144           HB       THR 144  -0.213   5.521  10.796
  117    HG1  THR 144           HG1      THR 144   1.091   5.194  13.291
  118   1HG2  THR 144          HG21      THR 144   0.894   3.030  12.165
  119   2HG2  THR 144          HG22      THR 144  -0.794   3.373  11.730
  120   3HG2  THR 144          HG23      THR 144   0.414   3.131  10.455
  121    H    HIS 145           H        HIS 145   1.253   6.975   9.153
  122    HA   HIS 145           HA       HIS 145   2.345   9.495   9.873
  123   1HB   HIS 145          HB2       HIS 145   0.839  10.287   8.225
  124   2HB   HIS 145          HB3       HIS 145   1.386   8.725   7.670
  125    HD2  HIS 145           HD2      HIS 145  -1.529  10.488   7.187
  126    HE1  HIS 145           HE1      HIS 145  -3.232   6.905   8.702
  127    HE2  HIS 145           HE2      HIS 145  -3.695   9.022   7.354
  128    H    THR 146           H        THR 146  -0.341   7.733  11.229
  129    HA   THR 146           HA       THR 146  -1.576   9.950  12.683
  130    HB   THR 146           HB       THR 146  -1.894   7.011  13.367
  131    HG1  THR 146           HG1      THR 146  -2.880   8.376  11.104
  132   1HG2  THR 146          HG21      THR 146  -4.284   7.675  13.618
  133   2HG2  THR 146          HG22      THR 146  -3.229   8.586  14.703
  134   3HG2  THR 146          HG23      THR 146  -3.851   9.355  13.230
  135    H    GLY 147           H        GLY 147   1.326   8.236  13.156
  136   1HA   GLY 147          HA1       GLY 147   2.861   8.526  14.895
  137   2HA   GLY 147          HA2       GLY 147   1.586   9.224  15.931
  138    H    GLU 148           H        GLU 148   0.126   6.576  14.869
  139    HA   GLU 148           HA       GLU 148   0.898   4.838  17.113
  140   1HB   GLU 148          HB2       GLU 148  -1.503   5.418  16.030
  141   2HB   GLU 148          HB3       GLU 148  -1.135   4.029  15.035
  142   1HG   GLU 148          HG2       GLU 148  -0.669   3.575  17.953
  143   2HG   GLU 148          HG3       GLU 148  -2.312   4.098  17.585
  144    H    ARG 149           H        ARG 149   0.811   2.257  16.149
  145    HA   ARG 149           HA       ARG 149   2.949   2.100  14.091
  146   1HB   ARG 149          HB2       ARG 149   3.802   2.594  16.507
  147   2HB   ARG 149          HB3       ARG 149   3.371   0.932  16.867
  148   1HG   ARG 149          HG2       ARG 149   5.382   1.940  14.819
  149   2HG   ARG 149          HG3       ARG 149   5.733   1.200  16.373
  150   1HD   ARG 149          HD2       ARG 149   4.564  -0.913  15.449
  151   2HD   ARG 149          HD3       ARG 149   4.639  -0.125  13.871
  152    HE   ARG 149           HE       ARG 149   6.933  -0.485  13.767
  153   1HH1  ARG 149          HH22      ARG 149   5.839  -1.375  16.968
  154   2HH1  ARG 149          HH21      ARG 149   7.345  -2.161  17.371
  155   1HH2  ARG 149          HH12      ARG 149   8.884  -1.434  14.306
  156   2HH2  ARG 149          HH11      ARG 149   9.057  -2.187  15.845
  157    H    LYS 150           H        LYS 150   2.075   0.680  12.699
  158    HA   LYS 150           HA       LYS 150   0.297  -1.469  13.731
  159   1HB   LYS 150          HB2       LYS 150   0.385   0.281  11.326
  160   2HB   LYS 150          HB3       LYS 150   0.100  -1.405  10.935
  161   1HG   LYS 150          HG2       LYS 150  -2.031  -0.357  11.246
  162   2HG   LYS 150          HG3       LYS 150  -1.766  -1.511  12.515
  163   1HD   LYS 150          HD2       LYS 150  -0.858   0.787  13.761
  164   2HD   LYS 150          HD3       LYS 150  -1.990   1.452  12.600
  165   1HE   LYS 150          HE2       LYS 150  -3.379   1.117  14.412
  166   2HE   LYS 150          HE3       LYS 150  -3.631  -0.421  13.548
  167   1HZ   LYS 150          HZ1       LYS 150  -3.155  -0.588  15.977
  168   2HZ   LYS 150          HZ2       LYS 150  -2.024  -1.430  15.076
  169   3HZ   LYS 150          HZ3       LYS 150  -1.709   0.064  15.749
  170    H    THR 151           H        THR 151   0.195  -3.520  12.770
  171    HA   THR 151           HA       THR 151   2.531  -4.439  11.161
  172    HB   THR 151           HB       THR 151   2.533  -6.591  11.999
  173    HG1  THR 151           HG1      THR 151   0.084  -5.990  13.296
  174   1HG2  THR 151          HG21      THR 151   1.986  -5.001  14.532
  175   2HG2  THR 151          HG22      THR 151   2.928  -6.495  14.365
  176   3HG2  THR 151          HG23      THR 151   3.530  -4.992  13.639
  177    H    ASP 152           H        ASP 152   1.783  -6.423   9.871
  178    HA   ASP 152           HA       ASP 152  -0.416  -5.698   8.125
  179   1HB   ASP 152          HB2       ASP 152   1.899  -7.066   7.867
  180   2HB   ASP 152          HB3       ASP 152   0.885  -8.412   8.341
  181    H    LYS 153           H        LYS 153  -0.300  -7.590  11.052
  182    HA   LYS 153           HA       LYS 153  -2.819  -8.994  10.351
  183   1HB   LYS 153          HB2       LYS 153  -1.040  -9.311  12.774
  184   2HB   LYS 153          HB3       LYS 153  -2.489 -10.255  12.421
  185   1HG   LYS 153          HG2       LYS 153   0.125 -10.245  10.856
  186   2HG   LYS 153          HG3       LYS 153  -0.557 -11.542  11.811
  187   1HD   LYS 153          HD2       LYS 153  -1.382 -12.394   9.932
  188   2HD   LYS 153          HD3       LYS 153  -2.583 -11.128   9.930
  189   1HE   LYS 153          HE2       LYS 153  -0.095 -10.109   8.793
  190   2HE   LYS 153          HE3       LYS 153  -0.429 -11.667   8.054
  191   1HZ   LYS 153          HZ1       LYS 153  -2.248  -9.318   8.067
  192   2HZ   LYS 153          HZ2       LYS 153  -2.606 -10.790   7.362
  193   3HZ   LYS 153          HZ3       LYS 153  -1.389  -9.822   6.824
  194    H    ASP 154           H        ASP 154  -1.971  -6.108  11.900
  195    HA   ASP 154           HA       ASP 154  -4.230  -5.675  13.581
  196   1HB   ASP 154          HB2       ASP 154  -2.736  -3.676  11.824
  197   2HB   ASP 154          HB3       ASP 154  -3.781  -3.280  13.176
  198    H    TYR 155           H        TYR 155  -3.870  -5.658  10.093
  199    HA   TYR 155           HA       TYR 155  -6.398  -4.241   9.602
  200   1HB   TYR 155          HB2       TYR 155  -4.203  -5.302   7.780
  201   2HB   TYR 155          HB3       TYR 155  -5.589  -4.385   7.223
  202    HD1  TYR 155           HD1      TYR 155  -5.987  -2.024   8.177
  203    HD2  TYR 155           HD2      TYR 155  -2.241  -4.132   8.485
  204    HE1  TYR 155           HE1      TYR 155  -4.793   0.145   8.429
  205    HE2  TYR 155           HE2      TYR 155  -1.046  -1.969   8.771
  206    HH   TYR 155           HH       TYR 155  -2.767   1.164   8.657
  207    H    LEU 156           H        LEU 156  -5.928  -7.370  10.336
  208    HA   LEU 156           HA       LEU 156  -7.631  -8.734   8.390
  209   1HB   LEU 156          HB2       LEU 156  -6.569  -9.310  11.144
  210   2HB   LEU 156          HB3       LEU 156  -8.017 -10.169  10.659
  211    HG   LEU 156           HG       LEU 156  -6.980 -11.203   8.797
  212   1HD1  LEU 156          HD11      LEU 156  -5.528  -9.541   7.855
  213   2HD1  LEU 156          HD12      LEU 156  -4.502 -10.896   8.349
  214   3HD1  LEU 156          HD13      LEU 156  -4.585  -9.427   9.349
  215   1HD2  LEU 156          HD21      LEU 156  -5.088 -11.304  11.188
  216   2HD2  LEU 156          HD22      LEU 156  -5.266 -12.551   9.930
  217   3HD2  LEU 156          HD23      LEU 156  -6.611 -12.209  11.030
  218    H    GLY 157           H        GLY 157  -9.535  -7.849   7.891
  219   1HA   GLY 157          HA1       GLY 157 -11.849  -8.452   9.139
  220   2HA   GLY 157          HA2       GLY 157 -11.442  -6.945   9.968
  221    H    GLN 158           H        GLN 158 -10.293  -5.567   7.740
  222    HA   GLN 158           HA       GLN 158 -12.484  -5.486   5.706
  223   1HB   GLN 158          HB2       GLN 158 -12.289  -3.194   5.502
  224   2HB   GLN 158          HB3       GLN 158 -12.237  -3.467   7.221
  225   1HG   GLN 158          HG2       GLN 158 -10.071  -2.494   5.379
  226   2HG   GLN 158          HG3       GLN 158 -10.635  -1.803   6.890
  227   1HE2  GLN 158          HE21      GLN 158  -8.091  -3.495   5.497
  228   2HE2  GLN 158          HE22      GLN 158  -7.568  -4.407   6.923
  229    H    TRP 159           H        TRP 159 -11.120  -4.048   3.738
  230    HA   TRP 159           HA       TRP 159  -9.072  -6.039   2.829
  231   1HB   TRP 159          HB2       TRP 159 -10.785  -4.043   1.303
  232   2HB   TRP 159          HB3       TRP 159  -9.581  -5.098   0.591
  233    HD1  TRP 159           HD1      TRP 159 -12.649  -5.824   2.872
  234    HE1  TRP 159           HE1      TRP 159 -14.034  -7.678   1.758
  235    HE3  TRP 159           HE3      TRP 159  -9.870  -6.484  -1.377
  236    HZ2  TRP 159           HZ2      TRP 159 -14.196  -8.891  -0.848
  237    HZ3  TRP 159           HZ3      TRP 159 -10.739  -7.912  -3.216
  238    HH2  TRP 159           HH2      TRP 159 -12.912  -9.087  -2.955
  239    H    LEU 160           H        LEU 160  -7.355  -5.090   1.359
  240    HA   LEU 160           HA       LEU 160  -6.652  -2.247   1.891
  241   1HB   LEU 160          HB2       LEU 160  -4.716  -4.583   2.115
  242   2HB   LEU 160          HB3       LEU 160  -4.239  -2.900   2.086
  243    HG   LEU 160           HG       LEU 160  -5.892  -4.174   4.304
  244   1HD1  LEU 160          HD11      LEU 160  -2.936  -3.432   4.101
  245   2HD1  LEU 160          HD12      LEU 160  -3.747  -3.966   5.581
  246   3HD1  LEU 160          HD13      LEU 160  -3.610  -5.071   4.208
  247   1HD2  LEU 160          HD21      LEU 160  -5.331  -2.089   5.548
  248   2HD2  LEU 160          HD22      LEU 160  -6.324  -1.746   4.134
  249   3HD2  LEU 160          HD23      LEU 160  -4.579  -1.419   4.086
  250    H    LEU 161           H        LEU 161  -5.378  -1.261   0.323
  251    HA   LEU 161           HA       LEU 161  -4.350  -2.916  -1.908
  252   1HB   LEU 161          HB2       LEU 161  -5.707  -0.214  -2.078
  253   2HB   LEU 161          HB3       LEU 161  -4.378  -0.569  -3.168
  254    HG   LEU 161           HG       LEU 161  -6.764  -2.442  -2.942
  255   1HD1  LEU 161          HD11      LEU 161  -7.667  -1.335  -4.970
  256   2HD1  LEU 161          HD12      LEU 161  -7.635  -0.240  -3.582
  257   3HD1  LEU 161          HD13      LEU 161  -6.411  -0.087  -4.847
  258   1HD2  LEU 161          HD21      LEU 161  -4.901  -3.518  -3.969
  259   2HD2  LEU 161          HD22      LEU 161  -6.034  -3.076  -5.248
  260   3HD2  LEU 161          HD23      LEU 161  -4.560  -2.122  -4.995
  261    H    ILE 162           H        ILE 162  -2.213  -2.950  -1.764
  262    HA   ILE 162           HA       ILE 162  -0.815  -0.907  -0.063
  263    HB   ILE 162           HB       ILE 162  -0.659  -3.876  -0.310
  264   1HG1  ILE 162          HG12      ILE 162  -0.082  -1.869   1.894
  265   2HG1  ILE 162          HG13      ILE 162  -1.620  -2.693   1.618
  266   1HG2  ILE 162          HG21      ILE 162   1.719  -3.978   0.438
  267   2HG2  ILE 162          HG22      ILE 162   1.578  -3.350  -1.190
  268   3HG2  ILE 162          HG23      ILE 162   1.866  -2.227   0.155
  269   1HD1  ILE 162          HD11      ILE 162   0.985  -3.941   2.575
  270   2HD1  ILE 162          HD12      ILE 162  -0.545  -3.800   3.444
  271   3HD1  ILE 162          HD13      ILE 162  -0.422  -4.892   2.054
  272    H    TYR 163           H        TYR 163   0.669   0.323  -0.906
  273    HA   TYR 163           HA       TYR 163   1.737  -0.268  -3.629
  274   1HB   TYR 163          HB2       TYR 163  -0.261   1.127  -3.871
  275   2HB   TYR 163          HB3       TYR 163   0.336   2.251  -2.656
  276    HD1  TYR 163           HD1      TYR 163   0.768   4.293  -3.704
  277    HD2  TYR 163           HD2      TYR 163   1.929   0.645  -5.689
  278    HE1  TYR 163           HE1      TYR 163   1.802   5.622  -5.536
  279    HE2  TYR 163           HE2      TYR 163   3.020   1.964  -7.483
  280    HH   TYR 163           HH       TYR 163   2.807   5.498  -7.672
  281    H    PHE 164           H        PHE 164   3.821   0.265  -3.931
  282    HA   PHE 164           HA       PHE 164   5.318   1.403  -1.630
  283   1HB   PHE 164          HB2       PHE 164   6.195  -0.160  -4.079
  284   2HB   PHE 164          HB3       PHE 164   7.293   0.510  -2.879
  285    HD1  PHE 164           HD1      PHE 164   7.426  -0.391  -0.596
  286    HD2  PHE 164           HD2      PHE 164   4.688  -2.065  -3.477
  287    HE1  PHE 164           HE1      PHE 164   7.123  -2.385   0.845
  288    HE2  PHE 164           HE2      PHE 164   4.355  -4.035  -1.997
  289    HZ   PHE 164           HZ       PHE 164   5.576  -4.203   0.151
  290    H    GLY 165           H        GLY 165   5.697   3.434  -1.584
  291   1HA   GLY 165          HA1       GLY 165   5.714   5.125  -4.042
  292   2HA   GLY 165          HA2       GLY 165   5.335   5.620  -2.389
  293    H    PHE 166           H        PHE 166   6.947   7.104  -3.951
  294    HA   PHE 166           HA       PHE 166   9.178   7.420  -2.117
  295   1HB   PHE 166          HB2       PHE 166  10.012   5.740  -3.884
  296   2HB   PHE 166          HB3       PHE 166   9.889   7.063  -5.033
  297    HD1  PHE 166           HD1      PHE 166  11.493   6.204  -1.752
  298    HD2  PHE 166           HD2      PHE 166  11.752   8.365  -5.477
  299    HE1  PHE 166           HE1      PHE 166  13.860   6.784  -1.260
  300    HE2  PHE 166           HE2      PHE 166  14.088   8.964  -4.966
  301    HZ   PHE 166           HZ       PHE 166  15.168   8.138  -2.865
  302    H    THR 167           H        THR 167   8.914   9.478  -1.646
  303    HA   THR 167           HA       THR 167   7.252  11.258  -2.988
  304    HB   THR 167           HB       THR 167   9.354  11.981  -0.912
  305    HG1  THR 167           HG1      THR 167   8.059  11.098   0.576
  306   1HG2  THR 167          HG21      THR 167   7.925  13.861  -1.670
  307   2HG2  THR 167          HG22      THR 167   6.466  12.891  -1.355
  308   3HG2  THR 167          HG23      THR 167   7.519  13.386  -0.013
  309    H    HIS 168           H        HIS 168  10.778  11.085  -3.150
  310    HA   HIS 168           HA       HIS 168  11.480  13.561  -4.226
  311   1HB   HIS 168          HB2       HIS 168  12.603  10.881  -5.144
  312   2HB   HIS 168          HB3       HIS 168  13.391  12.440  -5.243
  313    HD1  HIS 168           HD1      HIS 168  15.336  12.561  -3.549
  314    HD2  HIS 168           HD2      HIS 168  12.060  10.204  -2.244
  315    HE1  HIS 168           HE1      HIS 168  16.101  11.294  -1.492
  316    HE2  HIS 168           HE2      HIS 168  14.065   9.957  -0.627
  317    H    CYS 169           H        CYS 169   9.778  10.905  -5.825
  318    HA   CYS 169           HA       CYS 169   9.779  12.409  -8.387
  319   1HB   CYS 169          HB2       CYS 169   9.726  10.223  -9.468
  320   2HB   CYS 169          HB3       CYS 169  11.222  10.488  -8.581
  321    HA   PRO 170           HA       PRO 170   5.568  12.181  -6.522
  322   1HB   PRO 170          HB2       PRO 170   4.900  14.780  -6.535
  323   2HB   PRO 170          HB3       PRO 170   6.231  14.209  -5.487
  324   1HG   PRO 170          HG2       PRO 170   6.470  15.445  -8.262
  325   2HG   PRO 170          HG3       PRO 170   7.322  15.938  -6.761
  326   1HD   PRO 170          HD2       PRO 170   8.411  14.206  -8.615
  327   2HD   PRO 170          HD3       PRO 170   8.757  14.121  -6.864
  328    H    ASP 171           H        ASP 171   6.081  11.231  -9.075
  329    HA   ASP 171           HA       ASP 171   3.981  12.414 -10.827
  330   1HB   ASP 171          HB2       ASP 171   5.448  11.496 -12.659
  331   2HB   ASP 171          HB3       ASP 171   6.080  12.874 -11.771
  332    H    VAL 172           H        VAL 172   5.796   9.366 -10.579
  333    HA   VAL 172           HA       VAL 172   3.721   7.566 -11.327
  334    HB   VAL 172           HB       VAL 172   6.263   7.307  -9.672
  335   1HG1  VAL 172          HG11      VAL 172   4.493   5.048 -10.661
  336   2HG1  VAL 172          HG12      VAL 172   6.181   4.871 -10.092
  337   3HG1  VAL 172          HG13      VAL 172   4.947   5.433  -8.988
  338   1HG2  VAL 172          HG21      VAL 172   5.612   6.507 -12.553
  339   2HG2  VAL 172          HG22      VAL 172   6.584   7.911 -12.063
  340   3HG2  VAL 172          HG23      VAL 172   7.176   6.279 -11.738
  341    H    CYS 173           H        CYS 173   4.584   8.971  -8.181
  342    HA   CYS 173           HA       CYS 173   2.982   7.355  -6.482
  343   1HB   CYS 173          HB2       CYS 173   4.163  10.141  -6.302
  344   2HB   CYS 173          HB3       CYS 173   3.318   9.381  -4.965
  345    HA   PRO 174           HA       PRO 174  -0.660  10.465  -6.925
  346   1HB   PRO 174          HB2       PRO 174  -0.621  12.427  -8.877
  347   2HB   PRO 174          HB3       PRO 174  -0.105  12.668  -7.187
  348   1HG   PRO 174          HG2       PRO 174   1.621  12.125  -9.573
  349   2HG   PRO 174          HG3       PRO 174   1.848  13.302  -8.246
  350   1HD   PRO 174          HD2       PRO 174   3.144  10.906  -8.221
  351   2HD   PRO 174          HD3       PRO 174   2.510  11.632  -6.720
  352    H    GLU 175           H        GLU 175   1.004   9.705 -10.080
  353    HA   GLU 175           HA       GLU 175  -1.353   9.466 -11.591
  354   1HB   GLU 175          HB2       GLU 175   1.024   9.633 -12.335
  355   2HB   GLU 175          HB3       GLU 175   1.242   7.923 -12.010
  356   1HG   GLU 175          HG2       GLU 175  -0.796   9.139 -13.945
  357   2HG   GLU 175          HG3       GLU 175   0.839   8.683 -14.412
  358    H    GLU 176           H        GLU 176   0.287   6.878  -9.676
  359    HA   GLU 176           HA       GLU 176  -1.931   5.015 -10.198
  360   1HB   GLU 176          HB2       GLU 176   0.325   4.859  -8.191
  361   2HB   GLU 176          HB3       GLU 176  -0.783   3.548  -8.572
  362   1HG   GLU 176          HG2       GLU 176   1.143   4.800 -10.589
  363   2HG   GLU 176          HG3       GLU 176   1.479   3.379  -9.608
  364    H    LEU 177           H        LEU 177  -1.091   7.263  -7.513
  365    HA   LEU 177           HA       LEU 177  -3.038   6.155  -5.709
  366   1HB   LEU 177          HB2       LEU 177  -1.602   8.820  -5.826
  367   2HB   LEU 177          HB3       LEU 177  -2.821   8.510  -4.607
  368    HG   LEU 177           HG       LEU 177  -0.443   6.647  -4.969
  369   1HD1  LEU 177          HD11      LEU 177  -0.693   8.922  -2.964
  370   2HD1  LEU 177          HD12      LEU 177   0.673   7.813  -3.160
  371   3HD1  LEU 177          HD13      LEU 177   0.315   8.998  -4.422
  372   1HD2  LEU 177          HD21      LEU 177  -2.394   5.736  -3.695
  373   2HD2  LEU 177          HD22      LEU 177  -2.335   7.145  -2.625
  374   3HD2  LEU 177          HD23      LEU 177  -0.993   5.982  -2.650
  375    H    GLU 178           H        GLU 178  -3.345   8.592  -8.260
  376    HA   GLU 178           HA       GLU 178  -6.012   9.406  -7.831
  377   1HB   GLU 178          HB2       GLU 178  -4.184   8.999 -10.194
  378   2HB   GLU 178          HB3       GLU 178  -5.894   9.128 -10.553
  379   1HG   GLU 178          HG2       GLU 178  -4.551  11.200  -8.780
  380   2HG   GLU 178          HG3       GLU 178  -4.473  11.293 -10.547
  381    H    LYS 179           H        LYS 179  -4.896   6.516  -9.697
  382    HA   LYS 179           HA       LYS 179  -7.478   5.465 -10.180
  383   1HB   LYS 179          HB2       LYS 179  -4.946   3.823  -9.717
  384   2HB   LYS 179          HB3       LYS 179  -6.379   3.352 -10.635
  385   1HG   LYS 179          HG2       LYS 179  -5.878   5.158 -12.301
  386   2HG   LYS 179          HG3       LYS 179  -4.415   5.546 -11.382
  387   1HD   LYS 179          HD2       LYS 179  -3.705   3.099 -11.696
  388   2HD   LYS 179          HD3       LYS 179  -5.048   2.940 -12.822
  389   1HE   LYS 179          HE2       LYS 179  -3.090   3.387 -14.127
  390   2HE   LYS 179          HE3       LYS 179  -4.054   4.893 -14.152
  391   1HZ   LYS 179          HZ1       LYS 179  -1.706   5.357 -13.716
  392   2HZ   LYS 179          HZ2       LYS 179  -2.557   5.724 -12.375
  393   3HZ   LYS 179          HZ3       LYS 179  -1.711   4.335 -12.439
  394    H    MET 180           H        MET 180  -5.331   4.946  -7.380
  395    HA   MET 180           HA       MET 180  -7.054   3.133  -5.932
  396   1HB   MET 180          HB2       MET 180  -4.874   5.045  -5.008
  397   2HB   MET 180          HB3       MET 180  -5.731   3.952  -3.921
  398   1HG   MET 180          HG2       MET 180  -4.980   2.011  -5.137
  399   2HG   MET 180          HG3       MET 180  -4.247   3.002  -6.392
  400   1HE   MET 180          HE1       MET 180  -0.987   2.612  -5.777
  401   2HE   MET 180          HE2       MET 180  -2.258   3.425  -6.672
  402   3HE   MET 180          HE3       MET 180  -1.291   4.340  -5.503
  403    H    ILE 181           H        ILE 181  -6.923   6.780  -5.881
  404    HA   ILE 181           HA       ILE 181  -8.617   6.893  -3.483
  405    HB   ILE 181           HB       ILE 181  -7.632   8.983  -5.488
  406   1HG1  ILE 181          HG12      ILE 181  -5.866   8.435  -3.968
  407   2HG1  ILE 181          HG13      ILE 181  -6.553   9.945  -3.444
  408   1HG2  ILE 181          HG21      ILE 181  -9.511   9.427  -3.123
  409   2HG2  ILE 181          HG22      ILE 181  -8.652  10.711  -4.004
  410   3HG2  ILE 181          HG23      ILE 181  -9.846   9.738  -4.837
  411   1HD1  ILE 181          HD11      ILE 181  -6.777   7.204  -2.173
  412   2HD1  ILE 181          HD12      ILE 181  -6.187   8.718  -1.457
  413   3HD1  ILE 181          HD13      ILE 181  -7.921   8.485  -1.752
  414    H    GLN 182           H        GLN 182  -9.090   7.536  -6.985
  415    HA   GLN 182           HA       GLN 182 -11.887   7.974  -6.726
  416   1HB   GLN 182          HB2       GLN 182 -10.296   6.765  -9.005
  417   2HB   GLN 182          HB3       GLN 182 -11.854   7.631  -9.133
  418   1HG   GLN 182          HG2       GLN 182 -10.741   9.736  -8.684
  419   2HG   GLN 182          HG3       GLN 182  -9.249   8.971  -8.293
  420   1HE2  GLN 182          HE21      GLN 182  -8.302  10.299 -10.030
  421   2HE2  GLN 182          HE22      GLN 182  -8.372   9.677 -11.668
  422    H    VAL 183           H        VAL 183 -10.049   4.902  -6.877
  423    HA   VAL 183           HA       VAL 183 -12.422   3.253  -7.358
  424    HB   VAL 183           HB       VAL 183  -9.563   2.647  -6.628
  425   1HG1  VAL 183          HG11      VAL 183 -10.049   0.216  -6.666
  426   2HG1  VAL 183          HG12      VAL 183 -10.711   1.013  -5.243
  427   3HG1  VAL 183          HG13      VAL 183 -11.788   0.571  -6.593
  428   1HG2  VAL 183          HG21      VAL 183 -10.343   3.009  -9.025
  429   2HG2  VAL 183          HG22      VAL 183 -11.379   1.590  -8.857
  430   3HG2  VAL 183          HG23      VAL 183  -9.612   1.428  -8.736
  431    H    VAL 184           H        VAL 184 -10.522   4.178  -4.400
  432    HA   VAL 184           HA       VAL 184 -12.220   2.580  -2.652
  433    HB   VAL 184           HB       VAL 184 -10.221   4.816  -2.135
  434   1HG1  VAL 184          HG11      VAL 184 -11.759   3.196  -0.050
  435   2HG1  VAL 184          HG12      VAL 184 -11.856   4.954  -0.298
  436   3HG1  VAL 184          HG13      VAL 184 -10.357   4.241   0.276
  437   1HG2  VAL 184          HG21      VAL 184  -8.903   2.922  -1.183
  438   2HG2  VAL 184          HG22      VAL 184  -9.290   2.645  -2.882
  439   3HG2  VAL 184          HG23      VAL 184 -10.212   1.808  -1.626
  440    H    ASP 185           H        ASP 185 -12.295   6.014  -3.768
  441    HA   ASP 185           HA       ASP 185 -14.469   6.843  -2.120
  442   1HB   ASP 185          HB2       ASP 185 -12.723   8.143  -3.586
  443   2HB   ASP 185          HB3       ASP 185 -13.876   7.919  -4.896
  444    H    GLU 186           H        GLU 186 -14.394   5.502  -5.443
  445    HA   GLU 186           HA       GLU 186 -17.211   5.402  -5.937
  446   1HB   GLU 186          HB2       GLU 186 -15.488   5.292  -7.637
  447   2HB   GLU 186          HB3       GLU 186 -14.841   3.800  -6.949
  448   1HG   GLU 186          HG2       GLU 186 -16.849   2.581  -7.708
  449   2HG   GLU 186          HG3       GLU 186 -17.502   4.090  -8.391
  450    H    ILE 187           H        ILE 187 -15.067   3.153  -4.217
  451    HA   ILE 187           HA       ILE 187 -17.111   1.068  -3.867
  452    HB   ILE 187           HB       ILE 187 -14.307   1.615  -2.867
  453   1HG1  ILE 187          HG12      ILE 187 -15.513  -0.762  -4.355
  454   2HG1  ILE 187          HG13      ILE 187 -14.805   0.635  -5.152
  455   1HG2  ILE 187          HG21      ILE 187 -14.240  -0.432  -1.564
  456   2HG2  ILE 187          HG22      ILE 187 -15.388   0.690  -0.879
  457   3HG2  ILE 187          HG23      ILE 187 -15.987  -0.690  -1.831
  458   1HD1  ILE 187          HD11      ILE 187 -12.630   0.152  -3.959
  459   2HD1  ILE 187          HD12      ILE 187 -13.347  -1.379  -3.405
  460   3HD1  ILE 187          HD13      ILE 187 -13.146  -1.073  -5.138
  461    H    ASP 188           H        ASP 188 -15.719   3.562  -1.729
  462    HA   ASP 188           HA       ASP 188 -17.230   2.772   0.554
  463   1HB   ASP 188          HB2       ASP 188 -14.977   3.992   0.329
  464   2HB   ASP 188          HB3       ASP 188 -15.907   5.473   0.078
  465    H    SER 189           H        SER 189 -17.621   5.431  -1.848
  466    HA   SER 189           HA       SER 189 -20.142   6.402  -0.768
  467   1HB   SER 189          HB2       SER 189 -18.616   7.821  -2.153
  468   2HB   SER 189          HB3       SER 189 -19.000   6.796  -3.554
  469    HG   SER 189           HG       SER 189 -21.278   7.263  -2.929
  470    H    ILE 190           H        ILE 190 -19.421   3.546  -2.575
  471    HA   ILE 190           HA       ILE 190 -22.268   3.304  -3.446
  472    HB   ILE 190           HB       ILE 190 -19.793   1.637  -3.805
  473   1HG1  ILE 190          HG12      ILE 190 -22.153   2.407  -5.578
  474   2HG1  ILE 190          HG13      ILE 190 -20.632   3.283  -5.471
  475   1HG2  ILE 190          HG21      ILE 190 -21.300  -0.035  -2.806
  476   2HG2  ILE 190          HG22      ILE 190 -22.580   0.412  -3.965
  477   3HG2  ILE 190          HG23      ILE 190 -21.069  -0.340  -4.516
  478   1HD1  ILE 190          HD11      ILE 190 -19.456   1.180  -6.300
  479   2HD1  ILE 190          HD12      ILE 190 -20.540   1.973  -7.459
  480   3HD1  ILE 190          HD13      ILE 190 -21.072   0.504  -6.629
  481    H    THR 191           H        THR 191 -20.244   2.498  -0.742
  482    HA   THR 191           HA       THR 191 -20.642   1.935   1.417
  483    HB   THR 191           HB       THR 191 -23.484   2.864   0.872
  484    HG1  THR 191           HG1      THR 191 -21.023   4.204   0.960
  485   1HG2  THR 191          HG21      THR 191 -23.256   3.829   3.168
  486   2HG2  THR 191          HG22      THR 191 -23.214   2.062   3.167
  487   3HG2  THR 191          HG23      THR 191 -21.702   2.984   3.347
  488    H    THR 192           H        THR 192 -22.612   0.380  -0.841
  489    HA   THR 192           HA       THR 192 -23.756  -1.702   0.823
  490    HB   THR 192           HB       THR 192 -23.593  -1.559  -2.218
  491    HG1  THR 192           HG1      THR 192 -24.415   0.415  -1.432
  492   1HG2  THR 192          HG21      THR 192 -24.621  -3.646  -1.452
  493   2HG2  THR 192          HG22      THR 192 -25.651  -2.753  -0.302
  494   3HG2  THR 192          HG23      THR 192 -25.887  -2.574  -2.051
  495    H    LEU 193           H        LEU 193 -20.694  -1.175  -0.105
  496    HA   LEU 193           HA       LEU 193 -19.879  -4.012  -0.510
  497   1HB   LEU 193          HB2       LEU 193 -19.110  -1.413  -1.731
  498   2HB   LEU 193          HB3       LEU 193 -17.729  -2.233  -1.076
  499    HG   LEU 193           HG       LEU 193 -18.359  -4.301  -2.359
  500   1HD1  LEU 193          HD11      LEU 193 -19.996  -4.096  -4.221
  501   2HD1  LEU 193          HD12      LEU 193 -20.777  -3.972  -2.641
  502   3HD1  LEU 193          HD13      LEU 193 -20.487  -2.506  -3.601
  503   1HD2  LEU 193          HD21      LEU 193 -18.008  -1.768  -4.016
  504   2HD2  LEU 193          HD22      LEU 193 -16.711  -2.710  -3.244
  505   3HD2  LEU 193          HD23      LEU 193 -17.656  -3.425  -4.559
  506    HA   PRO 194           HA       PRO 194 -17.464  -3.389   3.325
  507   1HB   PRO 194          HB2       PRO 194 -15.153  -4.757   3.004
  508   2HB   PRO 194          HB3       PRO 194 -16.727  -5.607   2.993
  509   1HG   PRO 194          HG2       PRO 194 -15.015  -4.775   0.640
  510   2HG   PRO 194          HG3       PRO 194 -15.902  -6.312   0.885
  511   1HD   PRO 194          HD2       PRO 194 -16.796  -4.125  -0.597
  512   2HD   PRO 194          HD3       PRO 194 -17.874  -5.376   0.079
  513    H    ASP 195           H        ASP 195 -15.463  -2.359   4.243
  514    HA   ASP 195           HA       ASP 195 -14.433  -0.167   2.638
  515   1HB   ASP 195          HB2       ASP 195 -14.574   0.203   5.012
  516   2HB   ASP 195          HB3       ASP 195 -13.614  -1.240   5.360
  517    H    LEU 196           H        LEU 196 -12.672  -0.008   1.563
  518    HA   LEU 196           HA       LEU 196 -10.495  -2.009   1.847
  519   1HB   LEU 196          HB2       LEU 196 -11.752  -2.192  -0.344
  520   2HB   LEU 196          HB3       LEU 196 -11.285  -0.538  -0.718
  521    HG   LEU 196           HG       LEU 196  -9.350  -2.861  -0.266
  522   1HD1  LEU 196          HD11      LEU 196 -10.766  -3.155  -2.277
  523   2HD1  LEU 196          HD12      LEU 196 -10.284  -1.541  -2.849
  524   3HD1  LEU 196          HD13      LEU 196  -9.081  -2.843  -2.712
  525   1HD2  LEU 196          HD21      LEU 196  -8.174  -0.807   0.210
  526   2HD2  LEU 196          HD22      LEU 196  -7.722  -1.330  -1.390
  527   3HD2  LEU 196          HD23      LEU 196  -8.872  -0.009  -1.226
  528    H    THR 197           H        THR 197  -9.370  -0.866   3.355
  529    HA   THR 197           HA       THR 197  -8.956   2.000   3.194
  530    HB   THR 197           HB       THR 197  -7.902  -0.185   4.975
  531    HG1  THR 197           HG1      THR 197  -9.963   0.828   5.328
  532   1HG2  THR 197          HG21      THR 197  -6.973   2.728   4.941
  533   2HG2  THR 197          HG22      THR 197  -6.739   1.598   6.289
  534   3HG2  THR 197          HG23      THR 197  -5.937   1.289   4.747
  535    HA   PRO 198           HA       PRO 198  -5.477   1.415   0.362
  536   1HB   PRO 198          HB2       PRO 198  -5.069   3.972  -0.446
  537   2HB   PRO 198          HB3       PRO 198  -6.430   2.962  -0.993
  538   1HG   PRO 198          HG2       PRO 198  -6.457   5.129   1.086
  539   2HG   PRO 198          HG3       PRO 198  -7.689   4.769  -0.146
  540   1HD   PRO 198          HD2       PRO 198  -7.781   3.943   2.538
  541   2HD   PRO 198          HD3       PRO 198  -8.663   3.152   1.202
  542    H    LEU 199           H        LEU 199  -3.339   1.349   0.677
  543    HA   LEU 199           HA       LEU 199  -2.250   2.760   3.064
  544   1HB   LEU 199          HB2       LEU 199  -3.134   0.348   3.289
  545   2HB   LEU 199          HB3       LEU 199  -1.749  -0.134   2.322
  546    HG   LEU 199           HG       LEU 199  -0.328   1.137   4.091
  547   1HD1  LEU 199          HD11      LEU 199  -2.979   1.012   5.561
  548   2HD1  LEU 199          HD12      LEU 199  -1.405   1.233   6.353
  549   3HD1  LEU 199          HD13      LEU 199  -1.953   2.426   5.183
  550   1HD2  LEU 199          HD21      LEU 199  -1.935  -1.371   4.842
  551   2HD2  LEU 199          HD22      LEU 199  -0.340  -1.330   4.052
  552   3HD2  LEU 199          HD23      LEU 199  -0.508  -0.832   5.734
  553    H    PHE 200           H        PHE 200  -0.892   4.149   2.266
  554    HA   PHE 200           HA       PHE 200   0.948   3.536   0.039
  555   1HB   PHE 200          HB2       PHE 200  -0.162   5.699   0.158
  556   2HB   PHE 200          HB3       PHE 200   0.502   6.002   1.762
  557    HD1  PHE 200           HD1      PHE 200   1.269   5.741  -1.850
  558    HD2  PHE 200           HD2      PHE 200   2.787   6.795   2.040
  559    HE1  PHE 200           HE1      PHE 200   3.162   6.932  -2.919
  560    HE2  PHE 200           HE2      PHE 200   4.685   7.972   0.983
  561    HZ   PHE 200           HZ       PHE 200   4.892   8.042  -1.502
  562    H    ILE 201           H        ILE 201   2.774   2.462   0.405
  563    HA   ILE 201           HA       ILE 201   4.129   2.623   3.073
  564    HB   ILE 201           HB       ILE 201   4.403   0.613   0.794
  565   1HG1  ILE 201          HG12      ILE 201   3.097   0.423   3.557
  566   2HG1  ILE 201          HG13      ILE 201   2.293   0.316   1.992
  567   1HG2  ILE 201          HG21      ILE 201   5.753   0.646   3.535
  568   2HG2  ILE 201          HG22      ILE 201   5.919  -0.596   2.270
  569   3HG2  ILE 201          HG23      ILE 201   6.554   1.006   1.988
  570   1HD1  ILE 201          HD11      ILE 201   3.660  -1.781   1.532
  571   2HD1  ILE 201          HD12      ILE 201   4.149  -1.731   3.239
  572   3HD1  ILE 201          HD13      ILE 201   2.441  -1.900   2.822
  573    H    SER 202           H        SER 202   5.786   4.047   3.202
  574    HA   SER 202           HA       SER 202   7.083   5.021   0.729
  575   1HB   SER 202          HB2       SER 202   6.741   6.486   2.745
  576   2HB   SER 202          HB3       SER 202   7.907   5.454   3.605
  577    HG   SER 202           HG       SER 202   9.230   6.866   2.778
  578    H    ILE 203           H        ILE 203   9.014   4.257  -0.111
  579    HA   ILE 203           HA       ILE 203  10.528   2.262   1.515
  580    HB   ILE 203           HB       ILE 203  11.838   1.724  -0.380
  581   1HG1  ILE 203          HG12      ILE 203  10.444   3.993  -1.831
  582   2HG1  ILE 203          HG13      ILE 203  12.156   3.839  -1.457
  583   1HG2  ILE 203          HG21      ILE 203   9.579   0.685  -0.058
  584   2HG2  ILE 203          HG22      ILE 203   8.932   1.802  -1.280
  585   3HG2  ILE 203          HG23      ILE 203  10.176   0.609  -1.716
  586   1HD1  ILE 203          HD11      ILE 203  12.269   1.850  -2.969
  587   2HD1  ILE 203          HD12      ILE 203  10.581   2.152  -3.441
  588   3HD1  ILE 203          HD13      ILE 203  11.822   3.361  -3.794
  589    H    ASP 204           H        ASP 204  10.331   5.513   1.345
  590    HA   ASP 204           HA       ASP 204  13.192   5.886   2.077
  591   1HB   ASP 204          HB2       ASP 204  12.129   7.363   0.300
  592   2HB   ASP 204          HB3       ASP 204  11.184   8.098   1.585
  593    HA   PRO 205           HA       PRO 205  11.390   6.604   6.220
  594   1HB   PRO 205          HB2       PRO 205  13.023   5.071   7.691
  595   2HB   PRO 205          HB3       PRO 205  11.932   4.284   6.504
  596   1HG   PRO 205          HG2       PRO 205  14.872   4.948   6.161
  597   2HG   PRO 205          HG3       PRO 205  14.019   3.416   5.804
  598   1HD   PRO 205          HD2       PRO 205  14.509   5.435   3.926
  599   2HD   PRO 205          HD3       PRO 205  13.224   4.195   3.801
  600    H    GLU 206           H        GLU 206  14.209   7.710   4.694
  601    HA   GLU 206           HA       GLU 206  15.648   8.375   7.220
  602   1HB   GLU 206          HB2       GLU 206  16.443   6.620   5.460
  603   2HB   GLU 206          HB3       GLU 206  16.972   8.016   4.521
  604   1HG   GLU 206          HG2       GLU 206  18.610   8.594   6.157
  605   2HG   GLU 206          HG3       GLU 206  17.770   7.713   7.441
  606    H    ARG 207           H        ARG 207  13.678   9.947   5.755
  607    HA   ARG 207           HA       ARG 207  14.577  12.558   6.250
  608   1HB   ARG 207          HB2       ARG 207  14.536  13.551   3.965
  609   2HB   ARG 207          HB3       ARG 207  15.925  12.516   4.262
  610   1HG   ARG 207          HG3       ARG 207  14.759  10.664   3.038
  611   2HG   ARG 207          HG2       ARG 207  13.447  11.774   2.660
  612   1HD   ARG 207          HD2       ARG 207  14.726  11.693   0.738
  613   2HD   ARG 207          HD3       ARG 207  15.112  13.240   1.466
  614    HE   ARG 207           HE       ARG 207  17.311  12.592   1.464
  615   1HH1  ARG 207          HH22      ARG 207  15.495   9.494   1.582
  616   2HH1  ARG 207          HH21      ARG 207  16.982   8.599   1.459
  617   1HH2  ARG 207          HH12      ARG 207  19.130  11.275   1.208
  618   2HH2  ARG 207          HH11      ARG 207  18.930   9.557   1.275
  619    H    ASP 208           H        ASP 208  12.390  10.697   4.102
  620    HA   ASP 208           HA       ASP 208  10.035  12.267   4.504
  621   1HB   ASP 208          HB2       ASP 208  10.641   9.523   3.449
  622   2HB   ASP 208          HB3       ASP 208   8.970   9.948   3.843
  623    H    THR 209           H        THR 209   9.812  12.774   6.527
  624    HA   THR 209           HA       THR 209   9.676  10.870   8.741
  625    HB   THR 209           HB       THR 209   9.121  13.873   8.607
  626    HG1  THR 209           HG1      THR 209  11.290  13.025   8.056
  627   1HG2  THR 209          HG21      THR 209   8.190  12.961  10.688
  628   2HG2  THR 209          HG22      THR 209   9.689  12.050  10.994
  629   3HG2  THR 209          HG23      THR 209   9.683  13.826  11.043
  630    H    LYS 210           H        LYS 210   7.784  10.500  10.026
  631    HA   LYS 210           HA       LYS 210   5.494   9.924   8.545
  632   1HB   LYS 210          HB2       LYS 210   4.449   9.253  10.559
  633   2HB   LYS 210          HB3       LYS 210   6.164   8.893  10.727
  634   1HG   LYS 210          HG2       LYS 210   6.433  11.037  11.994
  635   2HG   LYS 210          HG3       LYS 210   4.676  11.291  11.883
  636   1HD   LYS 210          HD2       LYS 210   4.433   9.053  13.118
  637   2HD   LYS 210          HD3       LYS 210   6.166   9.170  13.462
  638   1HE   LYS 210          HE2       LYS 210   3.953  11.135  14.213
  639   2HE   LYS 210          HE3       LYS 210   4.897  10.148  15.333
  640   1HZ   LYS 210          HZ1       LYS 210   5.573  12.541  15.132
  641   2HZ   LYS 210          HZ2       LYS 210   6.846  11.527  14.752
  642   3HZ   LYS 210          HZ3       LYS 210   5.958  12.349  13.626
  643    H    GLU 211           H        GLU 211   5.988  12.986  10.417
  644    HA   GLU 211           HA       GLU 211   3.507  14.202   9.861
  645   1HB   GLU 211          HB2       GLU 211   6.333  15.278  10.215
  646   2HB   GLU 211          HB3       GLU 211   4.982  16.348   9.879
  647   1HG   GLU 211          HG2       GLU 211   5.351  16.372  12.222
  648   2HG   GLU 211          HG3       GLU 211   3.803  15.597  11.895
  649    H    ALA 212           H        ALA 212   6.410  14.067   7.704
  650    HA   ALA 212           HA       ALA 212   5.289  15.890   5.719
  651   1HB   ALA 212          HB1       ALA 212   7.192  15.088   4.355
  652   2HB   ALA 212          HB2       ALA 212   7.734  15.531   5.984
  653   3HB   ALA 212          HB3       ALA 212   7.541  13.818   5.537
  654    H    ILE 213           H        ILE 213   5.609  12.356   6.019
  655    HA   ILE 213           HA       ILE 213   4.064  11.600   3.727
  656    HB   ILE 213           HB       ILE 213   4.485  10.214   6.407
  657   1HG1  ILE 213          HG12      ILE 213   5.830   9.763   3.698
  658   2HG1  ILE 213          HG13      ILE 213   6.540  10.701   5.008
  659   1HG2  ILE 213          HG21      ILE 213   2.460   9.298   5.320
  660   2HG2  ILE 213          HG22      ILE 213   3.373   9.045   3.816
  661   3HG2  ILE 213          HG23      ILE 213   3.759   8.124   5.286
  662   1HD1  ILE 213          HD11      ILE 213   5.943   7.728   5.074
  663   2HD1  ILE 213          HD12      ILE 213   7.519   8.523   5.059
  664   3HD1  ILE 213          HD13      ILE 213   6.476   8.684   6.482
  665    H    ALA 214           H        ALA 214   2.918  12.262   7.082
  666    HA   ALA 214           HA       ALA 214   0.200  11.736   6.691
  667   1HB   ALA 214          HB1       ALA 214  -0.183  13.208   8.618
  668   2HB   ALA 214          HB2       ALA 214   1.302  12.295   8.921
  669   3HB   ALA 214          HB3       ALA 214   1.390  13.982   8.398
  670    H    ASN 215           H        ASN 215   1.882  14.834   6.073
  671    HA   ASN 215           HA       ASN 215  -0.435  16.191   5.044
  672   1HB   ASN 215          HB2       ASN 215   2.549  16.627   4.761
  673   2HB   ASN 215          HB3       ASN 215   1.376  17.605   3.873
  674   1HD2  ASN 215          HD21      ASN 215   2.572  16.826   7.156
  675   2HD2  ASN 215          HD22      ASN 215   1.770  18.215   7.885
  676    H    TYR 216           H        TYR 216   2.203  14.427   3.287
  677    HA   TYR 216           HA       TYR 216   1.136  14.788   0.707
  678   1HB   TYR 216          HB2       TYR 216   3.420  13.956   1.387
  679   2HB   TYR 216          HB3       TYR 216   2.702  12.397   1.754
  680    HD1  TYR 216           HD1      TYR 216   3.641  10.910   0.199
  681    HD2  TYR 216           HD2      TYR 216   2.236  14.745  -1.193
  682    HE1  TYR 216           HE1      TYR 216   4.204  10.269  -2.130
  683    HE2  TYR 216           HE2      TYR 216   2.802  14.109  -3.519
  684    HH   TYR 216           HH       TYR 216   4.302  10.969  -4.339
  685    H    VAL 217           H        VAL 217   0.404  12.283   3.079
  686    HA   VAL 217           HA       VAL 217  -1.358  10.654   1.543
  687    HB   VAL 217           HB       VAL 217  -0.959  11.164   4.495
  688   1HG1  VAL 217          HG11      VAL 217  -2.484   9.209   4.957
  689   2HG1  VAL 217          HG12      VAL 217  -3.304  10.719   4.544
  690   3HG1  VAL 217          HG13      VAL 217  -3.156   9.433   3.333
  691   1HG2  VAL 217          HG21      VAL 217  -0.659   8.642   2.818
  692   2HG2  VAL 217          HG22      VAL 217   0.656   9.758   3.177
  693   3HG2  VAL 217          HG23      VAL 217  -0.152   8.903   4.498
  694    H    LYS 218           H        LYS 218  -2.206  13.477   3.698
  695    HA   LYS 218           HA       LYS 218  -4.991  13.130   3.060
  696   1HB   LYS 218          HB2       LYS 218  -5.461  15.072   4.375
  697   2HB   LYS 218          HB3       LYS 218  -4.421  13.933   5.201
  698   1HG   LYS 218          HG2       LYS 218  -3.831  16.194   5.758
  699   2HG   LYS 218          HG3       LYS 218  -2.498  15.403   4.935
  700   1HD   LYS 218          HD2       LYS 218  -2.885  16.645   2.922
  701   2HD   LYS 218          HD3       LYS 218  -4.412  17.302   3.520
  702   1HE   LYS 218          HE2       LYS 218  -3.320  18.711   5.086
  703   2HE   LYS 218          HE3       LYS 218  -1.804  17.796   5.010
  704   1HZ   LYS 218          HZ1       LYS 218  -1.336  18.640   2.882
  705   2HZ   LYS 218          HZ2       LYS 218  -2.777  19.135   2.575
  706   3HZ   LYS 218          HZ3       LYS 218  -1.844  19.970   3.698
  707    H    GLU 219           H        GLU 219  -2.585  14.766   1.206
  708    HA   GLU 219           HA       GLU 219  -4.397  16.522  -0.206
  709   1HB   GLU 219          HB2       GLU 219  -2.111  15.231  -1.654
  710   2HB   GLU 219          HB3       GLU 219  -2.761  16.850  -1.808
  711   1HG   GLU 219          HG2       GLU 219  -0.884  15.766   0.294
  712   2HG   GLU 219          HG3       GLU 219  -0.517  16.912  -0.972
  713    H    PHE 220           H        PHE 220  -3.627  13.069  -0.452
  714    HA   PHE 220           HA       PHE 220  -5.112  12.729  -2.952
  715   1HB   PHE 220          HB2       PHE 220  -3.788  10.759  -1.030
  716   2HB   PHE 220          HB3       PHE 220  -4.554  10.297  -2.541
  717    HD1  PHE 220           HD1      PHE 220  -1.444  11.097  -1.129
  718    HD2  PHE 220           HD2      PHE 220  -3.819  11.788  -4.658
  719    HE1  PHE 220           HE1      PHE 220   0.597  11.741  -2.375
  720    HE2  PHE 220           HE2      PHE 220  -1.802  12.452  -5.891
  721    HZ   PHE 220           HZ       PHE 220   0.435  12.428  -4.764
  722    H    SER 221           H        SER 221  -5.602  11.541   0.403
  723    HA   SER 221           HA       SER 221  -8.263  12.482   0.460
  724   1HB   SER 221          HB2       SER 221  -8.827  10.557  -0.982
  725   2HB   SER 221          HB3       SER 221  -8.104   9.462   0.216
  726    HG   SER 221           HG       SER 221 -10.546  10.024   0.156
  727    HA   PRO 222           HA       PRO 222  -7.005  12.024   4.720
  728   1HB   PRO 222          HB2       PRO 222  -9.350  12.539   6.061
  729   2HB   PRO 222          HB3       PRO 222  -8.385  13.781   5.211
  730   1HG   PRO 222          HG2       PRO 222 -10.794  12.282   4.146
  731   2HG   PRO 222          HG3       PRO 222 -10.516  14.057   4.161
  732   1HD   PRO 222          HD2       PRO 222  -9.964  12.594   1.968
  733   2HD   PRO 222          HD3       PRO 222  -8.851  13.897   2.473
  734    H    LYS 223           H        LYS 223  -9.403   9.906   3.292
  735    HA   LYS 223           HA       LYS 223  -9.462   8.103   5.608
  736   1HB   LYS 223          HB2       LYS 223 -11.225   8.373   3.655
  737   2HB   LYS 223          HB3       LYS 223 -10.169   7.243   2.795
  738   1HG   LYS 223          HG2       LYS 223 -10.376   5.700   4.851
  739   2HG   LYS 223          HG3       LYS 223 -11.565   6.843   5.482
  740   1HD   LYS 223          HD2       LYS 223 -12.963   6.408   3.418
  741   2HD   LYS 223          HD3       LYS 223 -11.765   5.188   2.926
  742   1HE   LYS 223          HE2       LYS 223 -12.118   4.083   5.211
  743   2HE   LYS 223          HE3       LYS 223 -13.457   5.224   5.466
  744   1HZ   LYS 223          HZ1       LYS 223 -14.387   3.243   4.599
  745   2HZ   LYS 223          HZ2       LYS 223 -14.413   4.279   3.352
  746   3HZ   LYS 223          HZ3       LYS 223 -13.261   3.067   3.460
  747    H    LEU 224           H        LEU 224  -7.074   8.717   3.229
  748    HA   LEU 224           HA       LEU 224  -6.085   5.967   3.015
  749   1HB   LEU 224          HB2       LEU 224  -6.049   7.657   1.173
  750   2HB   LEU 224          HB3       LEU 224  -4.875   8.609   2.052
  751    HG   LEU 224           HG       LEU 224  -4.174   5.734   1.505
  752   1HD1  LEU 224          HD11      LEU 224  -5.153   6.451  -0.643
  753   2HD1  LEU 224          HD12      LEU 224  -4.056   7.852  -0.675
  754   3HD1  LEU 224          HD13      LEU 224  -3.411   6.195  -0.756
  755   1HD2  LEU 224          HD21      LEU 224  -1.938   6.632   1.153
  756   2HD2  LEU 224          HD22      LEU 224  -2.544   8.296   1.251
  757   3HD2  LEU 224          HD23      LEU 224  -2.564   7.244   2.681
  758    H    VAL 225           H        VAL 225  -3.990   5.193   3.710
  759    HA   VAL 225           HA       VAL 225  -3.106   6.539   6.246
  760    HB   VAL 225           HB       VAL 225  -3.656   3.609   5.727
  761   1HG1  VAL 225          HG11      VAL 225  -2.429   4.855   8.240
  762   2HG1  VAL 225          HG12      VAL 225  -2.899   3.159   8.036
  763   3HG1  VAL 225          HG13      VAL 225  -1.565   3.823   7.094
  764   1HG2  VAL 225          HG21      VAL 225  -4.848   5.569   7.722
  765   2HG2  VAL 225          HG22      VAL 225  -5.660   4.869   6.305
  766   3HG2  VAL 225          HG23      VAL 225  -5.195   3.828   7.652
  767    H    GLY 226           H        GLY 226  -0.970   6.706   6.626
  768   1HA   GLY 226          HA1       GLY 226   0.906   5.921   4.414
  769   2HA   GLY 226          HA2       GLY 226   1.040   7.367   5.418
  770    H    LEU 227           H        LEU 227   2.626   4.711   4.889
  771    HA   LEU 227           HA       LEU 227   3.266   4.090   7.748
  772   1HB   LEU 227          HB2       LEU 227   2.666   2.433   5.336
  773   2HB   LEU 227          HB3       LEU 227   4.052   1.912   6.259
  774    HG   LEU 227           HG       LEU 227   2.728   1.699   8.307
  775   1HD1  LEU 227          HD11      LEU 227   0.204   1.843   8.144
  776   2HD1  LEU 227          HD12      LEU 227   1.039   3.390   8.128
  777   3HD1  LEU 227          HD13      LEU 227   0.426   2.711   6.603
  778   1HD2  LEU 227          HD21      LEU 227   1.272  -0.185   7.539
  779   2HD2  LEU 227          HD22      LEU 227   1.488   0.360   5.859
  780   3HD2  LEU 227          HD23      LEU 227   2.870  -0.237   6.792
  781    H    THR 228           H        THR 228   5.313   3.834   8.410
  782    HA   THR 228           HA       THR 228   7.610   3.461   6.637
  783    HB   THR 228           HB       THR 228   7.123   6.091   8.036
  784    HG1  THR 228           HG1      THR 228   6.825   5.440   5.743
  785   1HG2  THR 228          HG21      THR 228   9.373   5.507   8.873
  786   2HG2  THR 228          HG22      THR 228   9.852   5.025   7.224
  787   3HG2  THR 228          HG23      THR 228   9.474   6.719   7.588
  788    H    GLY 229           H        GLY 229   9.178   2.411   7.662
  789   1HA   GLY 229          HA1       GLY 229   9.179   2.180  10.667
  790   2HA   GLY 229          HA2       GLY 229   9.650   0.840   9.612
  791    H    THR 230           H        THR 230  11.746   1.004  10.791
  792    HA   THR 230           HA       THR 230  13.571   3.002   9.613
  793    HB   THR 230           HB       THR 230  14.104   2.153  11.826
  794    HG1  THR 230           HG1      THR 230  16.155   1.051  10.342
  795   1HG2  THR 230          HG21      THR 230  14.361  -0.568  10.487
  796   2HG2  THR 230          HG22      THR 230  15.069  -0.146  12.059
  797   3HG2  THR 230          HG23      THR 230  13.316  -0.114  11.849
  798    H    ARG 231           H        ARG 231  15.231   2.193   8.360
  799    HA   ARG 231           HA       ARG 231  14.636   1.340   5.751
  800   1HB   ARG 231          HB2       ARG 231  16.691   2.491   6.586
  801   2HB   ARG 231          HB3       ARG 231  17.153   0.996   7.376
  802   1HG   ARG 231          HG2       ARG 231  16.905   0.187   4.705
  803   2HG   ARG 231          HG3       ARG 231  17.421   1.858   4.547
  804   1HD   ARG 231          HD2       ARG 231  18.857  -0.498   5.751
  805   2HD   ARG 231          HD3       ARG 231  19.460   0.675   4.577
  806    HE   ARG 231           HE       ARG 231  19.494   0.770   7.488
  807   1HH1  ARG 231          HH22      ARG 231  19.437   3.041   4.706
  808   2HH1  ARG 231          HH21      ARG 231  19.717   4.402   5.757
  809   1HH2  ARG 231          HH12      ARG 231  19.923   2.612   8.674
  810   2HH2  ARG 231          HH11      ARG 231  19.930   4.177   7.847
  811    H    GLU 232           H        GLU 232  15.709  -0.645   8.495
  812    HA   GLU 232           HA       GLU 232  15.846  -3.154   7.111
  813   1HB   GLU 232          HB2       GLU 232  15.650  -2.551  10.093
  814   2HB   GLU 232          HB3       GLU 232  16.174  -4.054   9.354
  815   1HG   GLU 232          HG2       GLU 232  18.134  -2.906  10.088
  816   2HG   GLU 232          HG3       GLU 232  18.123  -2.896   8.328
  817    H    GLU 233           H        GLU 233  13.177  -1.507   8.802
  818    HA   GLU 233           HA       GLU 233  11.400  -3.850   8.594
  819   1HB   GLU 233          HB2       GLU 233  10.821  -0.975   9.327
  820   2HB   GLU 233          HB3       GLU 233   9.686  -2.327   9.441
  821   1HG   GLU 233          HG2       GLU 233  10.973  -3.396  11.174
  822   2HG   GLU 233          HG3       GLU 233  12.283  -2.220  11.022
  823    H    VAL 234           H        VAL 234  12.098  -0.831   6.874
  824    HA   VAL 234           HA       VAL 234  10.169  -1.056   4.767
  825    HB   VAL 234           HB       VAL 234  12.881   0.262   4.877
  826   1HG1  VAL 234          HG11      VAL 234  10.920   0.253   2.539
  827   2HG1  VAL 234          HG12      VAL 234  12.308   1.357   2.721
  828   3HG1  VAL 234          HG13      VAL 234  12.588  -0.368   2.518
  829   1HG2  VAL 234          HG21      VAL 234  10.048   1.358   4.752
  830   2HG2  VAL 234          HG22      VAL 234  11.085   1.301   6.193
  831   3HG2  VAL 234          HG23      VAL 234  11.541   2.317   4.819
  832    H    ASP 235           H        ASP 235  13.475  -2.493   5.090
  833    HA   ASP 235           HA       ASP 235  13.340  -4.247   2.837
  834   1HB   ASP 235          HB2       ASP 235  15.420  -4.128   3.876
  835   2HB   ASP 235          HB3       ASP 235  14.775  -4.381   5.481
  836    H    GLN 236           H        GLN 236  12.398  -5.197   6.290
  837    HA   GLN 236           HA       GLN 236  11.094  -7.387   5.764
  838   1HB   GLN 236          HB2       GLN 236  11.308  -6.374   7.994
  839   2HB   GLN 236          HB3       GLN 236  10.016  -5.239   7.633
  840   1HG   GLN 236          HG2       GLN 236   9.203  -7.021   9.044
  841   2HG   GLN 236          HG3       GLN 236   8.366  -7.002   7.490
  842   1HE2  GLN 236          HE21      GLN 236   9.044  -8.578   5.873
  843   2HE2  GLN 236          HE22      GLN 236  10.093  -9.892   6.382
  844    H    VAL 237           H        VAL 237   9.282  -4.262   5.181
  845    HA   VAL 237           HA       VAL 237   6.941  -5.738   4.260
  846    HB   VAL 237           HB       VAL 237   6.227  -3.613   3.086
  847   1HG1  VAL 237          HG11      VAL 237   5.498  -4.331   5.326
  848   2HG1  VAL 237          HG12      VAL 237   5.501  -2.582   5.121
  849   3HG1  VAL 237          HG13      VAL 237   6.811  -3.356   6.045
  850   1HG2  VAL 237          HG21      VAL 237   7.309  -1.509   3.741
  851   2HG2  VAL 237          HG22      VAL 237   8.588  -2.403   4.552
  852   3HG2  VAL 237          HG23      VAL 237   8.412  -2.490   2.784
  853    H    ALA 238           H        ALA 238   9.681  -4.314   2.416
  854    HA   ALA 238           HA       ALA 238   8.574  -4.905  -0.176
  855   1HB   ALA 238          HB1       ALA 238  10.931  -4.441  -0.903
  856   2HB   ALA 238          HB2       ALA 238  10.309  -3.198   0.202
  857   3HB   ALA 238          HB3       ALA 238  11.440  -4.436   0.797
  858    H    ARG 239           H        ARG 239  10.579  -6.659   2.070
  859    HA   ARG 239           HA       ARG 239  11.278  -8.904   0.411
  860   1HB   ARG 239          HB2       ARG 239  12.565  -7.852   2.227
  861   2HB   ARG 239          HB3       ARG 239  11.381  -8.416   3.412
  862   1HG   ARG 239          HG2       ARG 239  12.101 -10.720   3.091
  863   2HG   ARG 239          HG3       ARG 239  13.150 -10.236   1.721
  864   1HD   ARG 239          HD2       ARG 239  14.378  -8.685   3.187
  865   2HD   ARG 239          HD3       ARG 239  13.353  -9.120   4.562
  866    HE   ARG 239           HE       ARG 239  14.587 -11.480   3.636
  867   1HH1  ARG 239          HH22      ARG 239  15.532  -8.359   5.064
  868   2HH1  ARG 239          HH21      ARG 239  16.967  -8.991   5.788
  869   1HH2  ARG 239          HH12      ARG 239  16.493 -12.260   4.634
  870   2HH2  ARG 239          HH11      ARG 239  17.487 -11.171   5.561
  871    H    ALA 240           H        ALA 240   8.739  -8.400   2.979
  872    HA   ALA 240           HA       ALA 240   7.748 -11.107   2.869
  873   1HB   ALA 240          HB1       ALA 240   6.366  -8.489   3.634
  874   2HB   ALA 240          HB2       ALA 240   5.751 -10.125   3.949
  875   3HB   ALA 240          HB3       ALA 240   7.250  -9.577   4.731
  876    H    TYR 241           H        TYR 241   6.445  -8.144   1.265
  877    HA   TYR 241           HA       TYR 241   4.656  -9.687  -0.416
  878   1HB   TYR 241          HB2       TYR 241   5.489  -6.767  -0.288
  879   2HB   TYR 241          HB3       TYR 241   4.419  -7.376  -1.540
  880    HD1  TYR 241           HD1      TYR 241   4.648  -6.567   2.053
  881    HD2  TYR 241           HD2      TYR 241   2.221  -8.347  -1.029
  882    HE1  TYR 241           HE1      TYR 241   2.696  -6.574   3.594
  883    HE2  TYR 241           HE2      TYR 241   0.263  -8.331   0.505
  884    HH   TYR 241           HH       TYR 241   0.540  -7.255   3.914
  885    H    ARG 242           H        ARG 242   7.975  -9.019  -0.673
  886    HA   ARG 242           HA       ARG 242   9.579  -9.435  -2.208
  887   1HB   ARG 242          HB2       ARG 242   7.463 -11.192  -3.494
  888   2HB   ARG 242          HB3       ARG 242   9.191 -11.201  -3.868
  889   1HG   ARG 242          HG2       ARG 242   9.755 -11.979  -1.641
  890   2HG   ARG 242          HG3       ARG 242   8.080 -11.810  -1.099
  891   1HD   ARG 242          HD2       ARG 242   8.585 -14.139  -1.533
  892   2HD   ARG 242          HD3       ARG 242   7.334 -13.561  -2.626
  893    HE   ARG 242           HE       ARG 242  10.117 -14.332  -3.286
  894   1HH1  ARG 242          HH22      ARG 242   7.114 -12.979  -4.576
  895   2HH1  ARG 242          HH21      ARG 242   7.602 -13.205  -6.225
  896   1HH2  ARG 242          HH12      ARG 242  10.705 -14.565  -5.435
  897   2HH2  ARG 242          HH11      ARG 242   9.603 -14.115  -6.701
  898    H    VAL 243           H        VAL 243   8.775  -7.055  -2.553
  899    HA   VAL 243           HA       VAL 243   8.018  -6.564  -5.405
  900    HB   VAL 243           HB       VAL 243   6.936  -5.286  -3.415
  901   1HG1  VAL 243          HG11      VAL 243   9.397  -3.524  -3.708
  902   2HG1  VAL 243          HG12      VAL 243   7.989  -3.268  -2.667
  903   3HG1  VAL 243          HG13      VAL 243   9.086  -4.620  -2.347
  904   1HG2  VAL 243          HG21      VAL 243   6.532  -4.782  -5.787
  905   2HG2  VAL 243          HG22      VAL 243   6.573  -3.313  -4.803
  906   3HG2  VAL 243          HG23      VAL 243   7.960  -3.727  -5.823
  907    H    TYR 244           H        TYR 244   9.368  -5.130  -6.720
  908    HA   TYR 244           HA       TYR 244  12.245  -5.160  -5.952
  909   1HB   TYR 244          HB2       TYR 244  11.659  -6.179  -8.119
  910   2HB   TYR 244          HB3       TYR 244  10.915  -4.663  -8.635
  911    HD1  TYR 244           HD1      TYR 244  14.155  -6.090  -7.367
  912    HD2  TYR 244           HD2      TYR 244  12.254  -2.997  -9.698
  913    HE1  TYR 244           HE1      TYR 244  16.388  -5.156  -7.965
  914    HE2  TYR 244           HE2      TYR 244  14.453  -2.078 -10.301
  915    HH   TYR 244           HH       TYR 244  16.768  -2.208  -9.929
  916    H    TYR 245           H        TYR 245  13.493  -3.336  -5.952
  917    HA   TYR 245           HA       TYR 245  12.544  -0.809  -6.929
  918   1HB   TYR 245          HB2       TYR 245  12.783   0.505  -4.932
  919   2HB   TYR 245          HB3       TYR 245  11.540  -0.690  -4.700
  920    HD1  TYR 245           HD1      TYR 245  11.671  -2.210  -2.817
  921    HD2  TYR 245           HD2      TYR 245  15.011   0.306  -3.830
  922    HE1  TYR 245           HE1      TYR 245  12.661  -2.600  -0.564
  923    HE2  TYR 245           HE2      TYR 245  15.982  -0.052  -1.568
  924    HH   TYR 245           HH       TYR 245  14.361  -2.078   0.890
  925    H    SER 246           H        SER 246  14.241   0.295  -7.809
  926    HA   SER 246           HA       SER 246  16.962  -0.842  -7.403
  927   1HB   SER 246          HB2       SER 246  15.877  -0.630  -9.666
  928   2HB   SER 246          HB3       SER 246  16.059   1.108  -9.538
  929    HG   SER 246           HG       SER 246  18.225   0.901  -9.579
  930    HA   PRO 247           HA       PRO 247  17.754   3.143  -5.272
  931   1HB   PRO 247          HB2       PRO 247  19.745   2.385  -3.589
  932   2HB   PRO 247          HB3       PRO 247  18.029   1.966  -3.286
  933   1HG   PRO 247          HG2       PRO 247  20.169   0.234  -4.569
  934   2HG   PRO 247          HG3       PRO 247  19.025  -0.206  -3.261
  935   1HD   PRO 247          HD2       PRO 247  18.561  -0.807  -5.896
  936   2HD   PRO 247          HD3       PRO 247  17.237  -0.407  -4.758
  937    H    GLY 248           H        GLY 248  19.031   4.723  -5.920
  938   1HA   GLY 248          HA1       GLY 248  21.497   4.162  -7.504
  939   2HA   GLY 248          HA2       GLY 248  20.560   5.674  -7.491
  940    HA   PRO 249           HA       PRO 249  24.026   6.116  -4.323
  941   1HB   PRO 249          HB2       PRO 249  26.065   7.200  -5.742
  942   2HB   PRO 249          HB3       PRO 249  25.759   5.441  -5.775
  943   1HG   PRO 249          HG2       PRO 249  24.822   7.521  -7.789
  944   2HG   PRO 249          HG3       PRO 249  25.717   5.999  -8.114
  945   1HD   PRO 249          HD2       PRO 249  22.982   6.172  -8.280
  946   2HD   PRO 249          HD3       PRO 249  23.808   4.683  -7.726
  947    H    LYS 250           H        LYS 250  25.312   8.454  -4.161
  948    HA   LYS 250           HA       LYS 250  23.906  10.611  -5.478
  949   1HB   LYS 250          HB3       LYS 250  23.455  11.937  -3.440
  950   2HB   LYS 250          HB2       LYS 250  22.487  10.502  -3.579
  951   1HG   LYS 250          HG2       LYS 250  23.066  10.811  -1.296
  952   2HG   LYS 250          HG3       LYS 250  23.820   9.339  -1.871
  953   1HD   LYS 250          HD2       LYS 250  25.182  10.730  -0.284
  954   2HD   LYS 250          HD3       LYS 250  26.008  10.302  -1.769
  955   1HE   LYS 250          HE2       LYS 250  25.454  12.595  -2.702
  956   2HE   LYS 250          HE3       LYS 250  24.650  12.965  -1.180
  957   1HZ   LYS 250          HZ1       LYS 250  27.541  12.425  -1.457
  958   2HZ   LYS 250          HZ2       LYS 250  26.792  13.885  -1.193
  959   3HZ   LYS 250          HZ3       LYS 250  26.711  12.743  -0.046
  960    H    ASP 251           H        ASP 251  24.998  12.539  -5.568
  961    HA   ASP 251           HA       ASP 251  27.915  12.345  -5.114
  962   1HB   ASP 251          HB2       ASP 251  26.299  14.262  -6.841
  963   2HB   ASP 251          HB3       ASP 251  28.044  13.982  -6.882
  964    H    GLU 252           H        GLU 252  25.422  14.913  -4.953
  965    HA   GLU 252           HA       GLU 252  27.105  16.481  -3.142
  966   1HB   GLU 252          HB2       GLU 252  26.220  17.272  -5.340
  967   2HB   GLU 252          HB3       GLU 252  24.603  17.328  -4.637
  968   1HG   GLU 252          HG2       GLU 252  25.293  19.062  -3.071
  969   2HG   GLU 252          HG3       GLU 252  27.007  18.784  -3.435
  970    H    ASP 253           H        ASP 253  23.863  17.477  -2.733
  971    HA   ASP 253           HA       ASP 253  24.274  17.142   0.067
  972   1HB   ASP 253          HB2       ASP 253  23.441  19.166  -1.269
  973   2HB   ASP 253          HB3       ASP 253  21.854  18.412  -1.240
  974    H    GLU 254           H        GLU 254  24.066  14.712  -0.488
  975    HA   GLU 254           HA       GLU 254  23.225  12.690   0.145
  976   1HB   GLU 254          HB2       GLU 254  21.963  14.488   2.249
  977   2HB   GLU 254          HB3       GLU 254  22.103  12.731   2.382
  978   1HG   GLU 254          HG2       GLU 254  24.402  14.706   2.190
  979   2HG   GLU 254          HG3       GLU 254  23.937  13.741   3.591
  980    H    ASP 255           H        ASP 255  21.028  14.426  -1.507
  981    HA   ASP 255           HA       ASP 255  18.727  12.818  -0.915
  982   1HB   ASP 255          HB2       ASP 255  18.715  15.188  -1.786
  983   2HB   ASP 255          HB3       ASP 255  19.074  14.526  -3.393
  984    H    TYR 256           H        TYR 256  20.094  10.743  -1.121
  985    HA   TYR 256           HA       TYR 256  20.498   9.612  -3.715
  986   1HB   TYR 256          HB2       TYR 256  20.576   7.453  -2.705
  987   2HB   TYR 256          HB3       TYR 256  21.495   8.608  -1.776
  988    HD1  TYR 256           HD1      TYR 256  21.279   8.598   0.575
  989    HD2  TYR 256           HD2      TYR 256  18.146   6.881  -1.842
  990    HE1  TYR 256           HE1      TYR 256  20.214   7.652   2.622
  991    HE2  TYR 256           HE2      TYR 256  17.056   5.992   0.200
  992    HH   TYR 256           HH       TYR 256  18.493   6.307   3.473
  993    H    ILE 257           H        ILE 257  19.283   8.516  -5.152
  994    HA   ILE 257           HA       ILE 257  16.331   8.874  -4.895
  995    HB   ILE 257           HB       ILE 257  18.042   8.721  -7.410
  996   1HG1  ILE 257          HG13      ILE 257  16.796  11.126  -5.990
  997   2HG1  ILE 257          HG12      ILE 257  18.518  10.780  -6.166
  998   1HG2  ILE 257          HG21      ILE 257  15.084   9.430  -7.083
  999   2HG2  ILE 257          HG22      ILE 257  15.998   9.440  -8.603
 1000   3HG2  ILE 257          HG23      ILE 257  15.719   7.924  -7.793
 1001   1HD1  ILE 257          HD11      ILE 257  17.998  12.490  -7.714
 1002   2HD1  ILE 257          HD12      ILE 257  18.290  11.010  -8.650
 1003   3HD1  ILE 257          HD13      ILE 257  16.626  11.600  -8.384
 1004    H    VAL 258           H        VAL 258  14.922   7.134  -5.507
 1005    HA   VAL 258           HA       VAL 258  16.139   4.501  -6.103
 1006    HB   VAL 258           HB       VAL 258  14.046   4.951  -3.930
 1007   1HG1  VAL 258          HG11      VAL 258  15.625   2.469  -4.711
 1008   2HG1  VAL 258          HG12      VAL 258  14.505   2.600  -3.344
 1009   3HG1  VAL 258          HG13      VAL 258  13.898   2.740  -4.999
 1010   1HG2  VAL 258          HG21      VAL 258  15.777   4.296  -2.278
 1011   2HG2  VAL 258          HG22      VAL 258  17.011   4.354  -3.552
 1012   3HG2  VAL 258          HG23      VAL 258  16.162   5.829  -3.055
 1013    H    ASP 259           H        ASP 259  14.978   3.422  -7.607
 1014    HA   ASP 259           HA       ASP 259  12.496   4.469  -8.757
 1015   1HB   ASP 259          HB2       ASP 259  13.341   3.412 -10.521
 1016   2HB   ASP 259          HB3       ASP 259  14.577   2.630  -9.563
 1017    H    HIS 260           H        HIS 260  10.546   4.071  -7.920
 1018    HA   HIS 260           HA       HIS 260  10.138   1.586  -6.312
 1019   1HB   HIS 260          HB2       HIS 260   8.061   2.471  -5.578
 1020   2HB   HIS 260          HB3       HIS 260   9.411   3.468  -5.100
 1021    HD1  HIS 260           HD1      HIS 260   6.076   3.826  -6.336
 1022    HD2  HIS 260           HD2      HIS 260   9.776   5.774  -6.724
 1023    HE1  HIS 260           HE1      HIS 260   5.465   6.246  -6.811
 1024    H    THR 261           H        THR 261  10.358   0.237  -8.084
 1025    HA   THR 261           HA       THR 261   8.976   0.382 -10.500
 1026    HB   THR 261           HB       THR 261  10.304  -1.761  -8.934
 1027    HG1  THR 261           HG1      THR 261  11.163  -0.228 -10.548
 1028   1HG2  THR 261          HG21      THR 261   9.790  -3.446 -10.689
 1029   2HG2  THR 261          HG22      THR 261   8.394  -3.081  -9.665
 1030   3HG2  THR 261          HG23      THR 261   8.500  -2.394 -11.310
 1031    H    ILE 262           H        ILE 262   7.053  -0.104 -11.232
 1032    HA   ILE 262           HA       ILE 262   5.329   0.827  -9.144
 1033    HB   ILE 262           HB       ILE 262   4.634   0.769 -12.086
 1034   1HG1  ILE 262          HG12      ILE 262   6.458   2.801 -10.736
 1035   2HG1  ILE 262          HG13      ILE 262   6.986   1.618 -11.917
 1036   1HG2  ILE 262          HG21      ILE 262   4.095   2.725  -9.786
 1037   2HG2  ILE 262          HG22      ILE 262   3.423   2.851 -11.420
 1038   3HG2  ILE 262          HG23      ILE 262   2.949   1.510 -10.382
 1039   1HD1  ILE 262          HD11      ILE 262   5.021   3.833 -12.574
 1040   2HD1  ILE 262          HD12      ILE 262   6.748   3.803 -12.938
 1041   3HD1  ILE 262          HD13      ILE 262   5.680   2.606 -13.679
 1042    H    ILE 263           H        ILE 263   4.974  -1.158  -8.070
 1043    HA   ILE 263           HA       ILE 263   2.817  -2.901  -9.218
 1044    HB   ILE 263           HB       ILE 263   5.044  -3.594  -7.254
 1045   1HG1  ILE 263          HG12      ILE 263   4.739  -4.456 -10.171
 1046   2HG1  ILE 263          HG13      ILE 263   5.875  -3.238  -9.603
 1047   1HG2  ILE 263          HG21      ILE 263   4.268  -5.944  -7.513
 1048   2HG2  ILE 263          HG22      ILE 263   2.993  -4.944  -6.867
 1049   3HG2  ILE 263          HG23      ILE 263   2.960  -5.398  -8.584
 1050   1HD1  ILE 263          HD11      ILE 263   5.971  -6.189  -8.908
 1051   2HD1  ILE 263          HD12      ILE 263   7.084  -5.265  -9.920
 1052   3HD1  ILE 263          HD13      ILE 263   7.010  -4.935  -8.180
 1053    H    MET 264           H        MET 264   1.087  -3.426  -7.976
 1054    HA   MET 264           HA       MET 264   0.763  -2.163  -5.291
 1055   1HB   MET 264          HB2       MET 264   0.127  -0.601  -7.061
 1056   2HB   MET 264          HB3       MET 264  -0.910  -1.812  -7.790
 1057   1HG   MET 264          HG2       MET 264  -2.412  -1.725  -5.838
 1058   2HG   MET 264          HG3       MET 264  -1.366  -0.485  -5.111
 1059   1HE   MET 264          HE1       MET 264  -4.394  -1.118  -7.328
 1060   2HE   MET 264          HE2       MET 264  -4.533  -0.109  -5.867
 1061   3HE   MET 264          HE3       MET 264  -4.866   0.598  -7.462
 1062    H    TYR 265           H        TYR 265  -0.095  -3.558  -3.886
 1063    HA   TYR 265           HA       TYR 265  -0.993  -6.217  -4.906
 1064   1HB   TYR 265          HB2       TYR 265   0.048  -5.295  -2.200
 1065   2HB   TYR 265          HB3       TYR 265  -0.440  -6.935  -2.579
 1066    HD1  TYR 265           HD1      TYR 265   2.022  -4.262  -3.565
 1067    HD2  TYR 265           HD2      TYR 265   1.117  -8.475  -3.479
 1068    HE1  TYR 265           HE1      TYR 265   4.327  -4.773  -4.337
 1069    HE2  TYR 265           HE2      TYR 265   3.434  -8.986  -4.220
 1070    HH   TYR 265           HH       TYR 265   5.500  -8.133  -4.713
 1071    H    LEU 266           H        LEU 266  -3.016  -7.048  -4.542
 1072    HA   LEU 266           HA       LEU 266  -4.924  -5.524  -2.819
 1073   1HB   LEU 266          HB2       LEU 266  -5.526  -6.053  -5.212
 1074   2HB   LEU 266          HB3       LEU 266  -5.418  -7.761  -4.810
 1075    HG   LEU 266           HG       LEU 266  -7.253  -7.440  -3.104
 1076   1HD1  LEU 266          HD11      LEU 266  -7.583  -4.716  -4.439
 1077   2HD1  LEU 266          HD12      LEU 266  -8.696  -5.454  -3.274
 1078   3HD1  LEU 266          HD13      LEU 266  -7.075  -4.990  -2.761
 1079   1HD2  LEU 266          HD21      LEU 266  -7.733  -8.361  -5.328
 1080   2HD2  LEU 266          HD22      LEU 266  -9.070  -7.353  -4.767
 1081   3HD2  LEU 266          HD23      LEU 266  -7.945  -6.730  -5.987
 1082    H    ILE 267           H        ILE 267  -5.487  -6.255  -0.931
 1083    HA   ILE 267           HA       ILE 267  -5.061  -9.113  -0.157
 1084    HB   ILE 267           HB       ILE 267  -4.518  -6.703   1.624
 1085   1HG1  ILE 267          HG12      ILE 267  -2.112  -7.913   1.581
 1086   2HG1  ILE 267          HG13      ILE 267  -2.629  -8.381  -0.032
 1087   1HG2  ILE 267          HG21      ILE 267  -5.320  -8.655   2.872
 1088   2HG2  ILE 267          HG22      ILE 267  -4.068  -9.664   2.108
 1089   3HG2  ILE 267          HG23      ILE 267  -3.624  -8.352   3.215
 1090   1HD1  ILE 267          HD11      ILE 267  -2.456  -5.532   1.072
 1091   2HD1  ILE 267          HD12      ILE 267  -1.281  -6.302  -0.011
 1092   3HD1  ILE 267          HD13      ILE 267  -2.916  -5.945  -0.586
 1093    H    GLY 268           H        GLY 268  -6.749 -10.031   0.880
 1094   1HA   GLY 268          HA1       GLY 268  -9.221  -8.386   1.356
 1095   2HA   GLY 268          HA2       GLY 268  -9.157 -10.137   1.068
 1096    HA   PRO 269           HA       PRO 269  -9.367  -9.500   5.732
 1097   1HB   PRO 269          HB2       PRO 269 -11.774 -10.777   6.111
 1098   2HB   PRO 269          HB3       PRO 269 -11.601  -9.011   5.864
 1099   1HG   PRO 269          HG2       PRO 269 -12.282 -11.125   3.808
 1100   2HG   PRO 269          HG3       PRO 269 -13.087  -9.548   4.081
 1101   1HD   PRO 269          HD2       PRO 269 -11.231  -9.867   2.124
 1102   2HD   PRO 269          HD3       PRO 269 -11.302  -8.358   3.085
 1103    H    ASP 270           H        ASP 270  -9.426 -11.458   7.195
 1104    HA   ASP 270           HA       ASP 270  -8.187 -13.192   7.864
 1105   1HB   ASP 270          HB2       ASP 270  -8.758 -14.431   5.145
 1106   2HB   ASP 270          HB3       ASP 270  -7.731 -15.156   6.355
 1107    H    GLY 271           H        GLY 271  -7.254 -11.416   5.070
 1108   1HA   GLY 271          HA1       GLY 271  -5.321 -10.108   5.072
 1109   2HA   GLY 271          HA2       GLY 271  -4.507 -11.270   6.155
 1110    H    GLU 272           H        GLU 272  -6.038 -12.514   3.277
 1111    HA   GLU 272           HA       GLU 272  -3.335 -13.225   2.285
 1112   1HB   GLU 272          HB2       GLU 272  -5.410 -14.866   2.786
 1113   2HB   GLU 272          HB3       GLU 272  -5.812 -14.448   1.128
 1114   1HG   GLU 272          HG2       GLU 272  -4.541 -16.384   0.889
 1115   2HG   GLU 272          HG3       GLU 272  -3.323 -15.146   0.593
 1116    H    PHE 273           H        PHE 273  -2.851 -13.257   0.039
 1117    HA   PHE 273           HA       PHE 273  -3.468 -10.834  -1.391
 1118   1HB   PHE 273          HB2       PHE 273  -1.243 -11.817  -1.359
 1119   2HB   PHE 273          HB3       PHE 273  -1.852 -13.343  -1.975
 1120    HD1  PHE 273           HD1      PHE 273  -0.723  -9.982  -2.886
 1121    HD2  PHE 273           HD2      PHE 273  -2.615 -13.573  -4.341
 1122    HE1  PHE 273           HE1      PHE 273  -0.242  -9.300  -5.235
 1123    HE2  PHE 273           HE2      PHE 273  -2.166 -12.865  -6.676
 1124    HZ   PHE 273           HZ       PHE 273  -0.960 -10.750  -7.118
 1125    H    LEU 274           H        LEU 274  -4.593 -10.509  -3.272
 1126    HA   LEU 274           HA       LEU 274  -6.207 -12.768  -4.435
 1127   1HB   LEU 274          HB2       LEU 274  -7.056  -9.921  -3.778
 1128   2HB   LEU 274          HB3       LEU 274  -8.060 -11.098  -4.617
 1129    HG   LEU 274           HG       LEU 274  -7.074 -11.363  -1.738
 1130   1HD1  LEU 274          HD11      LEU 274  -8.695  -9.540  -1.991
 1131   2HD1  LEU 274          HD12      LEU 274  -9.809 -10.621  -2.859
 1132   3HD1  LEU 274          HD13      LEU 274  -9.436 -10.912  -1.148
 1133   1HD2  LEU 274          HD21      LEU 274  -7.487 -13.585  -2.811
 1134   2HD2  LEU 274          HD22      LEU 274  -8.661 -13.209  -1.553
 1135   3HD2  LEU 274          HD23      LEU 274  -9.117 -13.044  -3.267
 1136    H    ASP 275           H        ASP 275  -4.487  -9.737  -5.178
 1137    HA   ASP 275           HA       ASP 275  -4.510 -10.314  -8.044
 1138   1HB   ASP 275          HB2       ASP 275  -6.715  -9.056  -7.337
 1139   2HB   ASP 275          HB3       ASP 275  -5.681  -7.654  -7.157
 1140    H    TYR 276           H        TYR 276  -2.994  -8.981  -9.168
 1141    HA   TYR 276           HA       TYR 276  -1.515  -7.004  -7.539
 1142   1HB   TYR 276          HB2       TYR 276   0.554  -7.352  -8.469
 1143   2HB   TYR 276          HB3       TYR 276   0.021  -8.896  -7.872
 1144    HD1  TYR 276           HD1      TYR 276   1.218  -7.018 -10.705
 1145    HD2  TYR 276           HD2      TYR 276  -0.777 -10.673  -9.583
 1146    HE1  TYR 276           HE1      TYR 276   1.918  -8.049 -12.849
 1147    HE2  TYR 276           HE2      TYR 276  -0.094 -11.706 -11.750
 1148    HH   TYR 276           HH       TYR 276   1.920  -9.932 -14.127
 1149    H    PHE 277           H        PHE 277  -1.850  -5.159  -8.151
 1150    HA   PHE 277           HA       PHE 277  -2.518  -4.324 -10.920
 1151   1HB   PHE 277          HB2       PHE 277  -2.892  -2.909  -8.250
 1152   2HB   PHE 277          HB3       PHE 277  -3.401  -2.286  -9.811
 1153    HD1  PHE 277           HD1      PHE 277  -4.509  -3.935  -6.926
 1154    HD2  PHE 277           HD2      PHE 277  -5.011  -3.897 -11.191
 1155    HE1  PHE 277           HE1      PHE 277  -6.775  -4.922  -6.675
 1156    HE2  PHE 277           HE2      PHE 277  -7.232  -5.029 -10.942
 1157    HZ   PHE 277           HZ       PHE 277  -8.117  -5.486  -8.659
 1158    H    GLY 278           H        GLY 278  -1.778  -1.702 -10.569
 1159   1HA   GLY 278          HA1       GLY 278   0.390  -0.427 -10.273
 1160   2HA   GLY 278          HA2       GLY 278   1.164  -1.896 -10.921
 1161    H    GLN 279           H        GLN 279   1.820  -0.282 -12.522
 1162    HA   GLN 279           HA       GLN 279   0.363   1.257 -14.138
 1163   1HB   GLN 279          HB2       GLN 279   2.773  -0.456 -14.829
 1164   2HB   GLN 279          HB3       GLN 279   2.067   0.593 -16.051
 1165   1HG   GLN 279          HG2       GLN 279   3.004   1.599 -13.356
 1166   2HG   GLN 279          HG3       GLN 279   3.994   1.585 -14.818
 1167   1HE2  GLN 279          HE21      GLN 279   1.525   3.266 -13.072
 1168   2HE2  GLN 279          HE22      GLN 279   1.323   4.599 -14.196
 1169    H    ASN 280           H        ASN 280  -0.686   1.295 -15.995
 1170    HA   ASN 280           HA       ASN 280  -1.495   0.793 -18.015
 1171   1HB   ASN 280          HB2       ASN 280   0.353  -0.899 -18.225
 1172   2HB   ASN 280          HB3       ASN 280  -0.775  -2.138 -17.663
 1173   1HD2  ASN 280          HD21      ASN 280   0.243  -0.292 -20.421
 1174   2HD2  ASN 280          HD22      ASN 280  -0.935  -1.000 -21.521
 1175    H    LYS 281           H        LYS 281  -2.595  -1.385 -15.365
 1176    HA   LYS 281           HA       LYS 281  -5.172  -1.958 -16.670
 1177   1HB   LYS 281          HB2       LYS 281  -4.474  -2.046 -13.702
 1178   2HB   LYS 281          HB3       LYS 281  -5.988  -2.573 -14.447
 1179   1HG   LYS 281          HG2       LYS 281  -4.495  -4.159 -15.889
 1180   2HG   LYS 281          HG3       LYS 281  -3.243  -3.830 -14.690
 1181   1HD   LYS 281          HD2       LYS 281  -5.638  -4.488 -13.228
 1182   2HD   LYS 281          HD3       LYS 281  -5.552  -5.625 -14.565
 1183   1HE   LYS 281          HE2       LYS 281  -3.234  -6.245 -13.908
 1184   2HE   LYS 281          HE3       LYS 281  -3.288  -5.082 -12.592
 1185   1HZ   LYS 281          HZ1       LYS 281  -5.101  -6.426 -11.572
 1186   2HZ   LYS 281          HZ2       LYS 281  -4.982  -7.524 -12.781
 1187   3HZ   LYS 281          HZ3       LYS 281  -3.754  -7.239 -11.729
 1188    H    ARG 282           H        ARG 282  -6.777  -0.539 -17.071
 1189    HA   ARG 282           HA       ARG 282  -6.495   2.221 -16.144
 1190   1HB   ARG 282          HB2       ARG 282  -8.711   0.864 -17.731
 1191   2HB   ARG 282          HB3       ARG 282  -8.669   2.563 -17.318
 1192   1HG   ARG 282          HG2       ARG 282  -7.632   2.918 -19.225
 1193   2HG   ARG 282          HG3       ARG 282  -6.171   2.309 -18.472
 1194   1HD   ARG 282          HD2       ARG 282  -8.135   0.513 -19.962
 1195   2HD   ARG 282          HD3       ARG 282  -6.904   1.438 -20.798
 1196    HE   ARG 282           HE       ARG 282  -5.277   0.187 -19.120
 1197   1HH1  ARG 282          HH22      ARG 282  -8.101  -1.483 -20.254
 1198   2HH1  ARG 282          HH21      ARG 282  -7.224  -2.818 -20.889
 1199   1HH2  ARG 282          HH12      ARG 282  -4.169  -1.679 -19.746
 1200   2HH2  ARG 282          HH11      ARG 282  -5.055  -2.984 -20.463
 1201    H    LYS 283           H        LYS 283  -8.117   3.392 -14.916
 1202    HA   LYS 283           HA       LYS 283  -8.322   2.420 -12.359
 1203   1HB   LYS 283          HB2       LYS 283  -8.449   4.760 -13.101
 1204   2HB   LYS 283          HB3       LYS 283 -10.068   4.519 -13.744
 1205   1HG   LYS 283          HG2       LYS 283  -9.391   4.065 -10.811
 1206   2HG   LYS 283          HG3       LYS 283  -9.740   5.658 -11.463
 1207   1HD   LYS 283          HD2       LYS 283 -11.979   4.765 -12.288
 1208   2HD   LYS 283          HD3       LYS 283 -11.668   3.302 -11.303
 1209   1HE   LYS 283          HE2       LYS 283 -11.221   4.913  -9.388
 1210   2HE   LYS 283          HE3       LYS 283 -11.889   6.180 -10.434
 1211   1HZ   LYS 283          HZ1       LYS 283 -13.398   3.759  -9.532
 1212   2HZ   LYS 283          HZ2       LYS 283 -13.526   5.226  -8.877
 1213   3HZ   LYS 283          HZ3       LYS 283 -14.029   4.925 -10.414
 1214    H    GLY 284           H        GLY 284 -11.059   2.349 -14.714
 1215   1HA   GLY 284          HA1       GLY 284 -12.872   1.131 -12.894
 1216   2HA   GLY 284          HA2       GLY 284 -13.062   1.180 -14.662
 1217    H    GLU 285           H        GLU 285 -10.331  -0.382 -14.808
 1218    HA   GLU 285           HA       GLU 285 -11.488  -3.066 -14.770
 1219   1HB   GLU 285          HB2       GLU 285  -8.676  -2.050 -15.246
 1220   2HB   GLU 285          HB3       GLU 285  -9.154  -3.733 -15.421
 1221   1HG   GLU 285          HG2       GLU 285 -10.385  -3.387 -17.342
 1222   2HG   GLU 285          HG3       GLU 285 -10.788  -1.721 -16.948
 1223    H    ILE 286           H        ILE 286  -9.521  -1.098 -12.602
 1224    HA   ILE 286           HA       ILE 286  -8.719  -3.241 -10.796
 1225    HB   ILE 286           HB       ILE 286  -9.109  -0.272 -10.232
 1226   1HG1  ILE 286          HG12      ILE 286  -6.605  -1.748 -11.166
 1227   2HG1  ILE 286          HG13      ILE 286  -7.538  -0.589 -12.110
 1228   1HG2  ILE 286          HG21      ILE 286  -7.363  -2.262  -8.740
 1229   2HG2  ILE 286          HG22      ILE 286  -7.649  -0.563  -8.322
 1230   3HG2  ILE 286          HG23      ILE 286  -8.961  -1.720  -8.194
 1231   1HD1  ILE 286          HD11      ILE 286  -5.850   0.016  -9.672
 1232   2HD1  ILE 286          HD12      ILE 286  -5.631   0.570 -11.339
 1233   3HD1  ILE 286          HD13      ILE 286  -7.009   1.167 -10.385
 1234    H    ALA 287           H        ALA 287 -11.463  -0.928 -10.809
 1235    HA   ALA 287           HA       ALA 287 -12.925  -2.174  -8.694
 1236   1HB   ALA 287          HB1       ALA 287 -13.935  -0.580 -11.095
 1237   2HB   ALA 287          HB2       ALA 287 -14.831  -0.927  -9.609
 1238   3HB   ALA 287          HB3       ALA 287 -13.399   0.102  -9.543
 1239    H    ALA 288           H        ALA 288 -12.811  -3.010 -12.216
 1240    HA   ALA 288           HA       ALA 288 -14.889  -4.974 -12.052
 1241   1HB   ALA 288          HB1       ALA 288 -12.550  -4.890 -13.999
 1242   2HB   ALA 288          HB2       ALA 288 -14.121  -5.669 -14.236
 1243   3HB   ALA 288          HB3       ALA 288 -14.025  -3.900 -14.151
 1244    H    SER 289           H        SER 289 -11.312  -5.343 -11.595
 1245    HA   SER 289           HA       SER 289 -11.399  -8.142 -10.878
 1246   1HB   SER 289          HB2       SER 289  -9.560  -5.839 -10.330
 1247   2HB   SER 289          HB3       SER 289  -9.469  -7.254  -9.267
 1248    HG   SER 289           HG       SER 289  -8.227  -7.989 -10.706
 1249    H    ILE 290           H        ILE 290 -11.595  -5.207  -8.743
 1250    HA   ILE 290           HA       ILE 290 -11.997  -6.731  -6.351
 1251    HB   ILE 290           HB       ILE 290 -12.674  -3.852  -7.043
 1252   1HG1  ILE 290          HG12      ILE 290 -10.418  -4.961  -5.301
 1253   2HG1  ILE 290          HG13      ILE 290 -10.218  -4.713  -7.028
 1254   1HG2  ILE 290          HG21      ILE 290 -12.725  -5.236  -4.318
 1255   2HG2  ILE 290          HG22      ILE 290 -12.777  -3.482  -4.549
 1256   3HG2  ILE 290          HG23      ILE 290 -14.098  -4.470  -5.150
 1257   1HD1  ILE 290          HD11      ILE 290  -9.314  -2.810  -5.894
 1258   2HD1  ILE 290          HD12      ILE 290 -10.782  -2.302  -6.758
 1259   3HD1  ILE 290          HD13      ILE 290 -10.817  -2.534  -5.000
 1260    H    ALA 291           H        ALA 291 -14.493  -5.465  -8.612
 1261    HA   ALA 291           HA       ALA 291 -16.729  -6.417  -7.067
 1262   1HB   ALA 291          HB1       ALA 291 -16.908  -4.727  -8.871
 1263   2HB   ALA 291          HB2       ALA 291 -16.406  -5.938 -10.070
 1264   3HB   ALA 291          HB3       ALA 291 -17.953  -6.121  -9.212
 1265    H    THR 292           H        THR 292 -14.477  -8.107  -9.153
 1266    HA   THR 292           HA       THR 292 -16.136 -10.519  -9.328
 1267    HB   THR 292           HB       THR 292 -13.217 -10.031 -10.065
 1268    HG1  THR 292           HG1      THR 292 -14.432  -8.949 -11.455
 1269   1HG2  THR 292          HG21      THR 292 -13.564 -12.421  -9.666
 1270   2HG2  THR 292          HG22      THR 292 -15.050 -12.401 -10.644
 1271   3HG2  THR 292          HG23      THR 292 -13.471 -12.105 -11.403
 1272    H    HIS 293           H        HIS 293 -13.240  -9.498  -7.503
 1273    HA   HIS 293           HA       HIS 293 -13.130 -11.786  -5.797
 1274   1HB   HIS 293          HB2       HIS 293 -12.160  -8.934  -5.385
 1275   2HB   HIS 293          HB3       HIS 293 -11.714 -10.325  -4.389
 1276    HD2  HIS 293           HD2      HIS 293 -10.168  -8.382  -6.938
 1277    HE1  HIS 293           HE1      HIS 293  -8.667 -12.286  -7.663
 1278    HE2  HIS 293           HE2      HIS 293  -8.317  -9.816  -8.136
 1279    H    MET 294           H        MET 294 -15.134  -8.860  -5.561
 1280    HA   MET 294           HA       MET 294 -16.205  -9.332  -2.949
 1281   1HB   MET 294          HB2       MET 294 -16.853  -7.651  -5.262
 1282   2HB   MET 294          HB3       MET 294 -18.313  -8.260  -4.512
 1283   1HG   MET 294          HG2       MET 294 -16.058  -6.819  -3.073
 1284   2HG   MET 294          HG3       MET 294 -17.574  -6.094  -3.578
 1285   1HE   MET 294          HE1       MET 294 -19.843  -6.890  -2.877
 1286   2HE   MET 294          HE2       MET 294 -20.236  -7.334  -1.204
 1287   3HE   MET 294          HE3       MET 294 -19.842  -8.599  -2.391
 1288    H    ARG 295           H        ARG 295 -16.642 -11.285  -5.761
 1289    HA   ARG 295           HA       ARG 295 -19.066 -12.571  -4.791
 1290   1HB   ARG 295          HB2       ARG 295 -17.060 -13.576  -6.831
 1291   2HB   ARG 295          HB3       ARG 295 -18.599 -14.330  -6.429
 1292   1HG   ARG 295          HG2       ARG 295 -19.816 -12.319  -7.164
 1293   2HG   ARG 295          HG3       ARG 295 -18.290 -11.490  -7.523
 1294   1HD   ARG 295          HD2       ARG 295 -17.733 -13.169  -9.223
 1295   2HD   ARG 295          HD3       ARG 295 -19.202 -14.071  -8.846
 1296    HE   ARG 295           HE       ARG 295 -20.556 -12.290  -9.725
 1297   1HH1  ARG 295          HH22      ARG 295 -17.139 -11.848 -10.514
 1298   2HH1  ARG 295          HH21      ARG 295 -17.461 -10.717 -11.779
 1299   1HH2  ARG 295          HH12      ARG 295 -20.935 -10.851 -11.394
 1300   2HH2  ARG 295          HH11      ARG 295 -19.604 -10.201 -12.301
 1301    HA   PRO 296           HA       PRO 296 -16.390 -15.874  -2.699
 1302   1HB   PRO 296          HB2       PRO 296 -13.644 -15.698  -2.516
 1303   2HB   PRO 296          HB3       PRO 296 -14.525 -16.513  -3.839
 1304   1HG   PRO 296          HG2       PRO 296 -13.404 -13.696  -3.824
 1305   2HG   PRO 296          HG3       PRO 296 -13.241 -14.950  -5.090
 1306   1HD   PRO 296          HD2       PRO 296 -15.114 -13.017  -5.292
 1307   2HD   PRO 296          HD3       PRO 296 -15.479 -14.694  -5.766
 1308    H    TYR 297           H        TYR 297 -14.398 -12.852  -2.218
 1309    HA   TYR 297           HA       TYR 297 -14.474 -13.213   0.701
 1310   1HB   TYR 297          HB2       TYR 297 -12.906 -11.460  -1.205
 1311   2HB   TYR 297          HB3       TYR 297 -12.909 -11.156   0.525
 1312    HD1  TYR 297           HD1      TYR 297 -11.702 -12.500   2.084
 1313    HD2  TYR 297           HD2      TYR 297 -12.009 -13.708  -2.039
 1314    HE1  TYR 297           HE1      TYR 297 -10.042 -14.283   2.498
 1315    HE2  TYR 297           HE2      TYR 297 -10.368 -15.537  -1.621
 1316    HH   TYR 297           HH       TYR 297  -8.885 -16.027   1.593
 1317    H    ARG 298           H        ARG 298 -16.868 -12.643  -0.668
 1318    HA   ARG 298           HA       ARG 298 -17.926 -10.127  -0.768
 1319   1HB   ARG 298          HB3       ARG 298 -20.082 -11.209  -0.684
 1320   2HB   ARG 298          HB2       ARG 298 -18.947 -12.268  -1.508
 1321   1HG   ARG 298          HG3       ARG 298 -18.650 -13.274   0.969
 1322   2HG   ARG 298          HG2       ARG 298 -20.289 -12.633   1.137
 1323   1HD   ARG 298          HD2       ARG 298 -20.940 -13.949  -0.908
 1324   2HD   ARG 298          HD3       ARG 298 -19.299 -14.606  -0.976
 1325    HE   ARG 298           HE       ARG 298 -21.430 -15.448   0.758
 1326   1HH1  ARG 298          HH22      ARG 298 -17.862 -15.298   0.611
 1327   2HH1  ARG 298          HH21      ARG 298 -17.688 -16.371   1.952
 1328   1HH2  ARG 298          HH12      ARG 298 -21.100 -16.916   2.411
 1329   2HH2  ARG 298          HH11      ARG 298 -19.488 -17.347   2.893
 1330    H    LYS 299           H        LYS 299 -18.699  -8.623   0.540
 1331    HA   LYS 299           HA       LYS 299 -18.172  -8.439   3.303
 1332   1HB   LYS 299          HB2       LYS 299 -18.543  -6.574   1.826
 1333   2HB   LYS 299          HB3       LYS 299 -20.207  -7.025   1.535
 1334   1HG   LYS 299          HG2       LYS 299 -19.496  -6.566   4.412
 1335   2HG   LYS 299          HG3       LYS 299 -19.312  -5.151   3.379
 1336   1HD   LYS 299          HD2       LYS 299 -21.848  -6.799   3.512
 1337   2HD   LYS 299          HD3       LYS 299 -21.576  -5.338   4.469
 1338   1HE   LYS 299          HE2       LYS 299 -21.678  -3.917   2.613
 1339   2HE   LYS 299          HE3       LYS 299 -21.112  -5.158   1.508
 1340   1HZ   LYS 299          HZ1       LYS 299 -23.859  -5.044   2.584
 1341   2HZ   LYS 299          HZ2       LYS 299 -23.337  -4.779   1.036
 1342   3HZ   LYS 299          HZ3       LYS 299 -23.256  -6.272   1.660
 1343    H    LYS 300           H        LYS 300 -21.553  -8.932   2.057
 1344    HA   LYS 300           HA       LYS 300 -22.057 -11.008   4.107
 1345   1HB   LYS 300          HB2       LYS 300 -22.483  -8.823   5.116
 1346   2HB   LYS 300          HB3       LYS 300 -23.425  -8.293   3.727
 1347   1HG   LYS 300          HG2       LYS 300 -24.400 -10.748   5.037
 1348   2HG   LYS 300          HG3       LYS 300 -24.427  -9.312   6.051
 1349   1HD   LYS 300          HD2       LYS 300 -25.929  -8.146   4.721
 1350   2HD   LYS 300          HD3       LYS 300 -25.575  -9.059   3.262
 1351   1HE   LYS 300          HE3       LYS 300 -26.861 -10.413   5.649
 1352   2HE   LYS 300          HE2       LYS 300 -27.839  -9.466   4.515
 1353   1HZ   LYS 300          HZ1       LYS 300 -27.207 -10.870   2.743
 1354   2HZ   LYS 300          HZ2       LYS 300 -27.638 -11.891   3.960
 1355   3HZ   LYS 300          HZ3       LYS 300 -26.042 -11.626   3.597
 1356    H    SER 301           H        SER 301 -22.152 -10.288   0.946
 1357    HA   SER 301           HA       SER 301 -23.675  -9.642  -0.701
 1358   1HB   SER 301          HB2       SER 301 -25.532 -11.105  -0.300
 1359   2HB   SER 301          HB3       SER 301 -25.809 -10.423   1.314
 1360    HG   SER 301           HG       SER 301 -26.020  -8.373   0.210