*HEADER    METAL TRANSPORT                         27-APR-06   2GT6              
*TITLE     SOLUTION STRUCTURE OF HUMAN CU(I) 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 2GT6    0                                                


#
#   5 LYS+ HN      5 LYS+ QG      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,

      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2=  63,  64,
 &end
#
#   5 LYS+ HN      5 LYS+ QD      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  66,  67,
 &end
#
#   5 LYS+ HA      5 LYS+ QD      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=  66,  67,
 &end
#
#   5 LYS+ HA      5 LYS+ QE      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  69,  70,
 &end
#
#   5 LYS+ HB2     5 LYS+ QD      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=  66,  67,
 &end
#
#   5 LYS+ HB2     5 LYS+ QE      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=  69,  70,
 &end
#
#   5 LYS+ HB3     5 LYS+ QD      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=  66,  67,
 &end
#
#   5 LYS+ HB3     5 LYS+ QE      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=  69,  70,
 &end
#
#   5 LYS+ QB      5 LYS+ QD      3.55                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=  60,  61,
 igr2=  66,  67,
 &end
#
#   5 LYS+ QB      5 LYS+ QE      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=  60,  61,
 igr2=  69,  70,
 &end
#
#   7 LEU  HN      7 LEU  HG      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  99, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   7 LEU  HN      7 LEU  QD1     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2= 101, 102, 103,
 &end
#
#   7 LEU  HN      7 LEU  QD2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2= 105, 106, 107,
 &end
#
#   7 LEU  HN      7 LEU  QQD     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr2= 105, 106, 107, 101, 102, 103,
 &end
#
#   7 LEU  HN      8 LEU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 111, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   7 LEU  HA      7 LEU  HG      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  99, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   7 LEU  HA      7 LEU  QD1     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 101, 102, 103,
 &end
#
#   7 LEU  HA      7 LEU  QD2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 105, 106, 107,
 &end
#
#   7 LEU  HB2     8 LEU  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 111, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   7 LEU  HB3     8 LEU  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 111, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   7 LEU  QB      8 LEU  HN      4.83                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 111, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=  96,  97,
 &end
#
#   7 LEU  HG      8 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 111, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#   8 LEU  HN      8 LEU  HG      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 118, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   8 LEU  HN      8 LEU  QD1     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 120, 121, 122,
 &end
#
#   8 LEU  HN      8 LEU  QD2     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 124, 125, 126,
 &end
#
#   8 LEU  HN      8 LEU  QQD     5.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr2= 124, 125, 126, 120, 121, 122,
 &end
#
#   8 LEU  HA      8 LEU  QD1     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2= 120, 121, 122,
 &end
#
#   8 LEU  HA      8 LEU  QD2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2= 124, 125, 126,
 &end
#
#   8 LEU  HB2     9 GLY  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   8 LEU  HB3     9 GLY  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 130, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   8 LEU  HG      9 GLY  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 130, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   8 LEU  QD1     9 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 120, 121, 122,
 &end
#
#   8 LEU  QD2     9 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 124, 125, 126,
 &end
#
#   9 GLY  HN    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      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 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
#
#   9 GLY  QA    113 TYR  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1= 132, 133,
 igr2=1770,1775,
 &end
#
#  10 GLY  HN     11 PRO  QD      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr2= 145, 146,
 &end
#
#  10 GLY  HN    112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
#  10 GLY  HN    113 TYR  QE      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr2=1770,1775,
 &end
#
#  10 GLY  HN    113 TYR  HH      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,1773, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HA     24 ASP- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 PRO  HA     25 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  11 PRO  HA    108 GLN  QE2     7.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
 igr2=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  HG2    12 PHE  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 158, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  11 PRO  HG3    12 PHE  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 158, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  11 PRO  QG     12 PHE  HN      5.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 148, 149,
 &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   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
#
#  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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 178, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HN     23 THR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 337, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HN     23 THR  HB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 339, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  12 PHE  HN     23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  12 PHE  HN     24 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 349, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HN     24 ASP- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 351, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HN     25 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HA    108 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HA    108 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1696, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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  HA    109 VAL  HB      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1704, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  12 PHE  HA    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  12 PHE  QB     14 LEU  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 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     6.27                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
 igr1= 162, 163,
 igr2=1695,1696,
 &end
#
#  12 PHE  QB    109 VAL  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 162, 163,
 &end
#
#  12 PHE  QB    109 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
 igr1= 162, 163,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  12 PHE  QD     13 SER  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     13 SER  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     14 LEU  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 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  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     23 THR  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     24 ASP- HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 166, 174,
 &end
#
#  12 PHE  QD     36 PHE  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= 571, 575,
 &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  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     14 LEU  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     14 LEU  QQD    11.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
 igr1= 168, 172,
 igr2= 202, 203, 204, 198, 199, 200,
 &end
#
#  12 PHE  QE     23 THR  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     23 THR  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     24 ASP- HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     24 ASP- HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     25 LYS+ HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 168, 172,
 &end
#
#  12 PHE  QE     27 TYR  QD     10.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86,
 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     34 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= 534, 535, 536,
 &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     9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 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     13 SER  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 180, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HZ     22 LYS+ HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 315, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  12 PHE  HZ     24 ASP- HA      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 351, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &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  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 527, 528, 529,
 &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     7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 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      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 189, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  13 SER  HN     14 LEU  HG      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 196, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &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      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=1644,1645,
 &end
#
#  13 SER  HN    108 GLN  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1687, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  13 SER  HN    108 GLN  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1688, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  13 SER  HN    108 GLN  HG2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1690, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  13 SER  HN    108 GLN  HG3     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1691, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &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      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 337, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  13 SER  HA     23 THR  QG2     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 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      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 189, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &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      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 189, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  13 SER  HB3    23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  14 LEU  HN     14 LEU  HG      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 196, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  14 LEU  HN     14 LEU  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 198, 199, 200,
 &end
#
#  14 LEU  HN     14 LEU  QD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 202, 203, 204,
 &end
#
#  14 LEU  HN     14 LEU  QQD     6.62                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 8.92, r4= 9.42,
 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  14 LEU  HN     23 THR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 337, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  14 LEU  HN     23 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 339, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  14 LEU  HN     23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  14 LEU  HA     14 LEU  QD1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 198, 199, 200,
 &end
#
#  14 LEU  HA     14 LEU  QD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 202, 203, 204,
 &end
#
#  14 LEU  HA    100 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 191,1566, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  14 LEU  HB2    15 THR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 208, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  14 LEU  HB3    15 THR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  14 LEU  QB     15 THR  HN      5.63                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 193, 194,
 &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  QB    109 VAL  QQG     8.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.53, r4=14.03,
 igr1= 193, 194,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  14 LEU  HG     15 THR  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 208, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  14 LEU  HG    100 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 196,1566, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  14 LEU  QD1    15 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 198, 199, 200,
 &end
#
#  14 LEU  QD1    99 LEU  HB2    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  QD1   109 VAL  QG1    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
 igr1= 198, 199, 200,
 igr2=1706,1707,1708,
 &end
#
#  14 LEU  QD1   109 VAL  QG2    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
 igr1= 198, 199, 200,
 igr2=1710,1711,1712,
 &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  QD2   109 VAL  QG1    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
 igr1= 202, 203, 204,
 igr2=1706,1707,1708,
 &end
#
#  14 LEU  QD2   109 VAL  QG2    11.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
 igr1= 202, 203, 204,
 igr2=1710,1711,1712,
 &end
#
#  14 LEU  QQD    36 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= 202, 203, 204, 198, 199, 200,
 igr2= 569, 577,
 &end
#
#  14 LEU  QQD    36 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= 202, 203, 204, 198, 199, 200,
 igr2= 571, 575,
 &end
#
#  14 LEU  QQD    73 ILE  HB      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD    73 ILE  QD1     9.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.33, r4=15.83,
 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      9.03                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.66, r4=14.16,
 igr1= 202, 203, 204, 198, 199, 200,
 igr2=1551,1552,
 &end
#
#  14 LEU  QQD    99 LEU  HG      8.67                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1554, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   100 THR  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   100 THR  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, 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   105 GLU- HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1642, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 202, 203, 204, 198, 199, 200,
 &end
#
#  14 LEU  QQD   106 VAL  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1657, 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     9.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=17.81, r4=18.31,
 igr1= 202, 203, 204, 198, 199, 200,
 igr2=1706,1707,1708,1710,1711,1712,
 &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,1566, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HN    100 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,1570, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HN    100 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1572,1573,1574,
 &end
#
#  15 THR  HA     21 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 289, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HA     21 ARG+ HA      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 291, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &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+ QG      6.39                
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2= 296, 297,
 &end
#
#  15 THR  HA     21 ARG+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 299, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HA     21 ARG+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 300, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HA     21 ARG+ QD      6.39                
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2= 299, 300,
 &end
#
#  15 THR  HA     22 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HA     99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  15 THR  HA    100 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 210,1566, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HB     16 THR  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 222, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &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      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 313, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  15 THR  HB     82 LYS+ QG      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 212,1566, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 THR  HB    100 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1572,1573,1574,
 &end
#
#  15 THR  QG2    16 THR  HN      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    19 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    19 GLY  HA2     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    19 GLY  HA3     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    19 GLY  QA      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.57, r4=10.07,
 igr1= 214, 215, 216,
 igr2= 269, 270,
 &end
#
#  15 THR  QG2    20 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 214, 215, 216,
 &end
#
#  15 THR  QG2    21 ARG+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 214, 215, 216,
 &end
#
#  16 THR  HN     16 THR  HG1     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  16 THR  HN     17 HIST HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 236, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &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      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 274, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  16 THR  HN     20 GLU- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 276, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HN     20 GLU- QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 278, 279,
 &end
#
#  16 THR  HN     21 ARG+ HA      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 291, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  16 THR  HN     21 ARG+ QG      7.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 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     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  16 THR  HA     18 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 253, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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     97 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  16 THR  HA     98 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HA     99 LEU  HA      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1549, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  16 THR  HA     99 LEU  HB2     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 THR  HA     99 LEU  HB3     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1552, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 THR  HA     99 LEU  QB      4.63                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1551,1552,
 &end
#
#  16 THR  HA     99 LEU  HG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1554, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HA     99 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=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      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 224,1566, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  16 THR  HB     17 HIST HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  16 THR  HB     18 THR  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 253, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  16 THR  HB     19 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HB     20 GLU- HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 274, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 226,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HB     99 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 226,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  16 THR  QG2    17 HIST HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    18 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    20 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 228, 229, 230,
 &end
#
#  16 THR  QG2    20 GLU- QG      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 228, 229, 230,
 igr2= 281, 282,
 &end
#
#  16 THR  QG2    22 LYS+ QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1= 228, 229, 230,
 igr2= 317, 318,
 &end
#
#  16 THR  QG2    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     6.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.28, r4=11.78,
 igr1= 228, 229, 230,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  16 THR  HG1    17 HIST HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HG1    18 THR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 253, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  16 THR  HG1    19 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  16 THR  HG1    20 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  16 THR  HG1    20 GLU- QG      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 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     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 249, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 253, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &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     9.06                
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3=12.21, r4=12.71,
 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 HA     17 HIST HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 249, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HA     82 LYS+ HA      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1276, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  17 HIST HA     82 LYS+ HB2     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1278, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  17 HIST HA     82 LYS+ HB3     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1279, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  17 HIST HA     82 LYS+ QG      6.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1281,1282,
 &end
#
#  17 HIST HA     82 LYS+ QD      6.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1284,1285,
 &end
#
#  17 HIST HA     86 ALA  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 238,1340, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 253, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1340, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  17 HIST HB2    86 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB2    86 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1344,1345,1346,
 &end
#
#  17 HIST HB2    89 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1391,1392,1393,
 &end
#
#  17 HIST HB2    89 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1395,1396,1397,
 &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1340, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  17 HIST HB3    86 ALA  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HB3    86 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1344,1345,1346,
 &end
#
#  17 HIST HB3    89 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1391,1392,1393,
 &end
#
#  17 HIST HB3    89 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1395,1396,1397,
 &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      6.39                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 240, 241,
 &end
#
#  17 HIST QB     19 GLY  HN      6.25                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 240, 241,
 &end
#
#  17 HIST QB     85 ILE  QG2     7.45                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.04, r4=10.54,
 igr1= 240, 241,
 igr2=1327,1328,1329,
 &end
#
#  17 HIST QB     86 ALA  HN      6.19                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1= 240, 241,
 &end
#
#  17 HIST QB     89 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= 240, 241,
 igr2=1391,1392,1393,1395,1396,1397,
 &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 253, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HD2    18 THR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 255, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HD2    82 LYS+ QG      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1281,1282,
 &end
#
#  17 HIST HD2    83 GLU- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1298, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HD2    85 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1327,1328,1329,
 &end
#
#  17 HIST HD2    86 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1340, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HD2    86 ALA  HA      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1342, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  17 HIST HD2    86 ALA  QB      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr2=1344,1345,1346,
 &end
#
#  17 HIST HD2    89 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1391,1392,1393,1395,1396,1397,
 &end
#
#  17 HIST HD2    97 VAL  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HD2    98 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 249,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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  HA      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1526, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  17 HIST HE1    97 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1528, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  17 HIST HE1    97 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1530,1531,1532,1534,1535,1536,
 &end
#
#  17 HIST HE1    98 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1540, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  18 THR  HN     19 GLY  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 THR  HN     19 GLY  HA2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 269, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  18 THR  HN     19 GLY  HA3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 270, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  18 THR  HN     19 GLY  QA      5.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 269, 270,
 &end
#
#  18 THR  HN     20 GLU- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 274, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  18 THR  HN     20 GLU- QB      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2= 278, 279,
 &end
#
#  18 THR  HN     20 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 281, 282,
 &end
#
#  18 THR  HN     97 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=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      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 267, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  18 THR  QG2    19 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 259, 260, 261,
 &end
#
#  18 THR  QG2    20 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 259, 260, 261,
 &end
#
#  18 THR  QG2    20 GLU- QG      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1= 259, 260, 261,
 igr2= 281, 282,
 &end
#
#  19 GLY  HN     20 GLU- HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &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      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2= 281, 282,
 &end
#
#  19 GLY  HN     82 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1287,1288,
 &end
#
#  19 GLY  HA2    82 LYS+ HG2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1281, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  19 GLY  HA2    82 LYS+ HG3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1282, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  19 GLY  HA2    82 LYS+ HD2     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1284, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  19 GLY  HA2    82 LYS+ HD3     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,1285, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  19 GLY  HA2    82 LYS+ QE      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr2=1287,1288,
 &end
#
#  19 GLY  HA3    82 LYS+ HG2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1281, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  19 GLY  HA3    82 LYS+ HG3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1282, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  19 GLY  HA3    82 LYS+ HD2     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1284, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  19 GLY  HA3    82 LYS+ HD3     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1285, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  19 GLY  HA3    82 LYS+ QE      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr2=1287,1288,
 &end
#
#  19 GLY  QA     82 LYS+ QG      6.71                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95,
 igr1= 269, 270,
 igr2=1281,1282,
 &end
#
#  19 GLY  QA     82 LYS+ QD      6.92                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
 igr1= 269, 270,
 igr2=1284,1285,
 &end
#
#  19 GLY  QA     82 LYS+ QE      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=1287,1288,
 &end
#
#  20 GLU- HN     20 GLU- QG      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 281, 282,
 &end
#
#  20 GLU- HN     21 ARG+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 289, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  20 GLU- HA     22 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  20 GLU- QG     21 ARG+ HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1= 281, 282,
 &end
#
#  21 ARG+ HN     21 ARG+ HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 296, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  21 ARG+ HN     21 ARG+ HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  21 ARG+ HN     21 ARG+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  21 ARG+ HN     21 ARG+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 300, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  21 ARG+ HN     22 LYS+ HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 313, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  21 ARG+ HA     21 ARG+ HD2     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  21 ARG+ HA     21 ARG+ HD3     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 300, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  21 ARG+ HG2    22 LYS+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  21 ARG+ HG3    22 LYS+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 313, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  21 ARG+ QG     22 LYS+ HN      5.03                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 296, 297,
 &end
#
#  21 ARG+ HD2    22 LYS+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 313, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 313, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  21 ARG+ HD3    23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  22 LYS+ HN     22 LYS+ HG2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  22 LYS+ HN     22 LYS+ HG3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  22 LYS+ HN     22 LYS+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 323, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HN     22 LYS+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 324, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HN     22 LYS+ QD      5.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 323, 324,
 &end
#
#  22 LYS+ HN     22 LYS+ HE2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 326, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HN     22 LYS+ HE3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HN     22 LYS+ QE      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2= 326, 327,
 &end
#
#  22 LYS+ HN     23 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 341, 342, 343,
 &end
#
#  22 LYS+ HN     27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  22 LYS+ HA     22 LYS+ HD2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 323, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  22 LYS+ HA     22 LYS+ HD3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 324, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  22 LYS+ HA     22 LYS+ QD      5.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 323, 324,
 &end
#
#  22 LYS+ HA     22 LYS+ HE2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 326, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  22 LYS+ HA     22 LYS+ HE3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 327, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  22 LYS+ HA     23 THR  QG2     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 341, 342, 343,
 &end
#
#  22 LYS+ HA     26 ASP- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 383, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  22 LYS+ HA     26 ASP- HB2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 387, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  22 LYS+ HA     26 ASP- HB3     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 388, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  22 LYS+ HA     26 ASP- QB      6.09                
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr2= 387, 388,
 &end
#
#  22 LYS+ HA     27 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 395, 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+ HE2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 326, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  22 LYS+ HB2    22 LYS+ HE3     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 327, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  22 LYS+ HB2    23 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 LYS+ HB2    27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  22 LYS+ HB3    22 LYS+ HE2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 326, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  22 LYS+ HB3    22 LYS+ HE3     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 327, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  22 LYS+ HB3    23 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 LYS+ HB3    27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  22 LYS+ QB     22 LYS+ QD      3.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 317, 318,
 igr2= 323, 324,
 &end
#
#  22 LYS+ QB     22 LYS+ QE      5.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 317, 318,
 igr2= 326, 327,
 &end
#
#  22 LYS+ QB     23 THR  HN      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 317, 318,
 &end
#
#  22 LYS+ QB     27 TYR  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1= 317, 318,
 igr2= 405, 410,
 &end
#
#  22 LYS+ HG2    23 THR  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 335, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  22 LYS+ HG3    23 THR  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  22 LYS+ QG     27 TYR  QD      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1= 320, 321,
 igr2= 403, 412,
 &end
#
#  22 LYS+ HD2    23 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HD3    23 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ QD     23 THR  HN      6.01                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 323, 324,
 &end
#
#  22 LYS+ HE2    23 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  22 LYS+ HE3    23 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  23 THR  HN     24 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 349, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 383, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  23 THR  HN     26 ASP- HA      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 385, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  23 THR  HN     26 ASP- HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 387, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  23 THR  HN     26 ASP- HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 388, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  23 THR  HN     27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  23 THR  HN     27 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 405, 410,
 &end
#
#  23 THR  HA     25 LYS+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 361, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  23 THR  HB     24 ASP- HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  23 THR  HB     25 LYS+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 361, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  23 THR  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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 341, 342, 343,
 &end
#
#  24 ASP- HN     25 LYS+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 361, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  24 ASP- HN     26 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  24 ASP- HA     26 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  24 ASP- HA     27 TYR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  24 ASP- HA     27 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 405, 410,
 &end
#
#  24 ASP- HA     28 LEU  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 416, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  24 ASP- HB2    25 LYS+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 361, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  24 ASP- HB3    25 LYS+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  25 LYS+ HN     25 LYS+ HG2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 368, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  25 LYS+ HN     25 LYS+ HG3     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 369, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  25 LYS+ HN     25 LYS+ QG      4.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 368, 369,
 &end
#
#  25 LYS+ HN     25 LYS+ HD2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 371, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  25 LYS+ HN     25 LYS+ HD3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 372, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  25 LYS+ HN     25 LYS+ QD      5.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 371, 372,
 &end
#
#  25 LYS+ HN     25 LYS+ QE      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HN     26 ASP- HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 383, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  25 LYS+ HN     26 ASP- QB      5.98                
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 387, 388,
 &end
#
#  25 LYS+ HN     27 TYR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 395, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  25 LYS+ HN     28 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 416, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  25 LYS+ HA     25 LYS+ HD2     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 371, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  25 LYS+ HA     25 LYS+ HD3     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 372, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  25 LYS+ HA     25 LYS+ QD      5.19                
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 371, 372,
 &end
#
#  25 LYS+ HA     25 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 374, 375,
 &end
#
#  25 LYS+ HA     27 TYR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 395, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  25 LYS+ HA     28 LEU  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 416, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 383, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &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      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 383, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  25 LYS+ QB     26 ASP- HN      5.03                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 365, 366,
 &end
#
#  25 LYS+ HG2    26 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  25 LYS+ HG3    26 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  25 LYS+ QG     26 ASP- HN      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 368, 369,
 &end
#
#  25 LYS+ 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
#
#  26 ASP- HN     27 TYR  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 395, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  26 ASP- HN     27 TYR  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 399, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  26 ASP- HN     27 TYR  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  26 ASP- HN     27 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 403, 412,
 &end
#
#  26 ASP- HN     28 LEU  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 416, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  26 ASP- HB2    27 TYR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  26 ASP- HB2    27 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 405, 410,
 &end
#
#  26 ASP- HB2    28 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 416, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  26 ASP- HB3    27 TYR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  26 ASP- HB3    27 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 405, 410,
 &end
#
#  26 ASP- HB3    28 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 416, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 416, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  27 TYR  HN     28 LEU  HB2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 420, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  27 TYR  HN     28 LEU  HB3     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 421, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  27 TYR  HN     28 LEU  QB      5.94                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2= 420, 421,
 &end
#
#  27 TYR  HN     30 GLN  QE2     7.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
 igr2= 454, 455,
 &end
#
#  27 TYR  HN     32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  27 TYR  HN     32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  27 TYR  HA     30 GLN  HE21    6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 454, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  27 TYR  HA     30 GLN  HE22    6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 455, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  27 TYR  HA     30 GLN  QE2     6.24                
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 454, 455,
 &end
#
#  27 TYR  HA     32 LEU  QQD     8.67                
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  27 TYR  HA     71 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=1108,1109,1110,1104,1105,1106,
 &end
#
#  27 TYR  HB2    28 LEU  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 416, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  27 TYR  HB2    30 GLN  HE21    8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 454, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  27 TYR  HB2    30 GLN  HE22    8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 455, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &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      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 416, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  27 TYR  HB3    30 GLN  HE21    8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 454, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  27 TYR  HB3    30 GLN  HE22    8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 455, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &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     7.43                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.36, r4= 9.86,
 igr1= 399, 400,
 igr2= 454, 455,
 &end
#
#  27 TYR  QB     71 LEU  QQD    10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1= 399, 400,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  27 TYR  QD     28 LEU  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 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    8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 405, 410,
 &end
#
#  27 TYR  QE     30 GLN  HE22    8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 405, 410,
 &end
#
#  27 TYR  QE     32 LEU  QD1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 405, 410,
 igr2= 492, 493, 494,
 &end
#
#  27 TYR  QE     32 LEU  QD2     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 405, 410,
 igr2= 496, 497, 498,
 &end
#
#  27 TYR  QE     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  HG      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  28 LEU  HN     28 LEU  QD1     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 425, 426, 427,
 &end
#
#  28 LEU  HN     28 LEU  QD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 429, 430, 431,
 &end
#
#  28 LEU  HN     29 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 435, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  28 LEU  HN     30 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 442, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  28 LEU  HA     28 LEU  HG      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 423, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  28 LEU  HA     28 LEU  QD1     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 425, 426, 427,
 &end
#
#  28 LEU  HA     28 LEU  QD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 429, 430, 431,
 &end
#
#  28 LEU  HA     30 GLN  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 442, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  28 LEU  HA    143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 418,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  28 LEU  HB2    29 GLY  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 435, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  28 LEU  HB2    30 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  28 LEU  HB3    29 GLY  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 435, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  28 LEU  HB3    30 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  28 LEU  QB     29 GLY  HN      5.73                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 420, 421,
 &end
#
#  28 LEU  QB     30 GLN  HN      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 420, 421,
 &end
#
#  28 LEU  HG     29 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 435, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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    30 GLN  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 442, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  QQD   142 ASP- HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2231, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  QQD   142 ASP- HA      7.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  QQD   143 GLY  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 429, 430, 431, 425, 426, 427,
 &end
#
#  28 LEU  QQD   143 GLY  QA      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36,
 igr1= 429, 430, 431, 425, 426, 427,
 igr2=2245,2246,
 &end
#
#  29 GLY  HN     30 GLN  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 442, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  29 GLY  HN     30 GLN  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 446, 447,
 &end
#
#  29 GLY  HN    141 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,2227, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  29 GLY  HN    141 PRO  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,2224, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  29 GLY  HN    141 PRO  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 435,2225, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2= 449, 450,
 &end
#
#  30 GLN  HN     30 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 454, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  30 GLN  HN     30 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 455, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  30 GLN  HN     31 TRP  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 459, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  30 GLN  HN     32 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 492, 493, 494,
 &end
#
#  30 GLN  HN     32 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 496, 497, 498,
 &end
#
#  30 GLN  HN    141 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,2227, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  30 GLN  HN    141 PRO  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,2224, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  30 GLN  HN    141 PRO  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,2225, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  30 GLN  HN    141 PRO  QB      6.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2=2224,2225,
 &end
#
#  30 GLN  HA     30 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 454, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  30 GLN  HA     30 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 455, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  30 GLN  HA     30 GLN  QE2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2= 454, 455,
 &end
#
#  30 GLN  HA     31 TRP  HD1     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 467, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  30 GLN  QB     30 GLN  HE21    6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1= 446, 447,
 &end
#
#  30 GLN  QB     30 GLN  HE22    6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 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  QG     69 THR  HG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 449, 450,
 &end
#
#  30 GLN  HE21   32 LEU  QD1     9.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
 igr2= 492, 493, 494,
 &end
#
#  30 GLN  HE21   32 LEU  QD2     9.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
 igr2= 496, 497, 498,
 &end
#
#  30 GLN  HE21   69 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,1071, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  30 GLN  HE21   69 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1073,1074,1075,
 &end
#
#  30 GLN  HE22   32 LEU  QD1     9.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
 igr2= 492, 493, 494,
 &end
#
#  30 GLN  HE22   32 LEU  QD2     9.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
 igr2= 496, 497, 498,
 &end
#
#  30 GLN  HE22   69 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,1071, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  30 GLN  HE22   69 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1073,1074,1075,
 &end
#
#  30 GLN  QE2    32 LEU  QQD     7.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.91, r4=12.41,
 igr1= 454, 455,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  31 TRP  HN     31 TRP  HD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 467, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  31 TRP  HN     31 TRP  HE3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 478, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HN     31 TRP  HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 469, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HN     32 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 483, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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     68 LEU  QB      7.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2=1052,1053,
 &end
#
#  31 TRP  HN     68 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1061,1062,1063,1057,1058,1059,
 &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     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 469, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 TRP  HB2    32 LEU  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 483, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  31 TRP  HB2    68 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1057,1058,1059,
 &end
#
#  31 TRP  HB2    68 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=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      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 483, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  31 TRP  HB3    68 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1057,1058,1059,
 &end
#
#  31 TRP  HB3    68 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=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     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    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  HD1    66 PRO  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1029, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HD1    66 PRO  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1030, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1036, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HD1    68 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 467,1048, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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  HD1   141 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=2221,2222,
 &end
#
#  31 TRP  HE3    32 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 483, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE3    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      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 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     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2298,2299,2300,2294,2295,2296,
 &end
#
#  31 TRP  HE3   165 HIST HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE3   165 HIST HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 478,2583, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1029, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1    66 PRO  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1030, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1    66 PRO  QB      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2=1029,1030,
 &end
#
#  31 TRP  HE1    66 PRO  QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=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    67 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,1036, 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 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      6.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2=2224,2225,
 &end
#
#  31 TRP  HE1   141 PRO  QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2221,2222,
 &end
#
#  31 TRP  HE1   141 PRO  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2218, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   141 PRO  HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,2219, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  31 TRP  HE1   141 PRO  QD      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 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  QD      8.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
 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      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 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      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2289,2290,
 &end
#
#  31 TRP  HZ3   146 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=2294,2295,2296,
 &end
#
#  31 TRP  HZ3   146 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=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   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   141 PRO  QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2221,2222,
 &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     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=2185,2186,2187,2181,2182,2183,
 &end
#
#  31 TRP  HH2   141 PRO  QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2221,2222,
 &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     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2= 492, 493, 494,
 &end
#
#  32 LEU  HN     32 LEU  QD2     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2= 496, 497, 498,
 &end
#
#  32 LEU  HN     32 LEU  QQD     6.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
 igr2= 496, 497, 498, 492, 493, 494,
 &end
#
#  32 LEU  HN     33 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 502, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HN    139 ILE  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,2195, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  32 LEU  HN    139 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2197,2198,2199,
 &end
#
#  32 LEU  HN    139 ILE  QG1     7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2201,2202,
 &end
#
#  32 LEU  HN    139 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2204,2205,2206,
 &end
#
#  32 LEU  HA     32 LEU  QD1     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2= 492, 493, 494,
 &end
#
#  32 LEU  HA     32 LEU  QD2     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2= 496, 497, 498,
 &end
#
#  32 LEU  HA     69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 LEU  HB2    71 LEU  QD1     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      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 LEU  HB3    71 LEU  QD1     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      5.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 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     7.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.91, r4=12.41,
 igr1= 487, 488,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  32 LEU  QB    139 ILE  HB      6.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 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      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2210, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 487, 488,
 &end
#
#  32 LEU  QD1    33 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 492, 493, 494,
 &end
#
#  32 LEU  QD1    70 PRO  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 492, 493, 494,
 &end
#
#  32 LEU  QD1    71 LEU  QD1    11.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.92, r4=16.42,
 igr1= 492, 493, 494,
 igr2=1104,1105,1106,
 &end
#
#  32 LEU  QD1    71 LEU  QD2    11.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.92, r4=16.42,
 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  QD1   139 ILE  HG12    8.95                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2201, r1= 1.30, r2= 1.80, r3=10.75, r4=11.25,
 igr1= 492, 493, 494,
 &end
#
#  32 LEU  QD1   139 ILE  HG13    8.95                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2202, r1= 1.30, r2= 1.80, r3=10.75, r4=11.25,
 igr1= 492, 493, 494,
 &end
#
#  32 LEU  QD2    33 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QD2    70 PRO  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QD2    71 LEU  QD1    11.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.92, r4=16.42,
 igr1= 496, 497, 498,
 igr2=1104,1105,1106,
 &end
#
#  32 LEU  QD2    71 LEU  QD2    11.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.92, r4=16.42,
 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  QD2   139 ILE  HG12    8.95                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2201, r1= 1.30, r2= 1.80, r3=10.75, r4=11.25,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QD2   139 ILE  HG13    8.95                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2202, r1= 1.30, r2= 1.80, r3=10.75, r4=11.25,
 igr1= 496, 497, 498,
 &end
#
#  32 LEU  QQD    34 ILE  QD1     9.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.33, r4=15.83,
 igr1= 496, 497, 498, 492, 493, 494,
 igr2= 534, 535, 536,
 &end
#
#  32 LEU  QQD    69 THR  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, 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    69 THR  QG2     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.85, r4=15.35,
 igr1= 496, 497, 498, 492, 493, 494,
 igr2=1073,1074,1075,
 &end
#
#  32 LEU  QQD    69 THR  HG1     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1077, 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     8.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.99, r4=16.49,
 igr1= 496, 497, 498, 492, 493, 494,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  32 LEU  QQD   139 ILE  QG1     7.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.68, r4=12.18,
 igr1= 496, 497, 498, 492, 493, 494,
 igr2=2201,2202,
 &end
#
#  33 LEU  HN     33 LEU  QB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 506, 507,
 &end
#
#  33 LEU  HN     33 LEU  QD1     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 511, 512, 513,
 &end
#
#  33 LEU  HN     33 LEU  QD2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 515, 516, 517,
 &end
#
#  33 LEU  HN     33 LEU  QQD     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
 igr2= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  HN     34 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 521, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HN     34 ILE  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 525, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HN     69 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1071, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HN     70 PRO  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HN     70 PRO  QB      5.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 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     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  33 LEU  HN    136 MET  QE      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr2=2145,2146,2147,
 &end
#
#  33 LEU  HN    139 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 502,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HA     33 LEU  QD1     6.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 511, 512, 513,
 &end
#
#  33 LEU  HA     33 LEU  QD2     6.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 504,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  33 LEU  HB2    68 LEU  HG      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,1055, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &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  HB2    71 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,1095, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HB2   138 LEU  QD1    10.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92,
 igr2=2181,2182,2183,
 &end
#
#  33 LEU  HB2   138 LEU  QD2    10.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92,
 igr2=2185,2186,2187,
 &end
#
#  33 LEU  HB3    34 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  33 LEU  HB3    68 LEU  HG      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 507,1055, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &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  HB3    71 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 507,1095, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  33 LEU  HB3   138 LEU  QD1    10.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92,
 igr2=2181,2182,2183,
 &end
#
#  33 LEU  HB3   138 LEU  QD2    10.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92,
 igr2=2185,2186,2187,
 &end
#
#  33 LEU  QB     34 ILE  HN      6.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 506, 507,
 &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    138 LEU  QQD     8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.83, r4=13.33,
 igr1= 506, 507,
 igr2=2185,2186,2187,2181,2182,2183,
 &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   136 MET  HB2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2138, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   136 MET  HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2139, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   136 MET  HG2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2141, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   136 MET  HG3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2142, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 511, 512, 513,
 &end
#
#  33 LEU  QD1   158 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 511, 512, 513,
 igr2=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   136 MET  HB2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2138, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   136 MET  HB3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2139, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   136 MET  HG2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2141, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   136 MET  HG3    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2142, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
 igr1= 515, 516, 517,
 &end
#
#  33 LEU  QD2   158 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 515, 516, 517,
 igr2=2491,2492,2493,
 &end
#
#  33 LEU  QQD    52 MET  HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 804, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD    52 MET  QG     10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2= 809, 810,
 &end
#
#  33 LEU  QQD    55 VAL  HB      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD    55 VAL  QQG    10.43                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=18.95, r4=19.45,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2= 861, 862, 863, 865, 866, 867,
 &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  QB     10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2=1052,1053,
 &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      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD    70 PRO  HA      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   136 MET  QB      9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2=2138,2139,
 &end
#
#  33 LEU  QQD   136 MET  QG      9.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2=2141,2142,
 &end
#
#  33 LEU  QQD   136 MET  QE      7.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.09, r4=12.59,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2=2145,2146,2147,
 &end
#
#  33 LEU  QQD   138 LEU  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2172, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 515, 516, 517, 511, 512, 513,
 &end
#
#  33 LEU  QQD   138 LEU  QQD    11.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=20.06, r4=20.56,
 igr1= 515, 516, 517, 511, 512, 513,
 igr2=2185,2186,2187,2181,2182,2183,
 &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     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 531, 532,
 &end
#
#  34 ILE  HN     34 ILE  QD1     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 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  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2145,2146,2147,
 &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  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  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,1095, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  34 ILE  HA     71 LEU  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1104,1105,1106,
 &end
#
#  34 ILE  HA     71 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1108,1109,1110,
 &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      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 540, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    35 TYR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    36 PHE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    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    71 LEU  HG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2    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     7.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.25, r4=11.75,
 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   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  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2155, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 527, 528, 529,
 &end
#
#  34 ILE  QG2   137 TYR  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2156, 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  QG2   139 ILE  QD1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 527, 528, 529,
 igr2=2204,2205,2206,
 &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    36 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= 531, 532,
 igr2= 571, 575,
 &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   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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 534, 535, 536,
 &end
#
#  34 ILE  QD1    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     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73,
 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     8.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.83, r4=12.33,
 igr1= 534, 535, 536,
 igr2=2204,2205,2206,
 &end
#
#  35 TYR  HN     36 PHE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 561, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1099,1100,
 &end
#
#  35 TYR  HN     71 LEU  HG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1102, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HN     71 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  35 TYR  HN     72 PHE  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1116, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HN     72 PHE  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1118, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HN     72 PHE  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1119, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 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    136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2145,2146,2147,
 &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    52 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 813, 814, 815,
 &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  HB2   136 MET  HG2     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 544,2141, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  35 TYR  HB2   136 MET  HG3     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 544,2142, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  35 TYR  HB3    52 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 813, 814, 815,
 &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
#
#  35 TYR  HB3   136 MET  HG2     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 545,2141, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  35 TYR  HB3   136 MET  HG3     7.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 545,2142, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,  &end
#
#  35 TYR  QB     35 TYR  HH      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 544, 545,
 &end
#
#  35 TYR  QB    136 MET  QG      6.67                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 544, 545,
 igr2=2141,2142,
 &end
#
#  35 TYR  QE     35 TYR  HH      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 550, 555,
 &end
#
#  35 TYR  HH     44 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 680, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HH     44 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 682, 683, 684,
 &end
#
#  35 TYR  HH     44 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 686, 687, 688,
 &end
#
#  35 TYR  HH     45 CYG  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 694, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HH     72 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1124,1128,
 &end
#
#  35 TYR  HH    132 HIS  HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 553,2075, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  35 TYR  HH    134 ILE  QG1     7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2106,2107,
 &end
#
#  35 TYR  HH    134 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2109,2110,2111,
 &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     36 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 573, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  36 PHE  HN    136 MET  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 561,2136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1124,1128,
 &end
#
#  36 PHE  HA     73 ILE  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,1134, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  36 PHE  HA     73 ILE  HB      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 563,1138, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &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     73 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=1147,1148,1149,
 &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  HB2    37 GLY  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 581, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  36 PHE  HB2    75 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1170,1171,1172,
 &end
#
#  36 PHE  HB2    75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1177,1178,1179,
 &end
#
#  36 PHE  HB2   115 VAL  QG1     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=1811,1812,1813,
 &end
#
#  36 PHE  HB2   115 VAL  QG2     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=1815,1816,1817,
 &end
#
#  36 PHE  HB3    37 GLY  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 581, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  36 PHE  HB3    75 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1170,1171,1172,
 &end
#
#  36 PHE  HB3    75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1177,1178,1179,
 &end
#
#  36 PHE  HB3   115 VAL  QG1     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=1811,1812,1813,
 &end
#
#  36 PHE  HB3   115 VAL  QG2     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=1815,1816,1817,
 &end
#
#  36 PHE  QB    115 VAL  QQG     8.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
 igr1= 565, 566,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
#  36 PHE  QD     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= 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    109 VAL  HB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 569, 577,
 &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  HB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1809, 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     9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 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     75 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=1177,1178,1179,
 &end
#
#  36 PHE  QE    106 VAL  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1657, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 571, 575,
 &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  HB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1704, 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    113 TYR  QB      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=1764,1765,
 &end
#
#  36 PHE  QE    113 TYR  QD     10.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86,
 igr1= 571, 575,
 igr2=1768,1777,
 &end
#
#  36 PHE  QE    115 VAL  HB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1= 571, 575,
 &end
#
#  36 PHE  QE    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= 571, 575,
 igr2=1811,1812,1813,
 &end
#
#  36 PHE  QE    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= 571, 575,
 igr2=1815,1816,1817,
 &end
#
#  36 PHE  QE    137 TYR  QD     10.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86,
 igr1= 571, 575,
 igr2=2159,2168,
 &end
#
#  36 PHE  QE    137 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= 571, 575,
 igr2=2161,2166,
 &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  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1764,1765,
 &end
#
#  36 PHE  HZ    113 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1768,1777,
 &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
#
#  36 PHE  HZ    137 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2159,2168,
 &end
#
#  37 GLY  HN     38 PHE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 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      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,1155, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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  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  HA2    72 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1124,1128,
 &end
#
#  37 GLY  HA2    75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1177,1178,1179,
 &end
#
#  37 GLY  HA3    72 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1124,1128,
 &end
#
#  37 GLY  HA3    75 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1177,1178,1179,
 &end
#
#  38 PHE  HN     38 PHE  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 598, 602,
 &end
#
#  38 PHE  HN     39 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 608, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  38 PHE  HN     39 THR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 610, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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     41 CYG  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  38 PHE  HN     72 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 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  QG2     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=1170,1171,1172,
 &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  QG1     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=2043,2044,2045,
 &end
#
#  38 PHE  QB    130 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= 592, 593,
 igr2=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 CYG  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  QG1     9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1= 596, 604,
 igr2=2043,2044,2045,
 &end
#
#  38 PHE  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= 596, 604,
 igr2=2047,2048,2049,
 &end
#
#  38 PHE  QE     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= 598, 602,
 &end
#
#  38 PHE  QE     75 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= 598, 602,
 igr2=1170,1171,1172,
 &end
#
#  38 PHE  QE     75 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= 598, 602,
 igr2=1177,1178,1179,
 &end
#
#  39 THR  HN     40 HIS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 622, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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 CYG  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 640, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &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      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 622, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 622, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 614, 615, 616,
 igr2=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
#
#  39 THR  QG2    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= 614, 615, 616,
 igr2=1374,1379,
 &end
#
#  40 HIS+ HN     40 HIS+ HD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 636, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  40 HIS+ HN     41 CYG  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  40 HIS+ HA     40 HIS+ HD2     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 636, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  40 HIS+ HA     40 HIS+ HE1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 632, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  40 HIS+ HA     88 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1372,1381,
 &end
#
#  40 HIS+ HA     88 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1374,1379,
 &end
#
#  40 HIS+ QB     41 CYG  HN      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 626, 627,
 &end
#
#  40 HIS+ HD2    41 CYG  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 CYG  HN     42 PRO  QD      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2= 651, 652,
 &end
#
#  41 CYG  HN     45 CYG  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 692, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  41 CYG  HN     45 CYG  HB2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 697, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  41 CYG  HN     45 CYG  HB3     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 696, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  41 CYG  HN     45 CYG  QB      5.82                
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2= 697, 696,
 &end
#
#  41 CYG  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 CYG  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      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 676, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &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
#
#  42 PRO  QG     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= 654, 655,
 &end
#
#  42 PRO  QG    129 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= 654, 655,
 igr2=2031,2032,2033,
 &end
#
#  42 PRO  HD2    44 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2= 682, 683, 684,
 &end
#
#  42 PRO  HD2    44 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2= 686, 687, 688,
 &end
#
#  42 PRO  HD2   129 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2031,2032,2033,
 &end
#
#  42 PRO  HD3    44 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2= 682, 683, 684,
 &end
#
#  42 PRO  HD3    44 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2= 686, 687, 688,
 &end
#
#  42 PRO  HD3   129 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2031,2032,2033,
 &end
#
#  42 PRO  QD     44 VAL  QQG     9.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.80, r4=14.30,
 igr1= 651, 652,
 igr2= 682, 683, 684, 686, 687, 688,
 &end
#
#  43 ASP- HN     44 VAL  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 676, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  43 ASP- HN     44 VAL  HA      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 678, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  43 ASP- HN     44 VAL  HB      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  43 ASP- HN     44 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 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
#
#  43 ASP- QB     44 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= 668, 669,
 igr2= 682, 683, 684,
 &end
#
#  43 ASP- QB     44 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= 668, 669,
 igr2= 686, 687, 688,
 &end
#
#  44 VAL  HN     45 CYG  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &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  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      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr2= 720, 721,
 &end
#
#  44 VAL  HA     48 GLU- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 731, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  44 VAL  HA    151 GLN  QE2     6.87                
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
 igr2=2376,2377,
 &end
#
#  44 VAL  HB     45 CYG  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &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   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= 682, 683, 684,
 &end
#
#  44 VAL  QG1   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= 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   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= 686, 687, 688,
 &end
#
#  44 VAL  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= 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   151 GLN  QE2     7.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1= 682, 683, 684, 686, 687, 688,
 igr2=2376,2377,
 &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  HA     47 GLU- HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 716, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  45 CYG  HA     48 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 731, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  45 CYG  HA     49 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 694,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2= 759, 760, 761, 755, 756, 757,
 &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
#
#  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     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 750, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  46 PRO  HA     49 LEU  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 751, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  46 PRO  HA     49 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 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      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 712,1450, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  46 PRO  HB2    92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  46 PRO  HB2    92 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 709,1450, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  46 PRO  HB3    92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  46 PRO  HB3    92 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 710,1450, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  47 GLU- HN     47 GLU- QG      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 723, 724,
 &end
#
#  47 GLU- HN     48 GLU- HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 731, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &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      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 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     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 772, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  47 GLU- HA     50 GLU- HG3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 773, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  47 GLU- HA     50 GLU- QG      5.06                
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 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      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 746, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  48 GLU- HN     49 LEU  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 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- HN     50 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 765, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  48 GLU- HA     49 LEU  QB      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr2= 750, 751,
 &end
#
#  48 GLU- HA     50 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 765, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  48 GLU- HA     51 LYS+ HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 780, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &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      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 753, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  49 LEU  HN     49 LEU  QD1     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2= 755, 756, 757,
 &end
#
#  49 LEU  HN     49 LEU  QD2     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2= 759, 760, 761,
 &end
#
#  49 LEU  HN     49 LEU  QQD     6.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
 igr2= 759, 760, 761, 755, 756, 757,
 &end
#
#  49 LEU  HN     50 GLU- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 765, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  49 LEU  HN     52 MET  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 802, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  49 LEU  HN     53 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 819, 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     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 755, 756, 757,
 &end
#
#  49 LEU  HA     49 LEU  QD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 759, 760, 761,
 &end
#
#  49 LEU  HA     52 MET  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 802, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  49 LEU  HA     52 MET  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 806, 807,
 &end
#
#  49 LEU  HA     52 MET  QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 809, 810,
 &end
#
#  49 LEU  HA     52 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 813, 814, 815,
 &end
#
#  49 LEU  HB2    50 GLU- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 765, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  49 LEU  HB3    50 GLU- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 765, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  49 LEU  QB     50 GLU- HN      5.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 750, 751,
 &end
#
#  49 LEU  QB     53 ILE  HN      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 765, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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    52 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= 755, 756, 757,
 igr2= 813, 814, 815,
 &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    52 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= 759, 760, 761,
 igr2= 813, 814, 815,
 &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  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 802, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1= 759, 760, 761, 755, 756, 757,
 &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    52 MET  QE      8.01                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.97, r4=13.47,
 igr1= 759, 760, 761, 755, 756, 757,
 igr2= 813, 814, 815,
 &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  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=1368,1369,
 &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- QG      5.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 772, 773,
 &end
#
#  50 GLU- HN     51 LYS+ HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 780, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &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      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 819, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 780, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  50 GLU- HG2    54 GLN  HE21    7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 850, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  50 GLU- HG2    54 GLN  HE22    7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 851, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 780, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  50 GLU- HG3    54 GLN  HE21    7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 850, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  50 GLU- HG3    54 GLN  HE22    7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 851, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &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      5.92                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 772, 773,
 &end
#
#  50 GLU- QG     54 GLN  QE2     6.77                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1= 772, 773,
 igr2= 850, 851,
 &end
#
#  51 LYS+ HN     51 LYS+ QG      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2= 787, 788,
 &end
#
#  51 LYS+ HN     51 LYS+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 790, 791,
 &end
#
#  51 LYS+ HN     51 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 793, 794,
 &end
#
#  51 LYS+ HN     52 MET  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 780, 802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 LYS+ HA     51 LYS+ QD      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 819, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  51 LYS+ HA     54 GLN  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 838, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  51 LYS+ HA     54 GLN  HB2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 842, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  51 LYS+ HA     54 GLN  HB3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 843, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  51 LYS+ HA     54 GLN  QB      5.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 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  QG      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2= 845, 846,
 &end
#
#  51 LYS+ HA     54 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 850, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  51 LYS+ HA     54 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 851, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  51 LYS+ QB     51 LYS+ QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34,
 igr1= 784, 785,
 igr2= 793, 794,
 &end
#
#  51 LYS+ QB     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= 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      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 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      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2441, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 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      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 809, 810,
 &end
#
#  52 MET  HN     52 MET  QE      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 813, 814, 815,
 &end
#
#  52 MET  HN     53 ILE  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 802, 819, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &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  HN     55 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2= 861, 862, 863, 865, 866, 867,
 &end
#
#  52 MET  HA     52 MET  QE      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2= 813, 814, 815,
 &end
#
#  52 MET  HA     54 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 838, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  52 MET  HA     55 VAL  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 855, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  52 MET  HA     55 VAL  HB      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 859, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &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  QB    136 MET  HG2     7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2141, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 806, 807,
 &end
#
#  52 MET  QB    136 MET  HG3     7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 806, 807,
 &end
#
#  52 MET  QE     53 ILE  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 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  HG12    5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 829, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  53 ILE  HN     53 ILE  HG13    5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 830, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  53 ILE  HN     53 ILE  QG1     5.29                
 &rst
  ixpk= 0, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 829, 830,
 &end
#
#  53 ILE  HN     53 ILE  QD1     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2= 832, 833, 834,
 &end
#
#  53 ILE  HN     54 GLN  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 838, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  53 ILE  HN     54 GLN  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 845, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  53 ILE  HN     54 GLN  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 846, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 875, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  53 ILE  HA     56 VAL  QQG     7.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 877, 878, 879, 881, 882, 883,
 &end
#
#  53 ILE  HA     57 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 887, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  53 ILE  HB     54 GLN  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 838, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  53 ILE  QG2    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= 825, 826, 827,
 &end
#
#  53 ILE  QG2    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= 825, 826, 827,
 &end
#
#  53 ILE  QG2    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= 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 838, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  53 ILE  HG13   54 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 838, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  53 ILE  QG1    54 GLN  HN      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 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    56 VAL  QQG     7.96                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.89, r4=13.39,
 igr1= 832, 833, 834,
 igr2= 877, 878, 879, 881, 882, 883,
 &end
#
#  53 ILE  QD1    57 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    92 PHE  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    92 PHE  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1442, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    92 PHE  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1443, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 832, 833, 834,
 &end
#
#  53 ILE  QD1    96 LEU  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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
#
#  53 ILE  QD1    96 LEU  QB      7.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 832, 833, 834,
 igr2=1509,1510,
 &end
#
#  53 ILE  QD1    96 LEU  QQD     8.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.36, r4=14.86,
 igr1= 832, 833, 834,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  54 GLN  HN     54 GLN  HG2     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 845, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  54 GLN  HN     54 GLN  HG3     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  54 GLN  HN     54 GLN  QG      4.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 845, 846,
 &end
#
#  54 GLN  HN     54 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 850, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  54 GLN  HN     54 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 851, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  54 GLN  HN     55 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 855, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &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     57 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 887, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  54 GLN  HN    155 LYS+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 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    5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 850, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  54 GLN  HA     54 GLN  HE22    5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 851, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  54 GLN  HA     54 GLN  QE2     5.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 850, 851,
 &end
#
#  54 GLN  HA     57 ASP- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 887, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  54 GLN  HA     57 ASP- HB2     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 891, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  54 GLN  HA     57 ASP- HB3     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 892, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  54 GLN  HA     57 ASP- QB      4.92                
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 891, 892,
 &end
#
#  54 GLN  HB2    54 GLN  HE21    6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 850, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  54 GLN  HB2    54 GLN  HE22    6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 851, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  54 GLN  HB2    55 VAL  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 855, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  54 GLN  HB2   155 LYS+ HD2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 842,2451, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  HB2   155 LYS+ HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 842,2452, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  HB3    54 GLN  HE21    6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 850, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  54 GLN  HB3    54 GLN  HE22    6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 851, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  54 GLN  HB3    55 VAL  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 855, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  54 GLN  HB3   155 LYS+ HD2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 843,2451, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  HB3   155 LYS+ HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 843,2452, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  QB     55 VAL  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 842, 843,
 &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      8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 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      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,
 igr1= 842, 843,
 igr2=2451,2452,
 &end
#
#  54 GLN  HG2    55 VAL  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 855, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HG2   155 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2448,2449,
 &end
#
#  54 GLN  HG2   155 LYS+ HD2     8.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 845,2451, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,  &end
#
#  54 GLN  HG2   155 LYS+ HD3     8.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 845,2452, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,  &end
#
#  54 GLN  HG3    55 VAL  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 855, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 GLN  HG3   155 LYS+ QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2448,2449,
 &end
#
#  54 GLN  HG3   155 LYS+ HD2     8.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 846,2451, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,  &end
#
#  54 GLN  HG3   155 LYS+ HD3     8.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 846,2452, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,  &end
#
#  54 GLN  QG     55 VAL  HN      5.55                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 845, 846,
 &end
#
#  54 GLN  QG    155 LYS+ QD      7.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 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     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 850,2451, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  HE21  155 LYS+ HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 850,2452, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &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     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 851,2451, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  HE22  155 LYS+ HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat= 851,2452, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  54 GLN  QE2   155 LYS+ QG      7.45                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.39, r4= 9.89,
 igr1= 850, 851,
 igr2=2448,2449,
 &end
#
#  54 GLN  QE2   155 LYS+ QD      7.43                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.36, r4= 9.86,
 igr1= 850, 851,
 igr2=2451,2452,
 &end
#
#  55 VAL  HN     56 VAL  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 871, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  55 VAL  HN     57 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 887, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  55 VAL  HN     58 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 899, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  55 VAL  HN    155 LYS+ HD2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 855,2451, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  55 VAL  HN    155 LYS+ HD3     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 855,2452, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  55 VAL  HN    155 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 855,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2454,2455,
 &end
#
#  55 VAL  HN    158 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 855,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2491,2492,2493,
 &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      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 899, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  55 VAL  HA     58 GLU- QB      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr2= 903, 904,
 &end
#
#  55 VAL  HA     58 GLU- QG      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 906, 907,
 &end
#
#  55 VAL  HA    155 LYS+ QD      7.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2=2451,2452,
 &end
#
#  55 VAL  HA    155 LYS+ QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=2454,2455,
 &end
#
#  55 VAL  HA    158 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2491,2492,2493,
 &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      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 871, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  55 VAL  QG1   158 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 861, 862, 863,
 igr2=2491,2492,2493,
 &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   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= 865, 866, 867,
 igr2=2491,2492,2493,
 &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      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  55 VAL  QQG    56 VAL  HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 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   155 LYS+ HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2443, 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      8.26                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2489, r1= 1.30, r2= 1.80, r3=11.13, r4=11.63,
 igr1= 861, 862, 863, 865, 866, 867,
 &end
#
#  55 VAL  QQG   159 ALA  QB      9.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.48, r4=15.98,
 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      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 887, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  56 VAL  HN     68 LEU  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 871,1052, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  56 VAL  HN     68 LEU  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 871,1053, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  56 VAL  HA     59 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 914, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  56 VAL  HA     59 ILE  HB      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 918, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  56 VAL  HA     59 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 920, 921, 922,
 &end
#
#  56 VAL  HA     59 ILE  QD1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,1052, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  56 VAL  HA     68 LEU  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,1053, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  56 VAL  HA     68 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1061,1062,1063,1057,1058,1059,
 &end
#
#  56 VAL  HB     57 ASP- HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 887, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  56 VAL  QG1    57 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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- HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 889, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 877, 878, 879, 881, 882, 883,
 &end
#
#  56 VAL  QQG    68 LEU  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1048, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1= 877, 878, 879, 881, 882, 883,
 &end
#
#  56 VAL  QQG    68 LEU  QB      8.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.35, r4=13.85,
 igr1= 877, 878, 879, 881, 882, 883,
 igr2=1052,1053,
 &end
#
#  56 VAL  QQG    68 LEU  HG      8.06                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1055, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36,
 igr1= 877, 878, 879, 881, 882, 883,
 &end
#
#  56 VAL  QQG    70 PRO  QB     10.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69,
 igr1= 877, 878, 879, 881, 882, 883,
 igr2=1088,1089,
 &end
#
#  57 ASP- HN     58 GLU- HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 899, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  57 ASP- HN     59 ILE  HB      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 918, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1493,1494,
 &end
#
#  57 ASP- HA     59 ILE  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 914, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  57 ASP- HA     60 ASP- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  57 ASP- HA     60 ASP- HB2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 937, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  57 ASP- HA     60 ASP- HB3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 938, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  57 ASP- HB2    58 GLU- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 891, 899, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  57 ASP- HB2    59 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 891, 914, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  57 ASP- HB3    58 GLU- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 899, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  57 ASP- HB3    59 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 914, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  57 ASP- QB     59 ILE  HN      6.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 891, 892,
 &end
#
#  58 GLU- HN     58 GLU- HG2     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 906, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  58 GLU- HN     58 GLU- HG3     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 907, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  58 GLU- HN     58 GLU- QG      4.06                
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 906, 907,
 &end
#
#  58 GLU- HN     59 ILE  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 914, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &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     6.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 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     58 GLU- HG2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 906, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  58 GLU- HA     58 GLU- HG3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 907, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  58 GLU- HA     58 GLU- QG      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 906, 907,
 &end
#
#  58 GLU- HA     60 ASP- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 933, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  58 GLU- QB     61 SER  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34,
 igr1= 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- HG2    59 ILE  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 914, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  58 GLU- HG3    59 ILE  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 907, 914, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  58 GLU- QG     59 ILE  HN      4.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 906, 907,
 &end
#
#  58 GLU- QG     60 ASP- HN      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr1= 906, 907,
 &end
#
#  58 GLU- QG    159 ALA  QB      8.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.16, r4=11.66,
 igr1= 906, 907,
 igr2=2508,2509,2510,
 &end
#
#  59 ILE  HN     59 ILE  HB      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 918, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  59 ILE  HN     59 ILE  HG12    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 924, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  59 ILE  HN     59 ILE  HG13    5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 925, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  59 ILE  HN     59 ILE  QG1     5.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 924, 925,
 &end
#
#  59 ILE  HN     59 ILE  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 927, 928, 929,
 &end
#
#  59 ILE  HN     60 ASP- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 933, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  59 ILE  HN     61 SER  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 945, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  59 ILE  HN     62 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 945, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  59 ILE  HA     62 ILE  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 956, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  59 ILE  HA     62 ILE  HB      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 960, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  59 ILE  HA     62 ILE  QG1     6.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2= 966, 967,
 &end
#
#  59 ILE  HA     62 ILE  QD1     7.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2= 969, 970, 971,
 &end
#
#  59 ILE  HA    159 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2508,2509,2510,
 &end
#
#  59 ILE  HA    162 ILE  HB      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 916,2539, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  59 ILE  HB     60 ASP- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 933, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  59 ILE  HB     65 LEU  QB      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 920, 921, 922,
 &end
#
#  59 ILE  QG2    60 ASP- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 920, 921, 922,
 &end
#
#  59 ILE  QG2    61 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 920, 921, 922,
 &end
#
#  59 ILE  QG2    62 ILE  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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  QG2    68 LEU  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1048, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 920, 921, 922,
 &end
#
#  59 ILE  QG2    68 LEU  QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1= 920, 921, 922,
 igr2=1052,1053,
 &end
#
#  59 ILE  QG2   159 ALA  QB      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.26, r4=12.76,
 igr1= 920, 921, 922,
 igr2=2508,2509,2510,
 &end
#
#  59 ILE  QG2   162 ILE  HB      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2539, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 920, 921, 922,
 &end
#
#  59 ILE  HG12   60 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 924, 933, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  59 ILE  HG13   60 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 933, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  59 ILE  QG1    61 SER  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1= 924, 925,
 &end
#
#  59 ILE  QD1    60 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 927, 928, 929,
 &end
#
#  59 ILE  QD1    61 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 927, 928, 929,
 &end
#
#  59 ILE  QD1   158 ILE  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1= 927, 928, 929,
 igr2=2491,2492,2493,
 &end
#
#  59 ILE  QD1   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= 927, 928, 929,
 &end
#
#  59 ILE  QD1   159 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= 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.67, r4=11.17,
 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      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 945, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  60 ASP- HN     61 SER  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 949, 950,
 &end
#
#  60 ASP- HN     62 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 956, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  60 ASP- HN     67 ASP- HA      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 933,1038, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  60 ASP- HA     68 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 935,1048, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  60 ASP- HB2    61 SER  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 945, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  60 ASP- HB2    62 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 956, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  60 ASP- HB3    61 SER  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 945, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  60 ASP- HB3    62 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 956, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  61 SER  HN     62 ILE  HB      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 960, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &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    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 966, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  61 SER  HN     62 ILE  HG13    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 967, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 975, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  62 ILE  HN     62 ILE  HG12    4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 966, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  62 ILE  HN     62 ILE  HG13    4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 967, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  62 ILE  HN     62 ILE  QD1     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 969, 970, 971,
 &end
#
#  62 ILE  HN     63 THR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 975, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  62 ILE  HN     64 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 989, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  62 ILE  HB     63 THR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 975, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  62 ILE  HB     64 THR  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 989, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  62 ILE  HB     65 LEU  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 960,1003, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  62 ILE  QG2    63 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 962, 963, 964,
 &end
#
#  62 ILE  QG2    65 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 966, 967,
 &end
#
#  62 ILE  QG1    65 LEU  HN      7.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
 igr1= 966, 967,
 &end
#
#  62 ILE  QD1    63 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 975, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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     64 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 975, 989, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  63 THR  HA     65 LEU  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 977,1003, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  63 THR  HB     64 THR  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 979, 989, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  63 THR  QG2    64 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 981, 982, 983,
 &end
#
#  64 THR  HN     65 LEU  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 989,1003, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 THR  HN     65 LEU  QB      7.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2=1007,1008,
 &end
#
#  64 THR  HB     65 LEU  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1003, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  64 THR  HB    171 LYS+ QG      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 995, 996, 997,
 &end
#
#  64 THR  QG2   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= 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  QD1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2=1012,1013,1014,
 &end
#
#  65 LEU  HN     65 LEU  QD2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2=1016,1017,1018,
 &end
#
#  65 LEU  HN     65 LEU  QQD     5.28                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2=1016,1017,1018,1012,1013,1014,
 &end
#
#  65 LEU  HN     66 PRO  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1023, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  65 LEU  HN     66 PRO  HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1024, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  65 LEU  HA     65 LEU  QD1     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2=1012,1013,1014,
 &end
#
#  65 LEU  HA     65 LEU  QD2     6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2=1016,1017,1018,
 &end
#
#  65 LEU  HA    171 LYS+ QB      6.78                
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2=2699,2700,
 &end
#
#  65 LEU  HA    172 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1005,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2730,2731,
 &end
#
#  65 LEU  HB2    66 PRO  HD2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1023, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  65 LEU  HB2    66 PRO  HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1024, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  65 LEU  HB3    66 PRO  HD2     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1023, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  65 LEU  HB3    66 PRO  HD3     8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1024, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  65 LEU  QB     66 PRO  QD      7.23                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.11, r4= 9.61,
 igr1=1007,1008,
 igr2=1023,1024,
 &end
#
#  65 LEU  QD1    66 PRO  HB2     9.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1029, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36,
 igr1=1012,1013,1014,
 &end
#
#  65 LEU  QD1    66 PRO  HB3     9.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1030, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36,
 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      8.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
 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     9.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1029, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36,
 igr1=1016,1017,1018,
 &end
#
#  65 LEU  QD2    66 PRO  HB3     9.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1030, r1= 1.30, r2= 1.80, r3=10.86, r4=11.36,
 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      8.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
 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      8.67                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1032, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
 igr1=1016,1017,1018,1012,1013,1014,
 &end
#
#  65 LEU  QQD    66 PRO  QB      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
 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      7.61                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.32, r4=12.82,
 igr1=1016,1017,1018,1012,1013,1014,
 igr2=2558,2559,2560,
 &end
#
#  65 LEU  QQD   170 ARG+ HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2673, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=1016,1017,1018,1012,1013,1014,
 &end
#
#  65 LEU  QQD   170 ARG+ QD     10.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
 igr1=1016,1017,1018,1012,1013,1014,
 igr2=2681,2682,
 &end
#
#  66 PRO  HB2    67 ASP- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1029,1036, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  66 PRO  HB3    67 ASP- HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1036, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  67 ASP- HN     68 LEU  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1048, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  67 ASP- HB2    68 LEU  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1048, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  67 ASP- HB3    68 LEU  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1041,1048, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  68 LEU  HN     68 LEU  HG      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1055, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  68 LEU  HN     68 LEU  QD1     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2=1057,1058,1059,
 &end
#
#  68 LEU  HN     68 LEU  QD2     7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2=1061,1062,1063,
 &end
#
#  68 LEU  HN     68 LEU  QQD     6.93                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr2=1061,1062,1063,1057,1058,1059,
 &end
#
#  68 LEU  HN     69 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2=1057,1058,1059,
 &end
#
#  68 LEU  HA     68 LEU  QD2     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2=1061,1062,1063,
 &end
#
#  68 LEU  HA     69 THR  HG1     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1077, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  68 LEU  HB2    69 THR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1067, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  68 LEU  HB3    69 THR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1067, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  68 LEU  QB     69 THR  HN      5.89                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1052,1053,
 &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    70 PRO  QB     10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1=1061,1062,1063,1057,1058,1059,
 igr2=1088,1089,
 &end
#
#  68 LEU  QQD    70 PRO  QG     10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1=1061,1062,1063,1057,1058,1059,
 igr2=1085,1086,
 &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      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 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     8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.68, r4=12.18,
 igr1=1073,1074,1075,
 igr2=1104,1105,1106,
 &end
#
#  69 THR  QG2    71 LEU  QD2     8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.68, r4=12.18,
 igr1=1073,1074,1075,
 igr2=1108,1109,1110,
 &end
#
#  69 THR  QG2    71 LEU  QQD     7.65                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.38, r4=12.88,
 igr1=1073,1074,1075,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  69 THR  QG2    96 LEU  HA      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 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    97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  70 PRO  HB3    97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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  QG     96 LEU  HA      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1085,1086,
 &end
#
#  71 LEU  HN     71 LEU  HG      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,1102, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  71 LEU  HN     71 LEU  QD1     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2=1104,1105,1106,
 &end
#
#  71 LEU  HN     71 LEU  QD2     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2=1108,1109,1110,
 &end
#
#  71 LEU  HN     71 LEU  QQD     6.47                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
 igr2=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 LEU  HN     96 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1095,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  71 LEU  HA     71 LEU  QD1     6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr2=1104,1105,1106,
 &end
#
#  71 LEU  HA     71 LEU  QD2     6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 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      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1114, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  71 LEU  HB3    72 PHE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1114, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  71 LEU  QB     72 PHE  HN      5.76                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1114, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  71 LEU  HG     97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  71 LEU  QD1    72 PHE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1104,1105,1106,
 &end
#
#  71 LEU  QD1    73 ILE  QD1     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
 igr1=1104,1105,1106,
 igr2=1147,1148,1149,
 &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  QD1    97 VAL  QG1    11.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.47, r4=16.97,
 igr1=1104,1105,1106,
 igr2=1530,1531,1532,
 &end
#
#  71 LEU  QD1    97 VAL  QG2    11.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.47, r4=16.97,
 igr1=1104,1105,1106,
 igr2=1534,1535,1536,
 &end
#
#  71 LEU  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=1104,1105,1106,
 &end
#
#  71 LEU  QD1    99 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.49, r4=15.99,
 igr1=1104,1105,1106,
 igr2=1556,1557,1558,
 &end
#
#  71 LEU  QD1    99 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.49, r4=15.99,
 igr1=1104,1105,1106,
 igr2=1560,1561,1562,
 &end
#
#  71 LEU  QD2    72 PHE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1108,1109,1110,
 &end
#
#  71 LEU  QD2    73 ILE  QD1     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
 igr1=1108,1109,1110,
 igr2=1147,1148,1149,
 &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  QD2    97 VAL  QG1    11.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.47, r4=16.97,
 igr1=1108,1109,1110,
 igr2=1530,1531,1532,
 &end
#
#  71 LEU  QD2    97 VAL  QG2    11.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.47, r4=16.97,
 igr1=1108,1109,1110,
 igr2=1534,1535,1536,
 &end
#
#  71 LEU  QD2    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=1108,1109,1110,
 &end
#
#  71 LEU  QD2    99 LEU  QD1    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.49, r4=15.99,
 igr1=1108,1109,1110,
 igr2=1556,1557,1558,
 &end
#
#  71 LEU  QD2    99 LEU  QD2    10.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.49, r4=15.99,
 igr1=1108,1109,1110,
 igr2=1560,1561,1562,
 &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     4.84                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1=1108,1109,1110,1104,1105,1106,
 igr2=1147,1148,1149,
 &end
#
#  71 LEU  QQD    97 VAL  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=1108,1109,1110,1104,1105,1106,
 &end
#
#  71 LEU  QQD    97 VAL  QQG     9.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.63, r4=17.13,
 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     8.69                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.79, r4=16.29,
 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1134, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HN     73 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1140,1141,1142,
 &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1528, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HN     97 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 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     99 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1547, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  72 PHE  HA     73 ILE  HB      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &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      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1134, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  72 PHE  HB3    73 ILE  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1134, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  72 PHE  QB     89 VAL  QQG    10.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69,
 igr1=1118,1119,
 igr2=1391,1392,1393,1395,1396,1397,
 &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      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 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      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 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     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=1124,1128,
 igr2=1374,1379,
 &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
#
#  72 PHE  HZ     88 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1126,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1374,1379,
 &end
#
#  73 ILE  HN     73 ILE  HG12    6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1134,1144, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  73 ILE  HN     73 ILE  HG13    6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1134,1145, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  73 ILE  HN     73 ILE  QG1     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1144,1145,
 &end
#
#  73 ILE  HN     73 ILE  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1147,1148,1149,
 &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     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1551, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  73 ILE  HA     99 LEU  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1552, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1153, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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     9.77                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.82, r4=16.32,
 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  HB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1140,1141,1142,
 &end
#
#  73 ILE  QG2   109 VAL  QG1     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1140,1141,1142,
 igr2=1706,1707,1708,
 &end
#
#  73 ILE  QG2   109 VAL  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1140,1141,1142,
 igr2=1710,1711,1712,
 &end
#
#  73 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=1140,1141,1142,
 &end
#
#  73 ILE  QG1    74 SER  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1144,1145,
 &end
#
#  73 ILE  QG1    99 LEU  HN      7.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1=1144,1145,
 &end
#
#  73 ILE  QG1    99 LEU  QQD     8.65                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
 igr1=1144,1145,
 igr2=1560,1561,1562,1556,1557,1558,
 &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     6.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.83, r4=10.33,
 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   109 VAL  QQG     8.36                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.53, r4=14.03,
 igr1=1147,1148,1149,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
#  73 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=1147,1148,1149,
 igr2=1768,1777,
 &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     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1551, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  74 SER  HN     99 LEU  HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1552, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  74 SER  HB2    75 ILE  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1164, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &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  HG12    8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1331, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  74 SER  HB2    85 ILE  HG13    8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1332, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &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      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1164, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &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  HG12    8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1331, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &end
#
#  74 SER  HB3    85 ILE  HG13    8.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1332, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,  &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     76 ASP- HN      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=1157,1158,
 &end
#
#  74 SER  QB     85 ILE  QG1     7.42                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85,
 igr1=1157,1158,
 igr2=1331,1332,
 &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    5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1174, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  75 ILE  HN     75 ILE  HG13    5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1175, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  75 ILE  HN     75 ILE  QG1     5.53                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 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      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1183, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &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  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1657, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1170,1171,1172,
 &end
#
#  75 ILE  QG2   106 VAL  QQG     9.66                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.64, r4=16.14,
 igr1=1170,1171,1172,
 igr2=1661,1662,1663,1665,1666,1667,
 &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  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    76 ASP- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1177,1178,1179,
 &end
#
#  75 ILE  QD1   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=1177,1178,1179,
 &end
#
#  75 ILE  QD1   115 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=1177,1178,1179,
 igr2=1811,1812,1813,1815,1816,1817,
 &end
#
#  75 ILE  QD1   117 TYR  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=1177,1178,1179,
 igr2=1846,1847,
 &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      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2041, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1=1177,1178,1179,
 &end
#
#  75 ILE  QD1   130 VAL  QQG     9.76                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.80, r4=16.30,
 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
#
#  75 ILE  QD1   132 HIS  HB2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2069, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1177,1178,1179,
 &end
#
#  75 ILE  QD1   132 HIS  HB3     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2070, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1177,1178,1179,
 &end
#
#  76 ASP- HN     78 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1183,1209, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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
#
#  76 ASP- HA    130 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1185,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=2043,2044,2045,2047,2048,2049,
 &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      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1248, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &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     8.66                
 &rst
  ixpk= 0, nxpk= 0, iat=1205,  -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
#  77 PRO  HB2   101 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1580, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  77 PRO  HB3   101 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1580, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  77 PRO  QB     78 GLU- HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1202,1203,
 &end
#
#  77 PRO  QB    102 THR  HA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=1202,1203,
 &end
#
#  77 PRO  QG    101 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 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   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   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      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 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- HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1213, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  78 GLU- HN     78 GLU- HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1214, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  78 GLU- HN     78 GLU- HG2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1216, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  78 GLU- HN     78 GLU- HG3     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1217, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  78 GLU- HN     78 GLU- QG      5.55                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1216,1217,
 &end
#
#  78 GLU- HN     79 ARG+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1224, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  78 GLU- HA     80 ASP- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1248, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  78 GLU- HB2    79 ARG+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1224, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &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      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1214,1224, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &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    128 TYR  QD      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=1213,1214,
 igr2=2005,2014,
 &end
#
#  78 GLU- HG2    79 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1224, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  78 GLU- HG3    79 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1224, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  78 GLU- QG    128 TYR  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=1216,1217,
 igr2=2007,2012,
 &end
#
#  79 ARG+ HN     79 ARG+ HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1231, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  79 ARG+ HN     79 ARG+ HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1232, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  79 ARG+ HN     79 ARG+ QG      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2=1231,1232,
 &end
#
#  79 ARG+ HN     79 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1234,1235,
 &end
#
#  79 ARG+ HN     80 ASP- HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1248, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  79 ARG+ HA     79 ARG+ QD      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr2=1234,1235,
 &end
#
#  79 ARG+ HG2    80 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1248, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  79 ARG+ HG3    80 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1248, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  79 ARG+ QD     80 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1234,1235,
 &end
#
#  79 ARG+ QD     81 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1234,1235,
 &end
#
#  80 ASP- HN     81 THR  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1260, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1311, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  80 ASP- HA     84 ALA  QB      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1250,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1315,1316,1317,
 &end
#
#  80 ASP- QB     84 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=1252,1253,
 igr2=1315,1316,1317,
 &end
#
#  80 ASP- QB     85 ILE  QG1     8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1=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      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1274, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  81 THR  HN     84 ALA  HA      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1313, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  81 THR  HN     84 ALA  QB      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1315,1316,1317,
 &end
#
#  81 THR  HA     82 LYS+ HB2     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  81 THR  HA     82 LYS+ HB3     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  81 THR  HA     83 GLU- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1296, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  81 THR  HA     84 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1311, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  81 THR  HB     82 LYS+ HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1274, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  81 THR  HB     83 GLU- HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1296, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  81 THR  QG2    82 LYS+ HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 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
#
#  81 THR  QG2    84 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=1266,1267,1268,
 igr2=1315,1316,1317,
 &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      6.25                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr2=1281,1282,
 &end
#
#  82 LYS+ HN     82 LYS+ HD2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1284, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  82 LYS+ HN     82 LYS+ HD3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1285, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  82 LYS+ HN     82 LYS+ QD      5.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 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      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1296, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  82 LYS+ HA     82 LYS+ HD2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1284, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  82 LYS+ HA     82 LYS+ HD3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1285, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  82 LYS+ HA     82 LYS+ QD      5.13                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1284,1285,
 &end
#
#  82 LYS+ HA     82 LYS+ QE      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 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      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  82 LYS+ HA     85 ILE  QG1     6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 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      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1287,1288,
 &end
#
#  82 LYS+ HB3    82 LYS+ QE      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1287,1288,
 &end
#
#  82 LYS+ QB     82 LYS+ QE      5.37                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1=1278,1279,
 igr2=1287,1288,
 &end
#
#  82 LYS+ QB     83 GLU- HN      4.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1278,1279,
 &end
#
#  82 LYS+ HG2    83 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1296, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  82 LYS+ HG3    83 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1282,1296, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  82 LYS+ QG     83 GLU- HN      6.39                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1=1281,1282,
 &end
#
#  82 LYS+ HD2    83 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1284,1296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  82 LYS+ HD3    83 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1285,1296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  82 LYS+ QD     83 GLU- HN      5.69                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=1284,1285,
 &end
#
#  82 LYS+ QE     83 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1287,1288,
 &end
#
#  83 GLU- HN     83 GLU- HG2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1303, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  83 GLU- HN     83 GLU- HG3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1304, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  83 GLU- HN     83 GLU- QG      4.93                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1303,1304,
 &end
#
#  83 GLU- HN     84 ALA  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1311, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  83 GLU- HN     84 ALA  QB      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 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- HN     86 ALA  QB      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1344,1345,1346,
 &end
#
#  83 GLU- HA     85 ILE  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1321, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  83 GLU- HA     86 ALA  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1340, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  83 GLU- HA     86 ALA  QB      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1344,1345,1346,
 &end
#
#  83 GLU- HA     87 ASN  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1350, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  83 GLU- HB2    84 ALA  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1311, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  83 GLU- HB3    84 ALA  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1301,1311, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &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      6.39                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1=1303,1304,
 &end
#
#  84 ALA  HN     85 ILE  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 ALA  HN     85 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=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     7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 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  HN     86 ALA  QB      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1344,1345,1346,
 &end
#
#  84 ALA  HA     86 ALA  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  84 ALA  HA     87 ASN  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1350, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  84 ALA  HA     87 ASN  HB2     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1354, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  84 ALA  HA     87 ASN  HB3     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1355, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  84 ALA  QB     85 ILE  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1323, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1315,1316,1317,
 &end
#
#  84 ALA  QB     85 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=1315,1316,1317,
 igr2=1331,1332,
 &end
#
#  84 ALA  QB     86 ALA  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1315,1316,1317,
 &end
#
#  84 ALA  QB     87 ASN  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1315,1316,1317,
 &end
#
#  84 ALA  QB     87 ASN  QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 igr1=1315,1316,1317,
 igr2=1354,1355,
 &end
#
#  84 ALA  QB     87 ASN  QD2     8.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.42, r4=11.92,
 igr1=1315,1316,1317,
 igr2=1359,1360,
 &end
#
#  85 ILE  HN     85 ILE  HG12    5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1331, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  85 ILE  HN     85 ILE  HG13    5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1332, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  85 ILE  HN     85 ILE  QG1     4.87                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2=1331,1332,
 &end
#
#  85 ILE  HN     85 ILE  QD1     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1334,1335,1336,
 &end
#
#  85 ILE  HN     86 ALA  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1340, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1350, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  85 ILE  HA     87 ASN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1350, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  85 ILE  HA     88 TYR  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1364, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  85 ILE  HA     88 TYR  HB2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1368, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  85 ILE  HA     88 TYR  HB3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1369, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  85 ILE  HA     88 TYR  QB      5.53                
 &rst
  ixpk= 0, nxpk= 0, iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1368,1369,
 &end
#
#  85 ILE  HB     86 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1340, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  85 ILE  HB     87 ASN  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1350, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  85 ILE  QG2    86 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  QG2    86 ALA  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1327,1328,1329,
 igr2=1344,1345,1346,
 &end
#
#  85 ILE  QG2    87 ASN  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  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=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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1327,1328,1329,
 &end
#
#  85 ILE  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=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      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=1331,1332,
 &end
#
#  85 ILE  QD1    86 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1334,1335,1336,
 &end
#
#  85 ILE  QD1    88 TYR  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1334,1335,1336,
 &end
#
#  85 ILE  QD1    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=1334,1335,1336,
 &end
#
#  85 ILE  QD1    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=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  HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, 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     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 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     87 ASN  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1340,1350, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &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      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,1364, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  86 ALA  HA     89 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,1385, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  86 ALA  HA     89 VAL  HB      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1342,1389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &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  HA      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1344,1345,1346,
 &end
#
#  86 ALA  QB     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=1344,1345,1346,
 &end
#
#  86 ALA  QB     89 VAL  QQG    10.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
 igr1=1344,1345,1346,
 igr2=1391,1392,1393,1395,1396,1397,
 &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    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1359, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  87 ASN  HN     87 ASN  HD22    6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1360, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  87 ASN  HN     87 ASN  QD2     6.05                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1359,1360,
 &end
#
#  87 ASN  HN     89 VAL  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1385, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  87 ASN  HN     89 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1391,1392,1393,1395,1396,1397,
 &end
#
#  87 ASN  HN     90 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1401, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  87 ASN  HA     87 ASN  HD21    5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1359, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  87 ASN  HA     87 ASN  HD22    5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1360, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  87 ASN  HA     90 LYS+ HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1401, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  87 ASN  HA     90 LYS+ QE      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1414,1415,
 &end
#
#  87 ASN  HB2    88 TYR  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1364, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &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  HB3    88 TYR  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1364, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &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  QB     90 LYS+ HN      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1=1354,1355,
 &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      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1385, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &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      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1401, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1423, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  88 TYR  HA     91 GLU- HG2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1430, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  88 TYR  HA     91 GLU- HG3     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1431, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  88 TYR  HA     91 GLU- QG      6.24                
 &rst
  ixpk= 0, nxpk= 0, iat=1366,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=1430,1431,
 &end
#
#  88 TYR  HB2    89 VAL  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1385, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  88 TYR  HB3    89 VAL  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1385, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  88 TYR  QB     89 VAL  QQG    10.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69,
 igr1=1368,1369,
 igr2=1391,1392,1393,1395,1396,1397,
 &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      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1374,1379,
 &end
#
#  88 TYR  QE     92 PHE  QD     10.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86,
 igr1=1374,1379,
 igr2=1446,1454,
 &end
#
#  88 TYR  QE     92 PHE  QE     10.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86,
 igr1=1374,1379,
 igr2=1448,1452,
 &end
#
#  88 TYR  QE     92 PHE  HZ      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1374,1379,
 &end
#
#  89 VAL  HN     90 LYS+ HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1401, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  89 VAL  HN     91 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1423, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  89 VAL  HN     92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1446,1454,
 &end
#
#  89 VAL  HN     96 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  89 VAL  HA     92 PHE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,1438, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  89 VAL  HA     92 PHE  QD      8.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
 igr2=1446,1454,
 &end
#
#  89 VAL  HA     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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      7.19                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19,
 igr1=1391,1392,1393,1395,1396,1397,
 &end
#
#  89 VAL  QQG    91 GLU- HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, 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  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  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, 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      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=1408,1409,
 &end
#
#  90 LYS+ HN     90 LYS+ QD      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=1411,1412,
 &end
#
#  90 LYS+ HN     90 LYS+ QE      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr2=1414,1415,
 &end
#
#  90 LYS+ HN     91 GLU- HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,1423, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  90 LYS+ HN     91 GLU- HG2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,1430, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  90 LYS+ HN     91 GLU- HG3     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,1431, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  90 LYS+ HN     91 GLU- QG      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=1430,1431,
 &end
#
#  90 LYS+ HN     92 PHE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,1438, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  90 LYS+ HN     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  90 LYS+ HA     90 LYS+ QD      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr2=1411,1412,
 &end
#
#  90 LYS+ HA     90 LYS+ QE      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1414,1415,
 &end
#
#  90 LYS+ HA     93 SER  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1458, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1405,1406,
 &end
#
#  90 LYS+ QG     91 GLU- HN      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr1=1408,1409,
 &end
#
#  90 LYS+ QG     93 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1408,1409,
 &end
#
#  90 LYS+ QD     91 GLU- HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1423, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1411,1412,
 &end
#
#  90 LYS+ QD     93 SER  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 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- HG2     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1430, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  91 GLU- HN     91 GLU- HG3     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1431, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  91 GLU- HN     92 PHE  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1438, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  91 GLU- HN     92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1446,1454,
 &end
#
#  91 GLU- HN     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  91 GLU- HA     92 PHE  HA      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,1440, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  91 GLU- HA     92 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1446,1454,
 &end
#
#  91 GLU- HA     92 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1448,1452,
 &end
#
#  91 GLU- HA     93 SER  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1425,1458, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  91 GLU- HB2    92 PHE  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1427,1438, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  91 GLU- HB3    92 PHE  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1428,1438, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &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      5.84                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1438, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=1430,1431,
 &end
#
#  92 PHE  HN     92 PHE  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1448,1452,
 &end
#
#  92 PHE  HN     93 SER  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1462,1463,
 &end
#
#  92 PHE  HN     96 LEU  QB      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1509,1510,
 &end
#
#  92 PHE  HN     96 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1438,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 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      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1442,1458, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  92 PHE  HB2    96 LEU  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1442,1505, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &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      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1443,1458, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  92 PHE  HB3    96 LEU  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1443,1505, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &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      5.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1442,1443,
 &end
#
#  92 PHE  QB     96 LEU  HN      5.76                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 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      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
 igr1=1446,1454,
 &end
#
#  92 PHE  QE     93 SER  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 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  QB      7.03                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr2=1476,1477,
 &end
#
#  93 SER  HN     95 LYS+ HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1483, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  93 SER  HN     96 LEU  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1505, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  93 SER  HN     96 LEU  HB2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1509, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  93 SER  HN     96 LEU  HB3     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1510, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  93 SER  HN     96 LEU  QB      6.04                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr2=1509,1510,
 &end
#
#  93 SER  HN     96 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  93 SER  HA     95 LYS+ HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1483, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  93 SER  HA     96 LEU  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1505, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  93 SER  QB     95 LYS+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1483, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1462,1463,
 &end
#
#  93 SER  QB     96 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 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      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1479,1505, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  94 PRO  HD2    96 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1505, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  94 PRO  HD3    96 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1471,1505, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  95 LYS+ HN     95 LYS+ QG      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2=1490,1491,
 &end
#
#  95 LYS+ HN     95 LYS+ QD      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=1493,1494,
 &end
#
#  95 LYS+ HN     96 LEU  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1483,1505, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  95 LYS+ HN     96 LEU  QB      6.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2=1509,1510,
 &end
#
#  95 LYS+ HA     95 LYS+ QD      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1493,1494,
 &end
#
#  95 LYS+ QG     96 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1490,1491,
 &end
#
#  95 LYS+ QD     96 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1505, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1493,1494,
 &end
#
#  96 LEU  HN     96 LEU  HG      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1512, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  96 LEU  HN     96 LEU  QD1     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=1514,1515,1516,
 &end
#
#  96 LEU  HN     96 LEU  QD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=1518,1519,1520,
 &end
#
#  96 LEU  HN     96 LEU  QQD     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1518,1519,1520,1514,1515,1516,
 &end
#
#  96 LEU  HN     97 VAL  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1524, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  96 LEU  HA     96 LEU  QD1     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=1514,1515,1516,
 &end
#
#  96 LEU  HA     96 LEU  QD2     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=1518,1519,1520,
 &end
#
#  96 LEU  HB2    97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1509,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  96 LEU  HB3    97 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1510,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  96 LEU  QB     97 VAL  HN      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1509,1510,
 &end
#
#  96 LEU  QD1    97 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1514,1515,1516,
 &end
#
#  96 LEU  QD2    97 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1518,1519,1520,
 &end
#
#  97 VAL  HN     98 GLY  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1524,1540, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &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     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=1528,  -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  97 VAL  QQG    98 GLY  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1530,1531,1532,1534,1535,1536,
 &end
#
#  98 GLY  HN     99 LEU  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1540,1547, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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
#
#  98 GLY  QA     99 LEU  QQD    10.05                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
 igr1=1542,1543,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  99 LEU  HN     99 LEU  HG      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1547,1554, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  99 LEU  HN     99 LEU  QD1     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1547,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1556,1557,1558,
 &end
#
#  99 LEU  HN     99 LEU  QD2     6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1547,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1560,1561,1562,
 &end
#
#  99 LEU  HN     99 LEU  QQD     6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=1547,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2=1560,1561,1562,1556,1557,1558,
 &end
#
#  99 LEU  HN    100 THR  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1547,1566, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  99 LEU  HA     99 LEU  QD1     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1549,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2=1556,1557,1558,
 &end
#
#  99 LEU  HA     99 LEU  QD2     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1549,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 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      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1551,1566, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  99 LEU  HB3   100 THR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1552,1566, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  99 LEU  QB    100 THR  HN      5.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1551,1552,
 &end
#
#  99 LEU  HG    100 THR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1554,1566, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &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      7.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 9.81, r4=10.31,
 igr1=1560,1561,1562,1556,1557,1558,
 &end
#
# 100 THR  HN    100 THR  HG1     5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1566,1576, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 100 THR  HN    101 GLY  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1566,1580, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 100 THR  HA    106 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat=1568,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr2=1661,1662,1663,1665,1666,1667,
 &end
#
# 100 THR  HB    101 GLY  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1570,1580, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 100 THR  QG2   101 GLY  HN      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1=1572,1573,1574,
 &end
#
# 100 THR  HG1   101 GLY  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1576,1580, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 101 GLY  HN    102 THR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1587, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 101 GLY  HN    102 THR  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 101 GLY  HN    102 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1593,1594,1595,
 &end
#
# 101 GLY  HN    105 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1647,1648,
 &end
#
# 101 GLY  HN    106 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 101 GLY  HN    106 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=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  HA2   102 THR  QG2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1593,1594,1595,
 &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   102 THR  QG2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1593,1594,1595,
 &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     5.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
 igr1=1582,1583,
 igr2=1593,1594,1595,
 &end
#
# 102 THR  HN    102 THR  HG1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1597, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 102 THR  HN    103 ARG+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1601, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 102 THR  HN    105 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 102 THR  HN    105 GLU- HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1642, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1647,1648,
 &end
#
# 102 THR  HN    106 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1587,1655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1625, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 102 THR  HA    105 GLU- HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1589,1640, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 102 THR  HB    103 ARG+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1591,1601, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 102 THR  QG2   103 ARG+ HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1601, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1=1593,1594,1595,
 &end
#
# 102 THR  QG2   104 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1593,1594,1595,
 &end
#
# 102 THR  QG2   105 GLU- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1593,1594,1595,
 &end
#
# 102 THR  QG2   105 GLU- QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=1593,1594,1595,
 igr2=1644,1645,
 &end
#
# 102 THR  QG2   105 GLU- QG      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=1593,1594,1595,
 igr2=1647,1648,
 &end
#
# 102 THR  HG1   103 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1601, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 102 THR  HG1   104 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1625, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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+ HG2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1608, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 103 ARG+ HN    103 ARG+ HG3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1609, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 103 ARG+ HN    103 ARG+ QG      5.43                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1608,1609,
 &end
#
# 103 ARG+ HN    103 ARG+ HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1611, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HN    103 ARG+ HD3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1612, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HN    103 ARG+ QD      6.25                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr2=1611,1612,
 &end
#
# 103 ARG+ HN    104 GLU- HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1625, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HN    106 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1655, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HN    106 VAL  HB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1601,1659, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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+ HD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 103 ARG+ HA    103 ARG+ HD3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 103 ARG+ HA    103 ARG+ QD      5.28                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HA    106 VAL  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1655, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 103 ARG+ HA    106 VAL  HB      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1659, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1603,1671, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ QB    103 ARG+ HE      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1605,1606,
 &end
#
# 103 ARG+ QG    104 GLU- HN      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1=1608,1609,
 &end
#
# 103 ARG+ HD2   104 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1625, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 103 ARG+ HD3   104 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1612,1625, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 104 GLU- HN    105 GLU- HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1625,1640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 104 GLU- HN    105 GLU- QG      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1647,1648,
 &end
#
# 104 GLU- HN    106 VAL  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1661,1662,1663,
 &end
#
# 104 GLU- HN    106 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1665,1666,1667,
 &end
#
# 104 GLU- HA    107 ASP- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1627,1671, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 104 GLU- HA    107 ASP- HB2     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1627,1675, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 GLU- HA    107 ASP- HB3     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1627,1676, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 GLU- HN    105 GLU- QG      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=1647,1648,
 &end
#
# 105 GLU- HN    106 VAL  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1640,1655, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1642,1671, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 105 GLU- QB    108 GLN  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1644,1645,
 &end
#
# 105 GLU- QG    106 VAL  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1647,1648,
 &end
#
# 105 GLU- QG    107 ASP- HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1671, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=1647,1648,
 &end
#
# 106 VAL  HA    108 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1683, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1704, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &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      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1659,1671, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &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   108 GLN  HN      5.66                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 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   109 VAL  QQG    11.32                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=20.57, r4=21.07,
 igr1=1661,1662,1663,1665,1666,1667,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
# 106 VAL  QQG   110 ALA  QB      9.66                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.64, r4=16.14,
 igr1=1661,1662,1663,1665,1666,1667,
 igr2=1720,1721,1722,
 &end
#
# 107 ASP- HN    108 GLN  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1683, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 107 ASP- HN    109 VAL  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1700, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 107 ASP- HA    110 ALA  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1673,1716, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 107 ASP- HA    110 ALA  QB      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 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      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1675,1683, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 107 ASP- HB3   108 GLN  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1676,1683, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 108 GLN  HN    108 GLN  HG2     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1690, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 108 GLN  HN    108 GLN  HG3     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1691, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 108 GLN  HN    108 GLN  HE21    6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1695, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 108 GLN  HN    108 GLN  HE22    6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1696, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 108 GLN  HN    108 GLN  QE2     5.94                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=1695,1696,
 &end
#
# 108 GLN  HN    109 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1700, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 108 GLN  HN    109 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 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      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,1726, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 108 GLN  HN    111 ARG+ QD      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=1736,1737,
 &end
#
# 108 GLN  HA    108 GLN  QE2     5.57                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr2=1695,1696,
 &end
#
# 108 GLN  HA    110 ALA  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1716, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 108 GLN  HA    111 ARG+ QD      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2=1736,1737,
 &end
#
# 108 GLN  HA    111 ARG+ QD      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2=1736,1737,
 &end
#
# 108 GLN  HB2   108 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 108 GLN  HB2   108 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1696, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 108 GLN  HB2   109 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1700, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 108 GLN  HB2   109 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1706,1707,1708,
 &end
#
# 108 GLN  HB2   109 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1710,1711,1712,
 &end
#
# 108 GLN  HB2   112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
# 108 GLN  HB3   108 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1688,1695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 108 GLN  HB3   108 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1688,1696, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 108 GLN  HB3   109 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1688,1700, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 108 GLN  HB3   109 VAL  QG1    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1688,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1706,1707,1708,
 &end
#
# 108 GLN  HB3   109 VAL  QG2    10.72                
 &rst
  ixpk= 0, nxpk= 0, iat=1688,  -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
 igr2=1710,1711,1712,
 &end
#
# 108 GLN  HB3   112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1688,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
# 108 GLN  QB    109 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=1687,1688,
 igr2=1706,1707,1708,1710,1711,1712,
 &end
#
# 108 GLN  QB    112 ALA  HN      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1687,1688,
 &end
#
# 108 GLN  HG2   109 VAL  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,1700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 108 GLN  HG2   112 ALA  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,1750, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 108 GLN  HG2   112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1690,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &end
#
# 108 GLN  HG3   109 VAL  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1691,1700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 108 GLN  HG3   112 ALA  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1691,1750, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 108 GLN  HG3   112 ALA  QB      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1691,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1754,1755,1756,
 &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      7.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
 igr1=1695,1696,
 &end
#
# 108 GLN  QE2   112 ALA  QB      6.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.40, r4= 9.90,
 igr1=1695,1696,
 igr2=1754,1755,1756,
 &end
#
# 109 VAL  HN    110 ALA  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1700,1716, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 109 VAL  HN    111 ARG+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1700,1726, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 109 VAL  HA    112 ALA  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1750, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 109 VAL  HA    112 ALA  QB      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 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      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1704,1716, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 109 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=1706,1707,1708,
 &end
#
# 109 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=1710,1711,1712,
 &end
#
# 109 VAL  QQG   110 ALA  HN      6.85                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73,
 igr1=1706,1707,1708,1710,1711,1712,
 &end
#
# 109 VAL  QQG   112 ALA  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 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      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1726, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 110 ALA  HN    111 ARG+ HB2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1730, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 110 ALA  HN    111 ARG+ HB3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1731, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 110 ALA  HN    111 ARG+ QB      5.06                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1730,1731,
 &end
#
# 110 ALA  HN    112 ALA  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,1750, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 110 ALA  HN    112 ALA  QB      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1750, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 110 ALA  HA    113 TYR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1760, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 110 ALA  HA    113 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1768,1777,
 &end
#
# 110 ALA  HA    115 VAL  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1805, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 110 ALA  HA    115 VAL  HB      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1809, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &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    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=1720,1721,1722,
 igr2=1811,1812,1813,1815,1816,1817,
 &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+ QG      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2=1733,1734,
 &end
#
# 111 ARG+ HN    111 ARG+ HD2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1736, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 111 ARG+ HN    111 ARG+ HD3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1737, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 111 ARG+ HN    111 ARG+ QD      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1736,1737,
 &end
#
# 111 ARG+ HN    112 ALA  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1750, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 111 ARG+ HA    111 ARG+ HD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1728,1736, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 111 ARG+ HA    111 ARG+ HD3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1728,1737, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 111 ARG+ HA    111 ARG+ QD      4.99                
 &rst
  ixpk= 0, nxpk= 0, iat=1728,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1736,1737,
 &end
#
# 111 ARG+ HA    111 ARG+ QD      4.99                
 &rst
  ixpk= 0, nxpk= 0, iat=1728,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1736,1737,
 &end
#
# 111 ARG+ HB2   111 ARG+ HD2     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1736, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 111 ARG+ HB2   111 ARG+ HD3     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1737, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 111 ARG+ HB2   112 ALA  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 ARG+ HB3   111 ARG+ HD2     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1731,1736, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 111 ARG+ HB3   111 ARG+ HD3     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1731,1737, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 111 ARG+ HB3   112 ALA  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1731,1750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 ARG+ QB    111 ARG+ QD      3.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1730,1731,
 igr2=1736,1737,
 &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+ HD2   112 ALA  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1736,1750, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 111 ARG+ HD3   112 ALA  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1750, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 111 ARG+ QD    112 ALA  HN      6.09                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1=1736,1737,
 &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1750,1781, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1760, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 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      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1754,1755,1756,
 &end
#
# 113 TYR  HN    113 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1760,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=1770,1775,
 &end
#
# 113 TYR  HN    114 ARG+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1760,1781, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &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  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1760,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1811,1812,1813,
 &end
#
# 113 TYR  HN    115 VAL  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1760,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=1815,1816,1817,
 &end
#
# 113 TYR  HA    115 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1762,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=1811,1812,1813,1815,1816,1817,
 &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  QB    115 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=1764,1765,
 igr2=1811,1812,1813,1815,1816,1817,
 &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  QD    137 TYR  QD     10.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86,
 igr1=1768,1777,
 igr2=2159,2168,
 &end
#
# 113 TYR  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=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    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+ QD      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1781,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=1791,1792,
 &end
#
# 114 ARG+ HN    115 VAL  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1781,1805, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &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      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1783,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr2=1791,1792,
 &end
#
# 114 ARG+ HA    115 VAL  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1783,1805, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 115 VAL  HA    116 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1829,1838,
 &end
#
# 115 VAL  HA    133 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2088,2089,2090,
 &end
#
# 115 VAL  HB    116 TYR  HA      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1809,1823, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 115 VAL  QG1   116 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1821, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1811,1812,1813,
 &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  QG1   133 THR  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1811,1812,1813,
 igr2=2088,2089,2090,
 &end
#
# 115 VAL  QG2   116 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1821, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=1815,1816,1817,
 &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  QG2   133 THR  QG2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=1815,1816,1817,
 igr2=2088,2089,2090,
 &end
#
# 115 VAL  QQG   116 TYR  HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1823, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1811,1812,1813,1815,1816,1817,
 &end
#
# 115 VAL  QQG   117 TYR  HA      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1844, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr1=1811,1812,1813,1815,1816,1817,
 &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  HN      9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2082, 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  HA    117 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1823,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=1850,1859,
 &end
#
# 116 TYR  QD    117 TYR  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1842, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1829,1838,
 &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    117 TYR  HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1842, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1831,1836,
 &end
#
# 116 TYR  QE    117 TYR  HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1844, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1831,1836,
 &end
#
# 116 TYR  QE    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=1831,1836,
 &end
#
# 116 TYR  QE    118 SER  HB2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1867, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1831,1836,
 &end
#
# 116 TYR  QE    118 SER  HB3     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1831,1836,
 &end
#
# 116 TYR  QE    131 ASP- HN      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1831,1836,
 &end
#
# 116 TYR  QE    131 ASP- HB2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2057, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1831,1836,
 &end
#
# 116 TYR  QE    131 ASP- HB3     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2058, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=1831,1836,
 &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  HN    117 TYR  QE      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1842,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=1852,1857,
 &end
#
# 117 TYR  HA    130 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1844,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=2043,2044,2045,2047,2048,2049,
 &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  HA    133 THR  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1844,2082, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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  QB    132 HIS  QB      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1=1846,1847,
 igr2=2069,2070,
 &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     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
# 118 SER  HN    131 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,2053, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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    131 ASP- QB      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2=2057,2058,
 &end
#
# 118 SER  HN    132 HIS  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1863,2067, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 118 SER  HB2   131 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1867,2053, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1868,2053, 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
#
# 118 SER  QB    131 ASP- QB      6.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
 igr1=1867,1868,
 igr2=2057,2058,
 &end
#
# 119 PRO  HB2   130 VAL  QG1     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1881,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=2043,2044,2045,
 &end
#
# 119 PRO  HB2   130 VAL  QG2     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1881,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=2047,2048,2049,
 &end
#
# 119 PRO  HB3   130 VAL  QG1     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1882,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=2043,2044,2045,
 &end
#
# 119 PRO  HB3   130 VAL  QG2     9.35                
 &rst
  ixpk= 0, nxpk= 0, iat=1882,  -1, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
 igr2=2047,2048,2049,
 &end
#
# 119 PRO  QB    128 TYR  QD      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=1881,1882,
 igr2=2005,2014,
 &end
#
# 119 PRO  QB    128 TYR  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=1881,1882,
 igr2=2007,2012,
 &end
#
# 119 PRO  QB    130 VAL  QQG     7.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.91, r4=12.41,
 igr1=1881,1882,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
# 119 PRO  QG    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=1878,1879,
 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
#
# 120 GLY  HN    131 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1888,2053, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 121 PRO  HA    122 LYS+ HG2     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1905,1916, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 121 PRO  HA    122 LYS+ HG3     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1905,1917, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 121 PRO  HA    122 LYS+ QG      5.25                
 &rst
  ixpk= 0, nxpk= 0, iat=1905,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=1916,1917,
 &end
#
# 121 PRO  QB    122 LYS+ HN      4.45                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1909, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1902,1903,
 &end
#
# 122 LYS+ HN    122 LYS+ HG2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1916, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 122 LYS+ HN    122 LYS+ HG3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1917, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 122 LYS+ HN    122 LYS+ QG      5.18                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1916,1917,
 &end
#
# 122 LYS+ HN    122 LYS+ QD      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,  -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr2=1919,1920,
 &end
#
# 122 LYS+ HN    122 LYS+ HE2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1922, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 122 LYS+ HN    122 LYS+ HE3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1923, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 122 LYS+ HN    123 ASP- HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1909,1931, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &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+ HA    122 LYS+ QD      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1911,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1919,1920,
 &end
#
# 122 LYS+ HA    122 LYS+ HE2     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1911,1922, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 122 LYS+ HA    122 LYS+ HE3     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1911,1923, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 122 LYS+ QB    122 LYS+ HE2     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1922, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    122 LYS+ HE3     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    122 LYS+ QE      5.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
 igr1=1913,1914,
 igr2=1922,1923,
 &end
#
# 122 LYS+ QB    123 ASP- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1931, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    126 GLU- HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1913,1914,
 &end
#
# 122 LYS+ QB    126 GLU- HA      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1972, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 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+ QB    128 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=1913,1914,
 igr2=2007,2012,
 &end
#
# 122 LYS+ HG2   123 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1916,1931, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 122 LYS+ HG2   128 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 122 LYS+ HG2   128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &end
#
# 122 LYS+ HG3   123 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1917,1931, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 122 LYS+ HG3   128 TYR  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1917,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 122 LYS+ HG3   128 TYR  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1917,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2007,2012,
 &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      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1972, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1919,1920,
 &end
#
# 122 LYS+ QD    128 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=1919,1920,
 igr2=2007,2012,
 &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      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 122 LYS+ HE2   128 TYR  QE      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
 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      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2005,2014,
 &end
#
# 122 LYS+ HE3   128 TYR  QE      8.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
 igr2=2007,2012,
 &end
#
# 122 LYS+ QE    123 ASP- HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1931, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1922,1923,
 &end
#
# 122 LYS+ QE    128 TYR  QD      8.46                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.66, r4=11.16,
 igr1=1922,1923,
 igr2=2005,2014,
 &end
#
# 123 ASP- HN    125 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1931,1958, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 123 ASP- HN    126 GLU- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1931,1970, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 123 ASP- HN    126 GLU- HA      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1931,1972, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &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      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1935,1943, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 123 ASP- HB3   124 GLU- HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1936,1943, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 123 ASP- QB    125 ASP- HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1958, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=1935,1936,
 &end
#
# 124 GLU- HN    124 GLU- QG      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1943,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1950,1951,
 &end
#
# 124 GLU- HN    125 ASP- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=1943,1958, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 124 GLU- HN    126 GLU- HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1943,1970, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 124 GLU- HA    126 GLU- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1945,1970, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 124 GLU- HB2   125 ASP- HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1947,1958, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 124 GLU- HB3   125 ASP- HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1948,1958, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 124 GLU- QG    125 ASP- HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1958, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1=1950,1951,
 &end
#
# 125 ASP- HN    126 GLU- HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1970, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 125 ASP- HN    126 GLU- HA      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1972, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 125 ASP- HN    127 ASP- HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1985, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 125 ASP- HN    127 ASP- HB2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1989, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 125 ASP- HN    127 ASP- HB3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,1990, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 125 ASP- HN    127 ASP- QB      4.93                
 &rst
  ixpk= 0, nxpk= 0, iat=1958,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1989,1990,
 &end
#
# 125 ASP- HA    126 GLU- HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1960,1970, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 126 GLU- HN    126 GLU- QG      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=1977,1978,
 &end
#
# 126 GLU- HN    127 ASP- HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1970,1985, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 126 GLU- HN    127 ASP- HB2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1970,1989, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 126 GLU- HN    127 ASP- HB3     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1970,1990, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 126 GLU- HN    127 ASP- QB      4.47                
 &rst
  ixpk= 0, nxpk= 0, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1989,1990,
 &end
#
# 126 GLU- HB2   127 ASP- HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1974,1985, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 126 GLU- HB3   127 ASP- HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1975,1985, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 127 ASP- HN    128 TYR  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1985,1997, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &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      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1989,1997, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 127 ASP- HB3   128 TYR  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1990,1997, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &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      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1997,2018, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 128 TYR  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=2001,2002,
 igr2=2043,2044,2045,2047,2048,2049,
 &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
#
# 128 TYR  QE    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=2007,2012,
 igr2=2043,2044,2045,
 &end
#
# 128 TYR  QE    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=2007,2012,
 igr2=2047,2048,2049,
 &end
#
# 129 ILE  HN    129 ILE  HG12    5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2018,2028, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 129 ILE  HN    129 ILE  HG13    5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2018,2029, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 129 ILE  HN    129 ILE  QG1     5.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2018,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=2028,2029,
 &end
#
# 129 ILE  HN    129 ILE  QD1     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2018,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=2031,2032,2033,
 &end
#
# 129 ILE  HA    130 VAL  QQG     9.16                
 &rst
  ixpk= 0, nxpk= 0, iat=2020,  -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
 igr2=2043,2044,2045,2047,2048,2049,
 &end
#
# 129 ILE  HB    130 VAL  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2022,2037, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 130 VAL  HB    132 HIS  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2041,2078, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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  QG1   131 ASP- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2055, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2043,2044,2045,
 &end
#
# 130 VAL  QG1   132 HIS  HD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2078, 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  QG2   131 ASP- HA      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2055, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2047,2048,2049,
 &end
#
# 130 VAL  QG2   132 HIS  HD2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2078, 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     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2053,2078, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 131 ASP- HB2   132 HIS  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2057,2065, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 131 ASP- HB3   132 HIS  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2058,2065, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 132 HIS  HN    132 HIS  HD2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2078, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 132 HIS  HN    132 HIS  HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2075, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 132 HIS  HN    133 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2082, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 132 HIS  HN    133 THR  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2065,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2088,2089,2090,
 &end
#
# 132 HIS  HA    132 HIS  HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2067,2078, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 132 HIS  HA    133 THR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2067,2084, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2069,2082, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 132 HIS  HB3   133 THR  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2070,2082, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 132 HIS  QB    133 THR  HN      5.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2082, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=2069,2070,
 &end
#
# 133 THR  HB    134 ILE  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2086,2096, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 133 THR  QG2   134 ILE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2096, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2088,2089,2090,
 &end
#
# 134 ILE  HN    134 ILE  HG12    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2096,2106, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 134 ILE  HN    134 ILE  HG13    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2096,2107, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 134 ILE  HN    134 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2096,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2106,2107,
 &end
#
# 134 ILE  HN    134 ILE  QD1     6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2096,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2=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
#
# 135 ILE  HN    135 ILE  HG12    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2115,2125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 135 ILE  HN    135 ILE  HG13    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2115,2126, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 135 ILE  HN    135 ILE  QG1     5.36                
 &rst
  ixpk= 0, nxpk= 0, iat=2115,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=2125,2126,
 &end
#
# 135 ILE  HN    135 ILE  QD1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2115,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 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      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=2161,2166,
 &end
#
# 135 ILE  QG2   148 TYR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2316, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &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      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=2326,2331,
 &end
#
# 135 ILE  QG2   149 PHE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2337, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2121,2122,2123,
 &end
#
# 135 ILE  QG2   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=2121,2122,2123,
 igr2=2345,2353,
 &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
#
# 135 ILE  QD1   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=2128,2129,2130,
 igr2=2345,2353,
 &end
#
# 136 MET  HN    136 MET  HG2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,2141, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 136 MET  HN    136 MET  HG3     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,2142, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &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      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2134,2337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &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  QB      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat=2136,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2=2155,2156,
 &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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2138,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2145,2146,2147,
 &end
#
# 136 MET  HB2   137 TYR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2138,2151, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 136 MET  HB3   136 MET  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2139,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2=2145,2146,2147,
 &end
#
# 136 MET  HB3   137 TYR  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2139,2151, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &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  HG2   149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2141,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2351,
 &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  HG3   149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2142,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2351,
 &end
#
# 136 MET  QG    137 TYR  HN      6.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1=2141,2142,
 &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
#
# 136 MET  QE    149 PHE  QE      9.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
 igr1=2145,2146,2147,
 igr2=2347,2351,
 &end
#
# 136 MET  QE    149 PHE  HZ      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2349, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2145,2146,2147,
 &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2151,2172, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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    147 ASP- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2304, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 137 TYR  HA    148 TYR  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2318, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,2337, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 137 TYR  HA    149 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2153,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2345,2353,
 &end
#
# 137 TYR  HB2   138 LEU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2155,2172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &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      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2156,2172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &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      7.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2174, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 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    139 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=2159,2168,
 igr2=2204,2205,2206,
 &end
#
# 137 TYR  QD    145 PHE  QE     10.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.36, r4=13.86,
 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    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=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  QD1     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=2181,2182,2183,
 &end
#
# 138 LEU  HN    138 LEU  QD2     7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2=2185,2186,2187,
 &end
#
# 138 LEU  HN    138 LEU  QQD     6.51                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
 igr2=2185,2186,2187,2181,2182,2183,
 &end
#
# 138 LEU  HN    139 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2191, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 LEU  HN    148 TYR  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2318, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 138 LEU  HN    148 TYR  HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=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  HN    148 TYR  QB      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=2320,2321,
 &end
#
# 138 LEU  HA    138 LEU  QD1     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2=2181,2182,2183,
 &end
#
# 138 LEU  HA    138 LEU  QD2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2176,2304, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2304, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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    147 ASP- HN      6.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 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     8.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.89, r4=11.39,
 igr1=2176,2177,
 igr2=2548,2549,2550,
 &end
#
# 138 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=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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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   146 LEU  HN      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2285, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 igr1=2185,2186,2187,2181,2182,2183,
 &end
#
# 138 LEU  QQD   146 LEU  QQD    11.04                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=20.06, r4=20.56,
 igr1=2185,2186,2187,2181,2182,2183,
 igr2=2298,2299,2300,2294,2295,2296,
 &end
#
# 138 LEU  QQD   147 ASP- HA      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2306, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
 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  QG2     9.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.33, r4=15.83,
 igr1=2185,2186,2187,2181,2182,2183,
 igr2=2541,2542,2543,
 &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    6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,2201, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 139 ILE  HN    139 ILE  HG13    6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,2202, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 139 ILE  HN    139 ILE  QD1     6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2=2204,2205,2206,
 &end
#
# 139 ILE  HN    140 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2191,2210, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2193,2304, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 139 ILE  HB    140 GLY  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2210, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 139 ILE  HB    143 GLY  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2243, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2210, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2197,2198,2199,
 &end
#
# 139 ILE  QG2   143 GLY  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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   143 GLY  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2201,2202,
 &end
#
# 139 ILE  QG1   143 GLY  QA      6.85                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13,
 igr1=2201,2202,
 igr2=2245,2246,
 &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  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2265, 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      9.60                
 &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=2275,2279,
 &end
#
# 139 ILE  QD1   146 LEU  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2210,2267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 140 GLY  HN    146 LEU  QQD     9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2227,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 141 PRO  HB2   143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2224,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 141 PRO  HB3   143 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2225,2243, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 141 PRO  QD    142 ASP- HN      4.95                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=2218,2219,
 &end
#
# 142 ASP- HN    143 GLY  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2231,2243, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 142 ASP- HN    143 GLY  HA2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2231,2245, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 142 ASP- HN    143 GLY  HA3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2231,2246, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 142 ASP- HN    143 GLY  QA      4.43                
 &rst
  ixpk= 0, nxpk= 0, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=2245,2246,
 &end
#
# 142 ASP- HN    144 GLU- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2231,2250, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 142 ASP- HB2   143 GLY  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2235,2243, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 142 ASP- HB3   143 GLY  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2236,2243, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 143 GLY  HN    144 GLU- HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2243,2250, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 144 GLU- HN    144 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2250,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2257,2258,
 &end
#
# 144 GLU- QG    145 PHE  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2265, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2257,2258,
 &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2265,2285, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 145 PHE  HB2   146 LEU  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2269,2285, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 145 PHE  HB3   146 LEU  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2270,2285, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 145 PHE  QB    146 LEU  HA      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=2269,2270,
 &end
#
# 145 PHE  QE    147 ASP- HA      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2275,2279,
 &end
#
# 146 LEU  HN    146 LEU  HG      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,2292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 146 LEU  HN    146 LEU  QD1     6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2=2294,2295,2296,
 &end
#
# 146 LEU  HN    146 LEU  QD2     6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2=2298,2299,2300,
 &end
#
# 146 LEU  HN    146 LEU  QQD     6.41                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr2=2298,2299,2300,2294,2295,2296,
 &end
#
# 146 LEU  HN    147 ASP- HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2285,2304, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 146 LEU  HA    146 LEU  QD1     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2294,2295,2296,
 &end
#
# 146 LEU  HA    146 LEU  QD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2298,2299,2300,
 &end
#
# 146 LEU  HA    147 ASP- QB      5.18                
 &rst
  ixpk= 0, nxpk= 0, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 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  HB2   147 ASP- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2289,2304, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 146 LEU  HB3   147 ASP- HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2290,2304, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 146 LEU  QB    147 ASP- HN      5.64                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1=2289,2290,
 &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      9.17                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2304, 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 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      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2304,2316, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 147 ASP- HN    149 PHE  QE      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2304,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2347,2351,
 &end
#
# 147 ASP- HN    165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2304,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 147 ASP- HA    165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2306,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 147 ASP- HB2   148 TYR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2308,2316, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 147 ASP- HB2   162 ILE  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2308,2537, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 147 ASP- HB2   165 HIST HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2308,2591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 147 ASP- HB2   165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2308,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 147 ASP- HB3   148 TYR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2309,2316, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 147 ASP- HB3   162 ILE  HA      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2309,2537, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 147 ASP- HB3   165 HIST HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2309,2591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 147 ASP- HB3   165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2309,2587, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 147 ASP- QB    149 PHE  QE      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=2308,2309,
 igr2=2347,2351,
 &end
#
# 147 ASP- QB    162 ILE  QG2     7.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
 igr1=2308,2309,
 igr2=2541,2542,2543,
 &end
#
# 147 ASP- QB    162 ILE  QG1     8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
 igr1=2308,2309,
 igr2=2545,2546,
 &end
#
# 148 TYR  HN    148 TYR  QE      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2326,2331,
 &end
#
# 148 TYR  HN    149 PHE  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2316,2337, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 148 TYR  HN    149 PHE  QD      8.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 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  HN    149 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2316,2349, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 148 TYR  HA    149 PHE  QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2318,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2=2345,2353,
 &end
#
# 148 TYR  HA    149 PHE  HZ      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2318,2349, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 148 TYR  HB2   149 PHE  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2320,2337, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 148 TYR  HB3   149 PHE  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2321,2337, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2337,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 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      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2341,2357, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 149 PHE  HB3   150 GLY  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2342,2357, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 149 PHE  QB    153 LYS+ QB      5.25                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 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      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 igr1=2345,2353,
 igr2=2402,2403,
 &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  HB2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2528, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2345,2353,
 &end
#
# 149 PHE  QD    161 SER  HB3     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2529, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2345,2353,
 &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      9.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
 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  HB2     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2528, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2351,
 &end
#
# 149 PHE  QE    161 SER  HB3     8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2529, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2347,2351,
 &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
#
# 149 PHE  HZ    162 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2349,2535, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 150 GLY  HN    151 GLN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2357,2364, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=2357,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr2=2402,2403,
 &end
#
# 150 GLY  QA    153 LYS+ HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2395, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2359,2360,
 &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      6.01                
 &rst
  ixpk= 0, nxpk= 0, iat=2364,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 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      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2364,2381, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &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    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2368,2376, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HB2   151 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2368,2377, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HB2   152 ASN  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2368,2381, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 151 GLN  HB3   151 GLN  HE21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2369,2376, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HB3   151 GLN  HE22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2369,2377, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HB3   152 ASN  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2369,2381, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 151 GLN  QB    152 ASN  HN      4.37                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2381, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=2368,2369,
 &end
#
# 151 GLN  HG2   152 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2371,2381, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  HG3   152 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2372,2381, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 151 GLN  QG    152 ASN  HN      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2381, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=2371,2372,
 &end
#
# 152 ASN  HN    152 ASN  HD21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2381,2390, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 152 ASN  HN    152 ASN  HD22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2381,2391, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 152 ASN  HN    153 LYS+ HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2381,2395, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 152 ASN  HA    152 ASN  HD21    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2383,2390, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 152 ASN  HA    152 ASN  HD22    6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2383,2391, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 152 ASN  HB2   153 LYS+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2385,2395, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 152 ASN  HB3   153 LYS+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2386,2395, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 152 ASN  QD2   153 LYS+ HN      5.07                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2395, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=2390,2391,
 &end
#
# 153 LYS+ HN    153 LYS+ HG2     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,2402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 153 LYS+ HN    153 LYS+ HG3     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,2403, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 153 LYS+ HN    153 LYS+ QG      4.82                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=2402,2403,
 &end
#
# 153 LYS+ HN    153 LYS+ QE      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr2=2408,2409,
 &end
#
# 153 LYS+ HN    154 ARG+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2395,2417, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &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      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2397,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=2408,2409,
 &end
#
# 153 LYS+ HA    157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2397,2470, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 153 LYS+ HB2   153 LYS+ QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2399,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2408,2409,
 &end
#
# 153 LYS+ HB2   154 ARG+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2399,2417, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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   154 ARG+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2400,2417, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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      6.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,
 igr1=2399,2400,
 igr2=2408,2409,
 &end
#
# 153 LYS+ QB    154 ARG+ HN      5.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2417, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=2399,2400,
 &end
#
# 153 LYS+ QG    154 ARG+ HN      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2417, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr1=2402,2403,
 &end
#
# 154 ARG+ HN    154 ARG+ HG2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,2424, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 154 ARG+ HN    154 ARG+ HG3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,2425, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 154 ARG+ HN    154 ARG+ QG      5.03                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2=2424,2425,
 &end
#
# 154 ARG+ HN    154 ARG+ QD      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=2427,2428,
 &end
#
# 154 ARG+ HN    157 GLU- HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,2470, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 154 ARG+ HN    157 GLU- QG      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2417,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2477,2478,
 &end
#
# 154 ARG+ HA    154 ARG+ QD      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2419,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 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      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2421,2463, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &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      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2422,2463, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 154 ARG+ HG2   155 LYS+ HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2424,2441, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 154 ARG+ HG3   155 LYS+ HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2425,2441, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 154 ARG+ QG    155 LYS+ HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2441, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1=2424,2425,
 &end
#
# 154 ARG+ QD    155 LYS+ HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2441, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 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      7.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.55, r4=10.05,
 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+ QG      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2448,2449,
 &end
#
# 155 LYS+ HN    155 LYS+ HD2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2451, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 155 LYS+ HN    155 LYS+ HD3     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2452, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 155 LYS+ HN    155 LYS+ QD      5.49                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=2451,2452,
 &end
#
# 155 LYS+ HN    155 LYS+ QE      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2=2454,2455,
 &end
#
# 155 LYS+ HN    156 GLY  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2463, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HN    156 GLY  HA2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2465, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HN    156 GLY  HA3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2466, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HN    156 GLY  QA      6.29                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2441,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 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     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 155 LYS+ HA    155 LYS+ HD3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 155 LYS+ HA    155 LYS+ QD      5.55                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=2451,2452,
 &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      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2485, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 155 LYS+ HA    158 ILE  HB      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2443,2489, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &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      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2454,2455,
 &end
#
# 155 LYS+ HB2   156 GLY  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,2463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 155 LYS+ HB2   157 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2445,2470, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 155 LYS+ HB3   155 LYS+ QE      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2446,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2454,2455,
 &end
#
# 155 LYS+ HB3   156 GLY  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2446,2463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 155 LYS+ HB3   157 GLU- HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2446,2470, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 155 LYS+ QB    156 GLY  HN      5.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2463, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=2445,2446,
 &end
#
# 155 LYS+ QB    157 GLU- HN      5.69                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2470, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=2445,2446,
 &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      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2451,2463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 155 LYS+ HD2   156 GLY  HA2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2451,2465, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HD2   156 GLY  HA3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2451,2466, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HD2   157 GLU- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2451,2470, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 155 LYS+ HD3   156 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2452,2463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 155 LYS+ HD3   156 GLY  HA2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2452,2465, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HD3   156 GLY  HA3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2452,2466, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 155 LYS+ HD3   157 GLU- HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2452,2470, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 155 LYS+ QD    156 GLY  HN      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2463, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=2451,2452,
 &end
#
# 155 LYS+ QD    156 GLY  QA      6.33                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
 igr1=2451,2452,
 igr2=2465,2466,
 &end
#
# 155 LYS+ QD    158 ILE  HN      6.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2485, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr1=2451,2452,
 &end
#
# 155 LYS+ QD    159 ALA  HN      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2451,2452,
 &end
#
# 155 LYS+ QE    156 GLY  HN      7.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2463, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=2454,2455,
 &end
#
# 156 GLY  HN    157 GLU- HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,2470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 156 GLY  HN    157 GLU- HA      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,2472, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 156 GLY  HN    157 GLU- QG      7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,  -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 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  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2463,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2495,2496,
 &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      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2465,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 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      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2466,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 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      7.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=2465,2466,
 &end
#
# 156 GLY  QA    159 ALA  QB      4.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=2465,2466,
 igr2=2508,2509,2510,
 &end
#
# 157 GLU- HN    157 GLU- QG      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=2477,2478,
 &end
#
# 157 GLU- HN    158 ILE  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,2485, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 157 GLU- HN    158 ILE  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,2487, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2495,2496,
 &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      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,2504, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 157 GLU- HN    160 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2470,2514, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 157 GLU- HA    160 ALA  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,2514, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 157 GLU- HA    160 ALA  QB      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2472,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=2518,2519,2520,
 &end
#
# 157 GLU- QB    160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2514, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2474,2475,
 &end
#
# 157 GLU- QB    161 SER  HN      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1=2474,2475,
 &end
#
# 157 GLU- QG    158 ILE  HN      7.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2485, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 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
#
# 157 GLU- QG    160 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2514, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr1=2477,2478,
 &end
#
# 157 GLU- QG    160 ALA  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=2477,2478,
 igr2=2518,2519,2520,
 &end
#
# 158 ILE  HN    158 ILE  QG1     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2485,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2495,2496,
 &end
#
# 158 ILE  HN    158 ILE  QD1     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2485,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2=2498,2499,2500,
 &end
#
# 158 ILE  HN    159 ALA  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2485,2504, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &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      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2487,2524, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 158 ILE  HA    161 SER  HB2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2487,2528, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 158 ILE  HA    161 SER  HB3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2487,2529, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 158 ILE  HB    159 ALA  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2489,2504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 158 ILE  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=2491,2492,2493,
 &end
#
# 158 ILE  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=2491,2492,2493,
 &end
#
# 158 ILE  QG2   159 ALA  QB      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
 igr1=2491,2492,2493,
 igr2=2508,2509,2510,
 &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      8.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2491,2492,2493,
 &end
#
# 158 ILE  QG2   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=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     8.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.68, r4=12.18,
 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2504, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2498,2499,2500,
 &end
#
# 159 ALA  HN    160 ALA  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2504,2514, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 159 ALA  HN    160 ALA  QB      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2504,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=2518,2519,2520,
 &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  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2506,2535, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 159 ALA  HA    162 ILE  HB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2506,2539, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &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      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 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    161 SER  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2514,2524, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 160 ALA  HN    162 ILE  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2514,2535, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 160 ALA  HA    163 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2516,2554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 160 ALA  HA    163 ALA  QB      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2516,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=2558,2559,2560,
 &end
#
# 160 ALA  QB    161 SER  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2524, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=2518,2519,2520,
 &end
#
# 160 ALA  QB    162 ILE  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2535, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2518,2519,2520,
 &end
#
# 161 SER  HN    161 SER  HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,2528, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 161 SER  HN    161 SER  HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,2529, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 161 SER  HN    161 SER  QB      3.57                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=2528,2529,
 &end
#
# 161 SER  HN    162 ILE  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,2535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 161 SER  HN    162 ILE  HB      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,2539, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 161 SER  HN    162 ILE  QG2     7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2524,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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    161 SER  HB2     2.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,2528, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 161 SER  HA    161 SER  HB3     2.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,2529, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 161 SER  HA    161 SER  QB      2.34                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,  -1, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13,
 igr2=2528,2529,
 &end
#
# 161 SER  HA    163 ALA  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,2554, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 161 SER  HA    164 THR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,2564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 161 SER  HA    164 THR  QG2     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2526,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2=2570,2571,2572,
 &end
#
# 161 SER  HB2   162 ILE  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2528,2535, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 161 SER  HB3   162 ILE  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2529,2535, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 162 ILE  HN    162 ILE  QG1     7.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,  -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
 igr2=2545,2546,
 &end
#
# 162 ILE  HN    162 ILE  QD1     6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2=2548,2549,2550,
 &end
#
# 162 ILE  HN    163 ALA  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,2554, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 162 ILE  HN    164 THR  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2535,2564, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &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      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2578, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 162 ILE  HA    165 HIST HB2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HA    165 HIST HB3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2583, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HA    165 HIST HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2537,2591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 162 ILE  HA    165 HIST HE1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=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  HB    163 ALA  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2539,2554, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 162 ILE  HB    164 THR  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=2539,2564, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 162 ILE  QG2   163 ALA  HN      7.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2554, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=2541,2542,2543,
 &end
#
# 162 ILE  QG2   164 THR  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2564, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2541,2542,2543,
 &end
#
# 162 ILE  QG2   165 HIST HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2578, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2541,2542,2543,
 &end
#
# 162 ILE  QG1   163 ALA  HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2554, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 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      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2554, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 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    164 THR  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2554,2564, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 163 ALA  HA    166 MET  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,2595, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 163 ALA  HA    166 MET  HB2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,2599, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 163 ALA  HA    166 MET  HB3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,2600, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 163 ALA  HA    166 MET  QB      5.08                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=2599,2600,
 &end
#
# 163 ALA  HA    167 ARG+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2556,2612, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 163 ALA  QB    165 HIST HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2578, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2558,2559,2560,
 &end
#
# 164 THR  HN    165 HIST HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2578, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 164 THR  HN    165 HIST HB2     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2582, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 164 THR  HN    165 HIST HB3     6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2583, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
# 164 THR  HN    165 HIST QB      6.24                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=2582,2583,
 &end
#
# 164 THR  HN    165 HIST HD2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2564,2591, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 164 THR  HA    166 MET  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,2595, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 164 THR  HA    167 ARG+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,2612, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 164 THR  HA    167 ARG+ QD      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2566,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=2622,2623,
 &end
#
# 164 THR  HB    165 HIST HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2568,2578, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 164 THR  QG2   165 HIST HN      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2578, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1=2570,2571,2572,
 &end
#
# 164 THR  QG2   167 ARG+ QD      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
 igr1=2570,2571,2572,
 igr2=2622,2623,
 &end
#
# 165 HIST HN    165 HIST HD2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2578,2591, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 165 HIST HN    165 HIST HE1     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2578,2587, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 165 HIST HN    167 ARG+ HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2578,2612, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 165 HIST HN    168 PRO  QG      7.08                
 &rst
  ixpk= 0, nxpk= 0, iat=2578,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr2=2640,2641,
 &end
#
# 165 HIST HA    165 HIST HD2     6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2591, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &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     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2643, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 165 HIST HA    168 PRO  HB3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2580,2644, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2582,2595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 165 HIST HB3   166 MET  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2583,2595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 165 HIST QB    166 MET  HN      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2595, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=2582,2583,
 &end
#
# 166 MET  HN    166 MET  HG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,2602, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 166 MET  HN    166 MET  HG3     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,2603, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 166 MET  HN    166 MET  QE      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=2606,2607,2608,
 &end
#
# 166 MET  HN    167 ARG+ HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=2595,2612, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &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      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2597,2650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 166 MET  HB2   166 MET  QE      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2599,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2606,2607,2608,
 &end
#
# 166 MET  HB2   167 ARG+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2599,2612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 166 MET  HB3   166 MET  QE      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2600,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2606,2607,2608,
 &end
#
# 166 MET  HB3   167 ARG+ HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2600,2612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 166 MET  QE    167 ARG+ HN      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2612, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1=2606,2607,2608,
 &end
#
# 167 ARG+ HN    167 ARG+ QD      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2612,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 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  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  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      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2650,2671, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 169 TYR  HB2   170 ARG+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2654,2671, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 169 TYR  HB3   170 ARG+ HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2655,2671, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &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      8.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2671, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr1=2660,2665,
 &end
#
# 170 ARG+ HN    170 ARG+ HG2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2671,2678, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 170 ARG+ HN    170 ARG+ HG3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2671,2679, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 170 ARG+ HN    170 ARG+ QG      5.08                
 &rst
  ixpk= 0, nxpk= 0, iat=2671,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=2678,2679,
 &end
#
# 170 ARG+ HN    170 ARG+ QD      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=2671,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=2681,2682,
 &end
#
# 170 ARG+ HN    171 LYS+ HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2671,2695, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
# 170 ARG+ HA    170 ARG+ QD      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2673,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=2681,2682,
 &end
#
# 170 ARG+ HB2   171 LYS+ HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2675,2695, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 170 ARG+ HB3   171 LYS+ HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=2676,2695, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 170 ARG+ QB    171 LYS+ HN      4.01                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=2675,2676,
 &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     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,2699, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 171 LYS+ HN    171 LYS+ HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,2700, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 171 LYS+ HN    171 LYS+ QB      3.44                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=2699,2700,
 &end
#
# 171 LYS+ HN    171 LYS+ HG2     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,2702, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 171 LYS+ HN    171 LYS+ HG3     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,2703, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 171 LYS+ HN    171 LYS+ QG      3.74                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2702,2703,
 &end
#
# 171 LYS+ HN    171 LYS+ QD      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2695,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 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+ QG      3.28                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2=2702,2703,
 &end
#
# 171 LYS+ HA    171 LYS+ QD      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2=2705,2706,
 &end
#
# 171 LYS+ HA    171 LYS+ QE      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=2697,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=2708,2709,
 &end
#
# 171 LYS+ HB2   171 LYS+ QD      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2699,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=2705,2706,
 &end
#
# 171 LYS+ HB2   171 LYS+ QE      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2699,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=2708,2709,
 &end
#
# 171 LYS+ HB2   172 LYS+ HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2699,2717, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 171 LYS+ HB3   171 LYS+ QD      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2700,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=2705,2706,
 &end
#
# 171 LYS+ HB3   171 LYS+ QE      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=2700,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=2708,2709,
 &end
#
# 171 LYS+ HB3   172 LYS+ HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=2700,2717, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 171 LYS+ QB    171 LYS+ QD      3.55                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=2699,2700,
 igr2=2705,2706,
 &end
#
# 171 LYS+ QB    171 LYS+ QE      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2699,2700,
 igr2=2708,2709,
 &end
#
# 171 LYS+ QB    172 LYS+ HN      3.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2717, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=2699,2700,
 &end
#
# 171 LYS+ QB    173 SER  HN      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2739, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 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      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2717, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=2705,2706,
 &end
#
# 172 LYS+ HN    172 LYS+ QB      3.72                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=2721,2722,
 &end
#
# 172 LYS+ HN    172 LYS+ HG2     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,2724, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 172 LYS+ HN    172 LYS+ HG3     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,2725, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &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      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 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      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=2717,2739, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 172 LYS+ HA    172 LYS+ QD      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat=2719,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=2727,2728,
 &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      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2721,2739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &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      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=2722,2739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 172 LYS+ QB    173 SER  HN      4.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2739, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 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      5.97                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2739, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=2724,2725,
 &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

# 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

# 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  17.666 -27.331 -18.772
    2   2H    SER 129          H2        SER 129  18.413 -25.888 -18.469
    3   3H    SER 129          H3        SER 129  17.751 -26.158 -19.946
    4    HA   SER 129           HA       SER 129  15.561 -26.149 -19.098
    5   1HB   SER 129          HB2       SER 129  16.792 -25.770 -16.341
    6   2HB   SER 129          HB3       SER 129  15.070 -26.017 -16.752
    7    HG   SER 129           HG       SER 129  16.007 -28.016 -16.183
    8    H    PHE 130           H        PHE 130  14.370 -24.122 -18.336
    9    HA   PHE 130           HA       PHE 130  15.798 -21.634 -17.995
   10   1HB   PHE 130          HB3       PHE 130  16.336 -21.991 -20.356
   11   2HB   PHE 130          HB2       PHE 130  14.666 -22.410 -20.718
   12    HD1  PHE 130           HD1      PHE 130  16.766 -19.573 -19.394
   13    HD2  PHE 130           HD2      PHE 130  13.207 -20.752 -21.536
   14    HE1  PHE 130           HE1      PHE 130  16.271 -17.195 -19.900
   15    HE2  PHE 130           HE2      PHE 130  12.737 -18.374 -22.054
   16    HZ   PHE 130           HZ       PHE 130  14.267 -16.594 -21.231
   17    H    THR 131           H        THR 131  14.252 -19.829 -17.834
   18    HA   THR 131           HA       THR 131  11.371 -20.425 -17.981
   19    HB   THR 131           HB       THR 131  10.618 -19.328 -15.732
   20    HG1  THR 131           HG1      THR 131  12.184 -19.186 -14.370
   21   1HG2  THR 131          HG21      THR 131  12.763 -21.616 -15.336
   22   2HG2  THR 131          HG22      THR 131  11.462 -21.030 -14.292
   23   3HG2  THR 131          HG23      THR 131  11.071 -21.781 -15.856
   24    H    GLY 132           H        GLY 132  10.447 -18.794 -19.027
   25   1HA   GLY 132          HA1       GLY 132  12.028 -16.416 -19.763
   26   2HA   GLY 132          HA2       GLY 132  10.461 -16.913 -20.448
   27    H    LYS 133           H        LYS 133  11.492 -16.215 -17.070
   28    HA   LYS 133           HA       LYS 133  10.251 -13.674 -16.874
   29   1HB   LYS 133          HB2       LYS 133   8.381 -15.866 -16.751
   30   2HB   LYS 133          HB3       LYS 133   8.450 -15.159 -15.155
   31   1HG   LYS 133          HG3       LYS 133   7.868 -12.977 -15.918
   32   2HG   LYS 133          HG2       LYS 133   8.114 -13.393 -17.609
   33   1HD   LYS 133          HD2       LYS 133   5.920 -14.467 -15.794
   34   2HD   LYS 133          HD3       LYS 133   5.725 -13.265 -17.066
   35   1HE   LYS 133          HE2       LYS 133   6.417 -16.217 -17.401
   36   2HE   LYS 133          HE3       LYS 133   4.915 -15.418 -17.863
   37   1HZ   LYS 133          HZ1       LYS 133   6.214 -14.137 -19.506
   38   2HZ   LYS 133          HZ2       LYS 133   7.584 -14.935 -19.077
   39   3HZ   LYS 133          HZ3       LYS 133   6.353 -15.755 -19.777
   40    HA   PRO 134           HA       PRO 134  11.833 -14.041 -12.577
   41   1HB   PRO 134          HB2       PRO 134  12.071 -11.425 -12.005
   42   2HB   PRO 134          HB3       PRO 134  13.204 -12.177 -13.164
   43   1HG   PRO 134          HG2       PRO 134  10.694 -10.579 -13.784
   44   2HG   PRO 134          HG3       PRO 134  12.334 -10.371 -14.474
   45   1HD   PRO 134          HD2       PRO 134  10.305 -11.868 -15.647
   46   2HD   PRO 134          HD3       PRO 134  12.048 -12.175 -15.923
   47    H    LEU 135           H        LEU 135  10.757 -12.519 -10.642
   48    HA   LEU 135           HA       LEU 135   7.933 -11.842 -11.179
   49   1HB   LEU 135          HB3       LEU 135   8.951 -13.456  -8.796
   50   2HB   LEU 135          HB2       LEU 135   7.380 -12.665  -8.842
   51    HG   LEU 135           HG       LEU 135   8.255 -14.869 -10.766
   52   1HD1  LEU 135          HD11      LEU 135   8.054 -15.683  -8.448
   53   2HD1  LEU 135          HD12      LEU 135   6.427 -14.977  -8.326
   54   3HD1  LEU 135          HD13      LEU 135   6.741 -16.312  -9.457
   55   1HD2  LEU 135          HD21      LEU 135   5.523 -13.576 -10.293
   56   2HD2  LEU 135          HD22      LEU 135   5.830 -14.992 -11.322
   57   3HD2  LEU 135          HD23      LEU 135   6.508 -13.424 -11.764
   58    H    LEU 136           H        LEU 136   7.731  -9.767 -10.759
   59    HA   LEU 136           HA       LEU 136   9.232  -8.370  -8.637
   60   1HB   LEU 136          HB2       LEU 136   9.167  -7.646 -11.595
   61   2HB   LEU 136          HB3       LEU 136   9.800  -6.590 -10.345
   62    HG   LEU 136           HG       LEU 136  10.964  -9.303 -11.117
   63   1HD1  LEU 136          HD11      LEU 136  11.979  -6.509 -11.753
   64   2HD1  LEU 136          HD12      LEU 136  11.217  -7.624 -12.905
   65   3HD1  LEU 136          HD13      LEU 136  12.774  -8.044 -12.169
   66   1HD2  LEU 136          HD21      LEU 136  11.468  -8.681  -8.745
   67   2HD2  LEU 136          HD22      LEU 136  12.136  -7.139  -9.312
   68   3HD2  LEU 136          HD23      LEU 136  12.909  -8.668  -9.767
   69    H    GLY 137           H        GLY 137   8.247  -6.227  -8.228
   70   1HA   GLY 137          HA1       GLY 137   6.309  -5.122  -7.518
   71   2HA   GLY 137          HA2       GLY 137   5.505  -5.685  -9.000
   72    H    GLY 138           H        GLY 138   3.729  -6.777  -8.478
   73   1HA   GLY 138          HA1       GLY 138   3.783  -9.326  -7.296
   74   2HA   GLY 138          HA2       GLY 138   3.263  -8.248  -6.039
   75    HA   PRO 139           HA       PRO 139  -0.464  -8.646  -9.012
   76   1HB   PRO 139          HB2       PRO 139  -0.835 -11.083 -10.135
   77   2HB   PRO 139          HB3       PRO 139   0.167  -9.827 -10.931
   78   1HG   PRO 139          HG2       PRO 139   1.104 -12.154  -9.221
   79   2HG   PRO 139          HG3       PRO 139   1.732 -11.630 -10.815
   80   1HD   PRO 139          HD2       PRO 139   2.881 -10.915  -8.418
   81   2HD   PRO 139          HD3       PRO 139   2.926  -9.846  -9.855
   82    H    PHE 140           H        PHE 140  -2.416  -9.407  -8.157
   83    HA   PHE 140           HA       PHE 140  -2.410 -11.428  -6.037
   84   1HB   PHE 140          HB2       PHE 140  -3.017  -9.856  -4.260
   85   2HB   PHE 140          HB3       PHE 140  -1.438  -9.515  -4.912
   86    HD1  PHE 140           HD1      PHE 140  -5.013  -8.345  -4.992
   87    HD2  PHE 140           HD2      PHE 140  -0.900  -7.353  -5.757
   88    HE1  PHE 140           HE1      PHE 140  -5.662  -5.997  -5.381
   89    HE2  PHE 140           HE2      PHE 140  -1.544  -4.983  -6.117
   90    HZ   PHE 140           HZ       PHE 140  -3.933  -4.304  -5.951
   91    H    SER 141           H        SER 141  -4.577 -11.316  -4.806
   92    HA   SER 141           HA       SER 141  -6.806 -10.041  -6.255
   93   1HB   SER 141          HB2       SER 141  -6.811 -12.888  -5.180
   94   2HB   SER 141          HB3       SER 141  -8.260 -11.972  -5.584
   95    HG   SER 141           HG       SER 141  -6.116 -12.369  -7.399
   96    H    LEU 142           H        LEU 142  -7.723  -8.651  -4.756
   97    HA   LEU 142           HA       LEU 142  -8.139  -9.547  -1.987
   98   1HB   LEU 142          HB2       LEU 142  -6.376  -7.182  -2.703
   99   2HB   LEU 142          HB3       LEU 142  -7.452  -7.057  -1.320
  100    HG   LEU 142           HG       LEU 142  -6.354  -9.422  -0.693
  101   1HD1  LEU 142          HD11      LEU 142  -4.763  -9.191  -2.744
  102   2HD1  LEU 142          HD12      LEU 142  -4.038  -9.526  -1.170
  103   3HD1  LEU 142          HD13      LEU 142  -4.002  -7.879  -1.865
  104   1HD2  LEU 142          HD21      LEU 142  -6.473  -7.443   0.778
  105   2HD2  LEU 142          HD22      LEU 142  -4.899  -8.245   0.868
  106   3HD2  LEU 142          HD23      LEU 142  -5.072  -6.742  -0.063
  107    H    THR 143           H        THR 143  -9.689  -8.396  -0.840
  108    HA   THR 143           HA       THR 143 -11.852  -7.286  -2.555
  109    HB   THR 143           HB       THR 143 -11.849  -8.137   0.365
  110    HG1  THR 143           HG1      THR 143 -11.563  -9.932  -0.887
  111   1HG2  THR 143          HG21      THR 143 -14.115  -7.493  -1.589
  112   2HG2  THR 143          HG22      THR 143 -14.328  -8.257  -0.001
  113   3HG2  THR 143          HG23      THR 143 -13.716  -6.602  -0.098
  114    H    THR 144           H        THR 144 -12.605  -5.235  -2.393
  115    HA   THR 144           HA       THR 144 -10.984  -3.272  -0.883
  116    HB   THR 144           HB       THR 144 -12.393  -1.567  -2.088
  117    HG1  THR 144           HG1      THR 144 -13.333  -3.780  -3.547
  118   1HG2  THR 144          HG21      THR 144 -11.586  -2.103  -4.424
  119   2HG2  THR 144          HG22      THR 144 -10.353  -2.057  -3.167
  120   3HG2  THR 144          HG23      THR 144 -10.932  -3.628  -3.772
  121    H    HIS 145           H        HIS 145 -11.827  -1.698   0.423
  122    HA   HIS 145           HA       HIS 145 -13.841  -2.087   2.333
  123   1HB   HIS 145          HB2       HIS 145 -13.479   0.268   2.772
  124   2HB   HIS 145          HB3       HIS 145 -11.941  -0.507   2.423
  125    HD2  HIS 145           HD2      HIS 145 -13.165   2.701   1.931
  126    HE1  HIS 145           HE1      HIS 145 -11.497   1.948  -1.908
  127    HE2  HIS 145           HE2      HIS 145 -12.245   3.765  -0.290
  128    H    THR 146           H        THR 146 -14.133  -0.869  -0.960
  129    HA   THR 146           HA       THR 146 -16.888   0.048  -0.774
  130    HB   THR 146           HB       THR 146 -15.275  -0.800  -3.217
  131    HG1  THR 146           HG1      THR 146 -14.788   1.436  -3.255
  132   1HG2  THR 146          HG21      THR 146 -17.633   1.119  -2.880
  133   2HG2  THR 146          HG22      THR 146 -16.744   0.816  -4.389
  134   3HG2  THR 146          HG23      THR 146 -17.706  -0.478  -3.657
  135    H    GLY 147           H        GLY 147 -15.297  -2.970  -1.865
  136   1HA   GLY 147          HA1       GLY 147 -16.373  -5.045  -1.101
  137   2HA   GLY 147          HA2       GLY 147 -17.931  -4.426  -1.688
  138    H    GLU 148           H        GLU 148 -15.408  -3.695  -3.832
  139    HA   GLU 148           HA       GLU 148 -16.010  -6.050  -5.560
  140   1HB   GLU 148          HB2       GLU 148 -16.390  -3.563  -6.252
  141   2HB   GLU 148          HB3       GLU 148 -14.648  -3.505  -6.489
  142   1HG   GLU 148          HG2       GLU 148 -16.188  -5.791  -7.753
  143   2HG   GLU 148          HG3       GLU 148 -16.466  -4.171  -8.386
  144    H    ARG 149           H        ARG 149 -14.021  -6.923  -6.822
  145    HA   ARG 149           HA       ARG 149 -11.902  -7.286  -4.743
  146   1HB   ARG 149          HB2       ARG 149 -13.799  -9.007  -4.932
  147   2HB   ARG 149          HB3       ARG 149 -13.064  -9.515  -6.441
  148   1HG   ARG 149          HG2       ARG 149 -11.825  -9.528  -3.652
  149   2HG   ARG 149          HG3       ARG 149 -12.406 -10.929  -4.541
  150   1HD   ARG 149          HD2       ARG 149  -9.956  -9.248  -5.135
  151   2HD   ARG 149          HD3       ARG 149 -10.000 -10.913  -4.575
  152    HE   ARG 149           HE       ARG 149 -10.611  -9.851  -7.284
  153   1HH1  ARG 149          HH22      ARG 149 -10.452 -12.765  -5.282
  154   2HH1  ARG 149          HH21      ARG 149 -10.562 -13.822  -6.664
  155   1HH2  ARG 149          HH12      ARG 149 -10.609 -11.196  -8.976
  156   2HH2  ARG 149          HH11      ARG 149 -10.589 -12.927  -8.764
  157    H    LYS 150           H        LYS 150 -10.167  -6.341  -5.554
  158    HA   LYS 150           HA       LYS 150  -9.695  -6.285  -8.494
  159   1HB   LYS 150          HB2       LYS 150  -8.254  -4.721  -6.324
  160   2HB   LYS 150          HB3       LYS 150  -8.239  -4.417  -8.052
  161   1HG   LYS 150          HG2       LYS 150 -10.395  -3.824  -6.038
  162   2HG   LYS 150          HG3       LYS 150  -9.624  -2.751  -7.202
  163   1HD   LYS 150          HD2       LYS 150 -11.738  -4.834  -7.726
  164   2HD   LYS 150          HD3       LYS 150 -11.914  -3.093  -7.867
  165   1HE   LYS 150          HE3       LYS 150 -10.596  -2.988  -9.851
  166   2HE   LYS 150          HE2       LYS 150  -9.874  -4.567  -9.551
  167   1HZ   LYS 150          HZ1       LYS 150 -11.456  -4.841 -11.237
  168   2HZ   LYS 150          HZ2       LYS 150 -12.152  -5.514  -9.875
  169   3HZ   LYS 150          HZ3       LYS 150 -12.671  -4.089 -10.330
  170    H    THR 151           H        THR 151  -7.552  -6.272  -9.301
  171    HA   THR 151           HA       THR 151  -5.501  -7.979  -7.976
  172    HB   THR 151           HB       THR 151  -4.716  -8.605 -10.171
  173    HG1  THR 151           HG1      THR 151  -6.766  -6.862 -11.133
  174   1HG2  THR 151          HG21      THR 151  -6.731  -9.903  -9.299
  175   2HG2  THR 151          HG22      THR 151  -7.741  -8.907 -10.370
  176   3HG2  THR 151          HG23      THR 151  -6.480  -9.949 -11.053
  177    H    ASP 152           H        ASP 152  -3.250  -7.176  -9.294
  178    HA   ASP 152           HA       ASP 152  -2.956  -4.319  -8.731
  179   1HB   ASP 152          HB2       ASP 152  -0.704  -4.621  -9.223
  180   2HB   ASP 152          HB3       ASP 152  -1.143  -6.166  -8.510
  181    H    LYS 153           H        LYS 153  -3.784  -6.378 -11.430
  182    HA   LYS 153           HA       LYS 153  -2.896  -4.622 -13.514
  183   1HB   LYS 153          HB2       LYS 153  -3.383  -7.260 -13.451
  184   2HB   LYS 153          HB3       LYS 153  -5.013  -6.763 -13.860
  185   1HG   LYS 153          HG2       LYS 153  -4.193  -7.102 -15.961
  186   2HG   LYS 153          HG3       LYS 153  -3.813  -5.397 -15.806
  187   1HD   LYS 153          HD2       LYS 153  -1.934  -7.781 -15.581
  188   2HD   LYS 153          HD3       LYS 153  -1.967  -6.519 -16.804
  189   1HE   LYS 153          HE2       LYS 153  -0.153  -5.818 -15.582
  190   2HE   LYS 153          HE3       LYS 153  -1.433  -4.884 -14.815
  191   1HZ   LYS 153          HZ1       LYS 153  -0.249  -7.413 -13.768
  192   2HZ   LYS 153          HZ2       LYS 153  -0.079  -5.932 -13.113
  193   3HZ   LYS 153          HZ3       LYS 153  -1.499  -6.642 -13.051
  194    H    ASP 154           H        ASP 154  -5.931  -4.781 -11.816
  195    HA   ASP 154           HA       ASP 154  -7.578  -3.257 -13.610
  196   1HB   ASP 154          HB2       ASP 154  -7.545  -3.339 -10.560
  197   2HB   ASP 154          HB3       ASP 154  -8.867  -2.747 -11.561
  198    H    TYR 155           H        TYR 155  -5.150  -2.314 -11.217
  199    HA   TYR 155           HA       TYR 155  -5.750   0.543 -11.423
  200   1HB   TYR 155          HB2       TYR 155  -3.634  -1.026  -9.898
  201   2HB   TYR 155          HB3       TYR 155  -3.920   0.698  -9.737
  202    HD1  TYR 155           HD1      TYR 155  -4.829  -2.510  -8.481
  203    HD2  TYR 155           HD2      TYR 155  -6.240   1.525  -9.035
  204    HE1  TYR 155           HE1      TYR 155  -6.487  -2.851  -6.671
  205    HE2  TYR 155           HE2      TYR 155  -7.927   1.187  -7.230
  206    HH   TYR 155           HH       TYR 155  -8.138  -1.904  -5.446
  207    H    LEU 156           H        LEU 156  -3.990  -1.335 -13.530
  208    HA   LEU 156           HA       LEU 156  -1.510   0.116 -13.705
  209   1HB   LEU 156          HB2       LEU 156  -1.926  -2.201 -14.408
  210   2HB   LEU 156          HB3       LEU 156  -2.925  -1.646 -15.749
  211    HG   LEU 156           HG       LEU 156   0.026  -0.943 -15.409
  212   1HD1  LEU 156          HD11      LEU 156   0.391  -2.751 -17.133
  213   2HD1  LEU 156          HD12      LEU 156  -1.309  -3.225 -16.934
  214   3HD1  LEU 156          HD13      LEU 156  -0.166  -3.341 -15.567
  215   1HD2  LEU 156          HD21      LEU 156  -0.983   0.597 -16.997
  216   2HD2  LEU 156          HD22      LEU 156  -0.068  -0.587 -17.907
  217   3HD2  LEU 156          HD23      LEU 156  -1.838  -0.732 -17.818
  218    H    GLY 157           H        GLY 157  -1.257   2.142 -14.314
  219   1HA   GLY 157          HA1       GLY 157  -1.466   3.468 -16.533
  220   2HA   GLY 157          HA2       GLY 157  -3.200   3.441 -16.199
  221    H    GLN 158           H        GLN 158  -2.030   3.697 -13.182
  222    HA   GLN 158           HA       GLN 158  -1.168   6.534 -13.305
  223   1HB   GLN 158          HB2       GLN 158  -2.384   6.908 -11.115
  224   2HB   GLN 158          HB3       GLN 158  -3.330   6.960 -12.584
  225   1HG   GLN 158          HG2       GLN 158  -3.207   4.392 -10.981
  226   2HG   GLN 158          HG3       GLN 158  -4.221   5.721 -10.436
  227   1HE2  GLN 158          HE21      GLN 158  -4.411   2.895 -12.245
  228   2HE2  GLN 158          HE22      GLN 158  -5.803   3.401 -13.215
  229    H    TRP 159           H        TRP 159  -0.071   7.119 -11.123
  230    HA   TRP 159           HA       TRP 159   1.825   4.986 -10.431
  231   1HB   TRP 159          HB2       TRP 159   1.400   7.798  -9.343
  232   2HB   TRP 159          HB3       TRP 159   2.628   6.690  -8.777
  233    HD1  TRP 159           HD1      TRP 159   1.834   8.973 -11.678
  234    HE1  TRP 159           HE1      TRP 159   3.988   9.352 -13.094
  235    HE3  TRP 159           HE3      TRP 159   4.897   5.596  -9.395
  236    HZ2  TRP 159           HZ2      TRP 159   6.679   8.398 -13.098
  237    HZ3  TRP 159           HZ3      TRP 159   7.260   5.360 -10.105
  238    HH2  TRP 159           HH2      TRP 159   8.145   6.727 -11.987
  239    H    LEU 160           H        LEU 160   1.840   3.819  -8.547
  240    HA   LEU 160           HA       LEU 160  -0.542   4.086  -6.728
  241   1HB   LEU 160          HB2       LEU 160   0.849   1.493  -7.416
  242   2HB   LEU 160          HB3       LEU 160  -0.656   1.707  -6.537
  243    HG   LEU 160           HG       LEU 160  -0.236   2.267  -9.511
  244   1HD1  LEU 160          HD11      LEU 160  -1.499   0.239  -9.897
  245   2HD1  LEU 160          HD12      LEU 160  -0.109  -0.139  -8.876
  246   3HD1  LEU 160          HD13      LEU 160  -1.722  -0.014  -8.147
  247   1HD2  LEU 160          HD21      LEU 160  -2.034   3.689  -8.493
  248   2HD2  LEU 160          HD22      LEU 160  -2.659   2.516  -9.639
  249   3HD2  LEU 160          HD23      LEU 160  -2.827   2.225  -7.888
  250    H    LEU 161           H        LEU 161  -0.194   4.102  -4.624
  251    HA   LEU 161           HA       LEU 161   2.543   3.542  -3.508
  252   1HB   LEU 161          HB2       LEU 161   0.157   4.935  -2.196
  253   2HB   LEU 161          HB3       LEU 161   1.727   4.666  -1.468
  254    HG   LEU 161           HG       LEU 161   1.135   6.471  -3.847
  255   1HD1  LEU 161          HD11      LEU 161   1.925   7.129  -0.975
  256   2HD1  LEU 161          HD12      LEU 161   0.291   7.299  -1.654
  257   3HD1  LEU 161          HD13      LEU 161   1.615   8.299  -2.258
  258   1HD2  LEU 161          HD21      LEU 161   3.711   5.827  -2.366
  259   2HD2  LEU 161          HD22      LEU 161   3.384   5.587  -4.094
  260   3HD2  LEU 161          HD23      LEU 161   3.531   7.229  -3.451
  261    H    ILE 162           H        ILE 162   2.701   1.463  -2.851
  262    HA   ILE 162           HA       ILE 162   0.201   0.064  -1.888
  263    HB   ILE 162           HB       ILE 162   2.646  -1.032  -3.342
  264   1HG1  ILE 162          HG12      ILE 162  -0.195  -0.453  -4.299
  265   2HG1  ILE 162          HG13      ILE 162   1.293   0.299  -4.865
  266   1HG2  ILE 162          HG21      ILE 162   1.423  -3.167  -3.387
  267   2HG2  ILE 162          HG22      ILE 162   1.623  -2.645  -1.723
  268   3HG2  ILE 162          HG23      ILE 162   0.055  -2.420  -2.527
  269   1HD1  ILE 162          HD11      ILE 162   0.403  -2.552  -5.375
  270   2HD1  ILE 162          HD12      ILE 162   0.606  -1.236  -6.540
  271   3HD1  ILE 162          HD13      ILE 162   2.032  -1.936  -5.749
  272    H    TYR 163           H        TYR 163   0.181  -0.143   0.232
  273    HA   TYR 163           HA       TYR 163   2.752  -0.561   1.724
  274   1HB   TYR 163          HB2       TYR 163   2.025   1.767   1.895
  275   2HB   TYR 163          HB3       TYR 163   0.404   1.263   2.328
  276    HD1  TYR 163           HD1      TYR 163  -0.215   0.975   4.589
  277    HD2  TYR 163           HD2      TYR 163   3.961   1.052   3.557
  278    HE1  TYR 163           HE1      TYR 163   0.376   0.989   7.005
  279    HE2  TYR 163           HE2      TYR 163   4.555   1.087   5.979
  280    HH   TYR 163           HH       TYR 163   2.073   0.865   8.556
  281    H    PHE 164           H        PHE 164   2.663  -1.810   3.557
  282    HA   PHE 164           HA       PHE 164   0.229  -3.528   3.903
  283   1HB   PHE 164          HB2       PHE 164   3.155  -4.166   4.432
  284   2HB   PHE 164          HB3       PHE 164   1.789  -5.269   4.600
  285    HD1  PHE 164           HD1      PHE 164   0.701  -6.249   2.632
  286    HD2  PHE 164           HD2      PHE 164   3.898  -3.380   2.187
  287    HE1  PHE 164           HE1      PHE 164   0.863  -6.775   0.214
  288    HE2  PHE 164           HE2      PHE 164   4.011  -3.878  -0.232
  289    HZ   PHE 164           HZ       PHE 164   2.487  -5.575  -1.224
  290    H    GLY 165           H        GLY 165  -0.916  -2.896   5.583
  291   1HA   GLY 165          HA1       GLY 165   0.425  -1.958   8.087
  292   2HA   GLY 165          HA2       GLY 165  -0.915  -1.091   7.344
  293    H    PHE 166           H        PHE 166  -1.075  -1.704   9.882
  294    HA   PHE 166           HA       PHE 166  -2.616  -4.257  10.228
  295   1HB   PHE 166          HB2       PHE 166  -0.259  -4.281  10.910
  296   2HB   PHE 166          HB3       PHE 166  -0.479  -2.819  11.845
  297    HD1  PHE 166           HD1      PHE 166  -0.315  -3.149  14.097
  298    HD2  PHE 166           HD2      PHE 166  -2.040  -6.268  11.684
  299    HE1  PHE 166           HE1      PHE 166  -0.495  -4.574  16.085
  300    HE2  PHE 166           HE2      PHE 166  -2.324  -7.675  13.695
  301    HZ   PHE 166           HZ       PHE 166  -1.526  -6.869  15.907
  302    H    THR 167           H        THR 167  -4.755  -3.705  10.619
  303    HA   THR 167           HA       THR 167  -5.754  -1.261  11.445
  304    HB   THR 167           HB       THR 167  -6.976  -3.999  12.019
  305    HG1  THR 167           HG1      THR 167  -7.961  -3.432   9.924
  306   1HG2  THR 167          HG21      THR 167  -8.260  -2.163  13.089
  307   2HG2  THR 167          HG22      THR 167  -8.258  -1.261  11.556
  308   3HG2  THR 167          HG23      THR 167  -9.132  -2.804  11.699
  309    H    HIS 168           H        HIS 168  -4.559  -3.801  13.556
  310    HA   HIS 168           HA       HIS 168  -5.401  -2.497  16.006
  311   1HB   HIS 168          HB2       HIS 168  -5.439  -4.878  15.742
  312   2HB   HIS 168          HB3       HIS 168  -3.765  -4.945  15.253
  313    HD1  HIS 168           HD1      HIS 168  -1.939  -4.551  17.257
  314    HD2  HIS 168           HD2      HIS 168  -5.981  -4.902  18.374
  315    HE1  HIS 168           HE1      HIS 168  -1.958  -5.087  19.793
  316    HE2  HIS 168           HE2      HIS 168  -4.380  -5.348  20.460
  317    H    CYS 169           H        CYS 169  -2.768  -1.570  14.007
  318    HA   CYS 169           HA       CYS 169  -0.739  -1.200  15.893
  319   1HB   CYS 169          HB2       CYS 169  -1.348  -0.275  13.225
  320   2HB   CYS 169          HB3       CYS 169  -0.811   1.085  14.174
  321    HA   PRO 170           HA       PRO 170  -2.112   2.589  18.091
  322   1HB   PRO 170          HB2       PRO 170   0.162   3.262  19.363
  323   2HB   PRO 170          HB3       PRO 170  -0.676   1.748  19.780
  324   1HG   PRO 170          HG2       PRO 170   1.692   2.079  17.903
  325   2HG   PRO 170          HG3       PRO 170   1.509   0.924  19.261
  326   1HD   PRO 170          HD2       PRO 170   0.922   0.323  16.613
  327   2HD   PRO 170          HD3       PRO 170   0.129  -0.475  18.001
  328    H    ASP 171           H        ASP 171   0.509   4.434  17.991
  329    HA   ASP 171           HA       ASP 171  -0.273   6.064  15.903
  330   1HB   ASP 171          HB2       ASP 171   2.529   5.898  17.063
  331   2HB   ASP 171          HB3       ASP 171   1.706   7.326  16.432
  332    H    VAL 172           H        VAL 172   1.588   3.247  15.610
  333    HA   VAL 172           HA       VAL 172   3.697   4.141  13.951
  334    HB   VAL 172           HB       VAL 172   2.697   1.390  14.631
  335   1HG1  VAL 172          HG11      VAL 172   3.793   1.062  12.480
  336   2HG1  VAL 172          HG12      VAL 172   5.172   2.075  12.984
  337   3HG1  VAL 172          HG13      VAL 172   4.875   0.500  13.754
  338   1HG2  VAL 172          HG21      VAL 172   5.165   2.954  15.456
  339   2HG2  VAL 172          HG22      VAL 172   3.706   2.706  16.439
  340   3HG2  VAL 172          HG23      VAL 172   4.722   1.326  16.012
  341    H    CYS 173           H        CYS 173   1.128   1.821  12.696
  342    HA   CYS 173           HA       CYS 173   1.522   2.444   9.995
  343   1HB   CYS 173          HB2       CYS 173  -0.766   1.385  11.596
  344   2HB   CYS 173          HB3       CYS 173  -1.113   1.967   9.964
  345    HA   PRO 174           HA       PRO 174  -1.709   5.906  10.043
  346   1HB   PRO 174          HB2       PRO 174  -2.177   7.372  12.357
  347   2HB   PRO 174          HB3       PRO 174  -3.184   6.052  11.679
  348   1HG   PRO 174          HG2       PRO 174  -1.140   5.912  13.860
  349   2HG   PRO 174          HG3       PRO 174  -2.726   5.095  13.771
  350   1HD   PRO 174          HD2       PRO 174  -0.413   3.797  13.196
  351   2HD   PRO 174          HD3       PRO 174  -1.910   3.447  12.299
  352    H    GLU 175           H        GLU 175   1.261   6.343  12.041
  353    HA   GLU 175           HA       GLU 175   1.742   9.024  11.140
  354   1HB   GLU 175          HB2       GLU 175   2.703   7.814  13.120
  355   2HB   GLU 175          HB3       GLU 175   3.802   6.970  12.042
  356   1HG   GLU 175          HG2       GLU 175   3.608  10.020  12.232
  357   2HG   GLU 175          HG3       GLU 175   4.554   9.078  13.379
  358    H    GLU 176           H        GLU 176   2.520   5.849   9.629
  359    HA   GLU 176           HA       GLU 176   3.825   7.172   7.320
  360   1HB   GLU 176          HB2       GLU 176   2.821   4.328   7.684
  361   2HB   GLU 176          HB3       GLU 176   3.613   4.932   6.237
  362   1HG   GLU 176          HG2       GLU 176   4.823   4.671   9.010
  363   2HG   GLU 176          HG3       GLU 176   5.202   3.698   7.588
  364    H    LEU 177           H        LEU 177   0.564   6.074   8.168
  365    HA   LEU 177           HA       LEU 177  -0.640   6.367   5.604
  366   1HB   LEU 177          HB2       LEU 177  -1.435   5.329   7.933
  367   2HB   LEU 177          HB3       LEU 177  -2.116   6.935   8.177
  368    HG   LEU 177           HG       LEU 177  -3.788   5.439   7.432
  369   1HD1  LEU 177          HD11      LEU 177  -3.186   7.050   4.947
  370   2HD1  LEU 177          HD12      LEU 177  -3.779   7.783   6.462
  371   3HD1  LEU 177          HD13      LEU 177  -4.758   6.580   5.612
  372   1HD2  LEU 177          HD21      LEU 177  -3.708   4.162   5.355
  373   2HD2  LEU 177          HD22      LEU 177  -2.120   4.833   4.949
  374   3HD2  LEU 177          HD23      LEU 177  -2.301   3.764   6.356
  375    H    GLU 178           H        GLU 178  -0.219   8.714   8.255
  376    HA   GLU 178           HA       GLU 178  -1.378  11.007   7.094
  377   1HB   GLU 178          HB2       GLU 178   0.741  10.384   9.142
  378   2HB   GLU 178          HB3       GLU 178   0.754  12.014   8.500
  379   1HG   GLU 178          HG2       GLU 178  -1.844  10.824   9.520
  380   2HG   GLU 178          HG3       GLU 178  -0.653  11.518  10.630
  381    H    LYS 179           H        LYS 179   2.113  10.002   6.903
  382    HA   LYS 179           HA       LYS 179   2.870  11.939   4.986
  383   1HB   LYS 179          HB2       LYS 179   3.879   9.063   5.205
  384   2HB   LYS 179          HB3       LYS 179   4.664  10.372   4.318
  385   1HG   LYS 179          HG2       LYS 179   4.943  11.623   6.483
  386   2HG   LYS 179          HG3       LYS 179   4.235  10.246   7.317
  387   1HD   LYS 179          HD2       LYS 179   6.164   8.891   5.995
  388   2HD   LYS 179          HD3       LYS 179   6.917  10.490   5.957
  389   1HE   LYS 179          HE2       LYS 179   7.758   9.472   7.938
  390   2HE   LYS 179          HE3       LYS 179   6.476  10.555   8.528
  391   1HZ   LYS 179          HZ1       LYS 179   4.994   8.607   8.531
  392   2HZ   LYS 179          HZ2       LYS 179   6.303   7.626   8.147
  393   3HZ   LYS 179          HZ3       LYS 179   6.240   8.463   9.546
  394    H    MET 180           H        MET 180   1.518   8.674   4.414
  395    HA   MET 180           HA       MET 180   1.506   8.726   1.583
  396   1HB   MET 180          HB2       MET 180   1.187   6.779   3.121
  397   2HB   MET 180          HB3       MET 180  -0.464   7.327   3.433
  398   1HG   MET 180          HG2       MET 180  -0.910   7.147   0.953
  399   2HG   MET 180          HG3       MET 180   0.679   6.406   0.782
  400   1HE   MET 180          HE1       MET 180   0.201   4.868   3.985
  401   2HE   MET 180          HE2       MET 180  -0.041   3.252   3.324
  402   3HE   MET 180          HE3       MET 180   1.273   4.274   2.700
  403    H    ILE 181           H        ILE 181  -1.124   9.879   3.837
  404    HA   ILE 181           HA       ILE 181  -2.860  10.627   1.593
  405    HB   ILE 181           HB       ILE 181  -2.873  11.527   4.511
  406   1HG1  ILE 181          HG12      ILE 181  -3.528   9.286   4.542
  407   2HG1  ILE 181          HG13      ILE 181  -5.023  10.179   4.556
  408   1HG2  ILE 181          HG21      ILE 181  -4.889  12.093   2.291
  409   2HG2  ILE 181          HG22      ILE 181  -5.165  12.392   4.022
  410   3HG2  ILE 181          HG23      ILE 181  -3.915  13.283   3.180
  411   1HD1  ILE 181          HD11      ILE 181  -5.215   9.706   2.045
  412   2HD1  ILE 181          HD12      ILE 181  -3.824   8.614   2.241
  413   3HD1  ILE 181          HD13      ILE 181  -5.325   8.302   3.125
  414    H    GLN 182           H        GLN 182  -0.600  12.539   3.707
  415    HA   GLN 182           HA       GLN 182  -1.277  14.995   2.468
  416   1HB   GLN 182          HB2       GLN 182   1.190  14.103   3.890
  417   2HB   GLN 182          HB3       GLN 182   0.736  15.793   3.482
  418   1HG   GLN 182          HG2       GLN 182  -1.026  15.857   5.008
  419   2HG   GLN 182          HG3       GLN 182  -1.054  14.100   5.218
  420   1HE2  GLN 182          HE21      GLN 182  -0.712  14.224   7.507
  421   2HE2  GLN 182          HE22      GLN 182   0.895  14.591   8.063
  422    H    VAL 183           H        VAL 183   1.130  12.458   1.578
  423    HA   VAL 183           HA       VAL 183   2.485  14.012  -0.441
  424    HB   VAL 183           HB       VAL 183   2.339  11.065   0.201
  425   1HG1  VAL 183          HG11      VAL 183   2.569  11.004  -2.209
  426   2HG1  VAL 183          HG12      VAL 183   3.846  12.242  -2.167
  427   3HG1  VAL 183          HG13      VAL 183   4.125  10.631  -1.472
  428   1HG2  VAL 183          HG21      VAL 183   4.712  12.989   0.085
  429   2HG2  VAL 183          HG22      VAL 183   3.767  12.712   1.551
  430   3HG2  VAL 183          HG23      VAL 183   4.657  11.371   0.822
  431    H    VAL 184           H        VAL 184  -0.442  11.885  -0.605
  432    HA   VAL 184           HA       VAL 184  -0.621  12.039  -3.490
  433    HB   VAL 184           HB       VAL 184  -2.613  11.262  -1.333
  434   1HG1  VAL 184          HG11      VAL 184  -2.949  11.224  -4.360
  435   2HG1  VAL 184          HG12      VAL 184  -3.985  10.329  -3.218
  436   3HG1  VAL 184          HG13      VAL 184  -3.949  12.099  -3.184
  437   1HG2  VAL 184          HG21      VAL 184  -1.184   9.614  -3.457
  438   2HG2  VAL 184          HG22      VAL 184  -2.216   9.006  -2.158
  439   3HG2  VAL 184          HG23      VAL 184  -0.651   9.729  -1.779
  440    H    ASP 185           H        ASP 185  -2.094  13.941  -0.787
  441    HA   ASP 185           HA       ASP 185  -3.643  15.747  -2.363
  442   1HB   ASP 185          HB2       ASP 185  -3.770  15.476   0.103
  443   2HB   ASP 185          HB3       ASP 185  -2.172  16.195   0.274
  444    H    GLU 186           H        GLU 186  -0.277  16.068  -1.190
  445    HA   GLU 186           HA       GLU 186   0.488  18.456  -2.458
  446   1HB   GLU 186          HB2       GLU 186   1.660  17.316  -0.710
  447   2HB   GLU 186          HB3       GLU 186   1.941  15.898  -1.711
  448   1HG   GLU 186          HG2       GLU 186   3.601  17.084  -3.021
  449   2HG   GLU 186          HG3       GLU 186   3.208  18.604  -2.174
  450    H    ILE 187           H        ILE 187   0.545  15.127  -3.786
  451    HA   ILE 187           HA       ILE 187   1.745  15.915  -6.322
  452    HB   ILE 187           HB       ILE 187   0.499  13.378  -5.280
  453   1HG1  ILE 187          HG12      ILE 187   2.790  14.264  -4.445
  454   2HG1  ILE 187          HG13      ILE 187   2.694  12.606  -4.981
  455   1HG2  ILE 187          HG21      ILE 187   1.636  13.889  -8.046
  456   2HG2  ILE 187          HG22      ILE 187   1.511  12.269  -7.330
  457   3HG2  ILE 187          HG23      ILE 187   0.048  13.228  -7.613
  458   1HD1  ILE 187          HD11      ILE 187   3.873  13.120  -7.017
  459   2HD1  ILE 187          HD12      ILE 187   3.775  14.876  -6.693
  460   3HD1  ILE 187          HD13      ILE 187   4.758  13.820  -5.660
  461    H    ASP 188           H        ASP 188  -1.621  15.506  -5.253
  462    HA   ASP 188           HA       ASP 188  -2.860  15.984  -7.844
  463   1HB   ASP 188          HB2       ASP 188  -3.799  16.208  -4.954
  464   2HB   ASP 188          HB3       ASP 188  -4.800  16.742  -6.294
  465    H    SER 189           H        SER 189  -1.964  18.071  -5.085
  466    HA   SER 189           HA       SER 189  -2.856  20.574  -6.156
  467   1HB   SER 189          HB2       SER 189  -2.274  19.980  -3.775
  468   2HB   SER 189          HB3       SER 189  -0.564  20.032  -4.225
  469    HG   SER 189           HG       SER 189  -1.586  21.953  -3.268
  470    H    ILE 190           H        ILE 190   0.285  18.888  -6.406
  471    HA   ILE 190           HA       ILE 190   1.572  20.764  -8.167
  472    HB   ILE 190           HB       ILE 190   1.846  17.842  -7.501
  473   1HG1  ILE 190          HG12      ILE 190   2.694  19.635  -5.965
  474   2HG1  ILE 190          HG13      ILE 190   3.873  18.430  -6.451
  475   1HG2  ILE 190          HG21      ILE 190   2.429  17.730  -9.810
  476   2HG2  ILE 190          HG22      ILE 190   3.506  19.138  -9.678
  477   3HG2  ILE 190          HG23      ILE 190   3.903  17.618  -8.842
  478   1HD1  ILE 190          HD11      ILE 190   4.805  20.717  -6.377
  479   2HD1  ILE 190          HD12      ILE 190   4.923  20.027  -8.001
  480   3HD1  ILE 190          HD13      ILE 190   3.671  21.239  -7.633
  481    H    THR 191           H        THR 191  -1.098  18.688  -8.798
  482    HA   THR 191           HA       THR 191  -2.618  18.722 -10.456
  483    HB   THR 191           HB       THR 191  -0.952  21.046 -11.504
  484    HG1  THR 191           HG1      THR 191  -1.875  21.228  -9.357
  485   1HG2  THR 191          HG21      THR 191  -3.811  20.208 -12.134
  486   2HG2  THR 191          HG22      THR 191  -3.094  21.786 -12.529
  487   3HG2  THR 191          HG23      THR 191  -2.458  20.324 -13.290
  488    H    THR 192           H        THR 192   0.632  18.670 -11.602
  489    HA   THR 192           HA       THR 192  -0.092  18.059 -14.349
  490    HB   THR 192           HB       THR 192   2.745  18.443 -13.364
  491    HG1  THR 192           HG1      THR 192   1.507  20.116 -12.351
  492   1HG2  THR 192          HG21      THR 192   2.166  18.120 -15.842
  493   2HG2  THR 192          HG22      THR 192   1.225  19.612 -15.747
  494   3HG2  THR 192          HG23      THR 192   2.978  19.650 -15.462
  495    H    LEU 193           H        LEU 193   1.043  16.155 -11.728
  496    HA   LEU 193           HA       LEU 193   2.068  13.923 -13.374
  497   1HB   LEU 193          HB2       LEU 193   1.598  14.463 -10.425
  498   2HB   LEU 193          HB3       LEU 193   1.693  12.803 -10.981
  499    HG   LEU 193           HG       LEU 193   3.907  13.169 -11.945
  500   1HD1  LEU 193          HD11      LEU 193   3.653  16.004 -10.845
  501   2HD1  LEU 193          HD12      LEU 193   3.960  15.530 -12.531
  502   3HD1  LEU 193          HD13      LEU 193   5.199  15.272 -11.296
  503   1HD2  LEU 193          HD21      LEU 193   3.636  12.432  -9.579
  504   2HD2  LEU 193          HD22      LEU 193   3.792  14.134  -9.076
  505   3HD2  LEU 193          HD23      LEU 193   5.152  13.309  -9.863
  506    HA   PRO 194           HA       PRO 194  -1.741  12.438 -14.585
  507   1HB   PRO 194          HB2       PRO 194  -1.673   9.691 -14.472
  508   2HB   PRO 194          HB3       PRO 194  -0.753  10.681 -15.643
  509   1HG   PRO 194          HG2       PRO 194   0.208   9.458 -13.062
  510   2HG   PRO 194          HG3       PRO 194   1.040   9.498 -14.646
  511   1HD   PRO 194          HD2       PRO 194   1.631  11.256 -12.628
  512   2HD   PRO 194          HD3       PRO 194   1.713  11.731 -14.344
  513    H    ASP 195           H        ASP 195  -0.984  10.325 -11.792
  514    HA   ASP 195           HA       ASP 195  -2.754  11.464  -9.920
  515   1HB   ASP 195          HB2       ASP 195  -4.592  10.440 -11.099
  516   2HB   ASP 195          HB3       ASP 195  -3.706   8.929 -11.306
  517    H    LEU 196           H        LEU 196  -2.622  10.263  -7.933
  518    HA   LEU 196           HA       LEU 196  -0.647   8.090  -7.751
  519   1HB   LEU 196          HB2       LEU 196   0.367  10.344  -7.026
  520   2HB   LEU 196          HB3       LEU 196  -0.811  10.387  -5.747
  521    HG   LEU 196           HG       LEU 196   0.160   8.316  -4.777
  522   1HD1  LEU 196          HD11      LEU 196   2.396   7.519  -5.670
  523   2HD1  LEU 196          HD12      LEU 196   1.037   7.145  -6.723
  524   3HD1  LEU 196          HD13      LEU 196   2.119   8.509  -7.111
  525   1HD2  LEU 196          HD21      LEU 196   1.021  10.559  -4.130
  526   2HD2  LEU 196          HD22      LEU 196   2.317   9.352  -4.091
  527   3HD2  LEU 196          HD23      LEU 196   2.206  10.477  -5.452
  528    H    THR 197           H        THR 197  -2.235   6.520  -7.484
  529    HA   THR 197           HA       THR 197  -4.460   6.930  -5.575
  530    HB   THR 197           HB       THR 197  -3.835   4.859  -7.651
  531    HG1  THR 197           HG1      THR 197  -5.061   6.779  -8.114
  532   1HG2  THR 197          HG21      THR 197  -4.603   3.453  -5.774
  533   2HG2  THR 197          HG22      THR 197  -5.917   4.608  -5.428
  534   3HG2  THR 197          HG23      THR 197  -5.915   3.668  -6.935
  535    HA   PRO 198           HA       PRO 198  -1.926   4.754  -2.538
  536   1HB   PRO 198          HB2       PRO 198  -3.010   5.683  -0.250
  537   2HB   PRO 198          HB3       PRO 198  -2.051   6.726  -1.339
  538   1HG   PRO 198          HG2       PRO 198  -5.053   6.499  -1.159
  539   2HG   PRO 198          HG3       PRO 198  -4.081   7.987  -1.231
  540   1HD   PRO 198          HD2       PRO 198  -5.321   6.778  -3.413
  541   2HD   PRO 198          HD3       PRO 198  -3.856   7.791  -3.533
  542    H    LEU 199           H        LEU 199  -2.036   2.736  -2.045
  543    HA   LEU 199           HA       LEU 199  -4.646   1.352  -1.666
  544   1HB   LEU 199          HB2       LEU 199  -3.276   1.067  -3.833
  545   2HB   LEU 199          HB3       LEU 199  -2.035   0.316  -2.850
  546    HG   LEU 199           HG       LEU 199  -3.858  -1.372  -2.101
  547   1HD1  LEU 199          HD11      LEU 199  -5.854  -0.170  -2.818
  548   2HD1  LEU 199          HD12      LEU 199  -5.257  -0.057  -4.488
  549   3HD1  LEU 199          HD13      LEU 199  -5.717  -1.626  -3.813
  550   1HD2  LEU 199          HD21      LEU 199  -3.576  -2.724  -4.146
  551   2HD2  LEU 199          HD22      LEU 199  -3.014  -1.289  -5.035
  552   3HD2  LEU 199          HD23      LEU 199  -2.059  -1.946  -3.687
  553    H    PHE 200           H        PHE 200  -4.744   1.323   0.540
  554    HA   PHE 200           HA       PHE 200  -2.478   0.403   2.199
  555   1HB   PHE 200          HB2       PHE 200  -3.891   2.192   3.024
  556   2HB   PHE 200          HB3       PHE 200  -5.347   1.230   2.797
  557    HD1  PHE 200           HD1      PHE 200  -2.384   1.800   4.917
  558    HD2  PHE 200           HD2      PHE 200  -5.920  -0.600   4.362
  559    HE1  PHE 200           HE1      PHE 200  -2.216   1.006   7.260
  560    HE2  PHE 200           HE2      PHE 200  -5.713  -1.442   6.678
  561    HZ   PHE 200           HZ       PHE 200  -3.870  -0.635   8.145
  562    H    ILE 201           H        ILE 201  -2.051  -1.725   2.389
  563    HA   ILE 201           HA       ILE 201  -4.229  -3.739   1.992
  564    HB   ILE 201           HB       ILE 201  -1.202  -3.959   1.832
  565   1HG1  ILE 201          HG12      ILE 201  -3.359  -4.309  -0.307
  566   2HG1  ILE 201          HG13      ILE 201  -2.414  -2.836  -0.099
  567   1HG2  ILE 201          HG21      ILE 201  -3.313  -6.133   1.476
  568   2HG2  ILE 201          HG22      ILE 201  -1.567  -6.315   1.195
  569   3HG2  ILE 201          HG23      ILE 201  -2.152  -6.028   2.814
  570   1HD1  ILE 201          HD11      ILE 201  -1.266  -5.539  -0.852
  571   2HD1  ILE 201          HD12      ILE 201  -1.497  -4.144  -1.910
  572   3HD1  ILE 201          HD13      ILE 201  -0.330  -4.054  -0.571
  573    H    SER 202           H        SER 202  -5.164  -4.452   3.749
  574    HA   SER 202           HA       SER 202  -3.996  -4.284   6.383
  575   1HB   SER 202          HB2       SER 202  -6.399  -4.110   5.975
  576   2HB   SER 202          HB3       SER 202  -6.429  -5.778   5.370
  577    HG   SER 202           HG       SER 202  -7.047  -5.442   7.603
  578    H    ILE 203           H        ILE 203  -2.652  -5.631   7.339
  579    HA   ILE 203           HA       ILE 203  -2.577  -8.519   6.595
  580    HB   ILE 203           HB       ILE 203  -0.446  -8.678   7.689
  581   1HG1  ILE 203          HG12      ILE 203  -0.387  -5.673   8.146
  582   2HG1  ILE 203          HG13      ILE 203  -0.903  -6.797   9.403
  583   1HG2  ILE 203          HG21      ILE 203  -0.572  -8.045   5.294
  584   2HG2  ILE 203          HG22      ILE 203  -0.439  -6.334   5.745
  585   3HG2  ILE 203          HG23      ILE 203   0.898  -7.454   6.075
  586   1HD1  ILE 203          HD11      ILE 203   1.409  -6.327   9.767
  587   2HD1  ILE 203          HD12      ILE 203   1.292  -7.994   9.189
  588   3HD1  ILE 203          HD13      ILE 203   1.833  -6.705   8.086
  589    H    ASP 204           H        ASP 204  -4.562  -7.042   8.470
  590    HA   ASP 204           HA       ASP 204  -4.107  -8.698  10.930
  591   1HB   ASP 204          HB2       ASP 204  -4.105  -6.114  10.939
  592   2HB   ASP 204          HB3       ASP 204  -5.821  -6.209  10.679
  593    HA   PRO 205           HA       PRO 205  -8.225  -9.692   8.608
  594   1HB   PRO 205          HB2       PRO 205  -7.833 -11.950   7.179
  595   2HB   PRO 205          HB3       PRO 205  -7.083 -10.413   6.664
  596   1HG   PRO 205          HG2       PRO 205  -5.805 -12.558   8.427
  597   2HG   PRO 205          HG3       PRO 205  -5.197 -11.950   6.852
  598   1HD   PRO 205          HD2       PRO 205  -4.337 -10.827   9.150
  599   2HD   PRO 205          HD3       PRO 205  -4.757  -9.820   7.723
  600    H    GLU 206           H        GLU 206  -7.364 -10.366  11.344
  601    HA   GLU 206           HA       GLU 206  -8.997 -12.776  11.896
  602   1HB   GLU 206          HB2       GLU 206  -6.486 -13.205  11.643
  603   2HB   GLU 206          HB3       GLU 206  -6.261 -12.320  13.151
  604   1HG   GLU 206          HG2       GLU 206  -7.308 -14.031  14.415
  605   2HG   GLU 206          HG3       GLU 206  -8.250 -14.613  13.022
  606    H    ARG 207           H        ARG 207  -9.517 -10.052  12.007
  607    HA   ARG 207           HA       ARG 207 -10.976  -9.480  14.212
  608   1HB   ARG 207          HB2       ARG 207  -9.692  -7.815  15.500
  609   2HB   ARG 207          HB3       ARG 207  -9.094  -9.445  15.735
  610   1HG   ARG 207          HG2       ARG 207  -7.151  -9.041  14.350
  611   2HG   ARG 207          HG3       ARG 207  -7.848  -7.553  13.702
  612   1HD   ARG 207          HD2       ARG 207  -6.271  -6.807  15.216
  613   2HD   ARG 207          HD3       ARG 207  -7.804  -6.574  16.020
  614    HE   ARG 207           HE       ARG 207  -7.263  -8.349  17.542
  615   1HH1  ARG 207          HH22      ARG 207  -4.711  -8.157  15.077
  616   2HH1  ARG 207          HH21      ARG 207  -3.494  -8.743  16.191
  617   1HH2  ARG 207          HH12      ARG 207  -5.559  -9.049  18.934
  618   2HH2  ARG 207          HH11      ARG 207  -3.960  -9.202  18.232
  619    H    ASP 208           H        ASP 208  -8.979  -8.224  11.566
  620    HA   ASP 208           HA       ASP 208 -10.179  -5.638  11.432
  621   1HB   ASP 208          HB2       ASP 208  -8.047  -6.343  10.381
  622   2HB   ASP 208          HB3       ASP 208  -8.953  -7.303   9.198
  623    H    THR 209           H        THR 209 -11.487  -4.892   9.484
  624    HA   THR 209           HA       THR 209 -13.516  -6.772   8.489
  625    HB   THR 209           HB       THR 209 -14.165  -4.740  10.636
  626    HG1  THR 209           HG1      THR 209 -13.680  -7.164  10.789
  627   1HG2  THR 209          HG21      THR 209 -16.127  -6.074   8.711
  628   2HG2  THR 209          HG22      THR 209 -16.572  -5.288  10.238
  629   3HG2  THR 209          HG23      THR 209 -15.876  -4.325   8.934
  630    H    LYS 210           H        LYS 210 -14.338  -6.168   6.645
  631    HA   LYS 210           HA       LYS 210 -13.172  -4.195   5.047
  632   1HB   LYS 210          HB2       LYS 210 -14.138  -6.266   4.318
  633   2HB   LYS 210          HB3       LYS 210 -15.748  -5.802   4.832
  634   1HG   LYS 210          HG2       LYS 210 -14.251  -4.265   2.667
  635   2HG   LYS 210          HG3       LYS 210 -15.126  -5.765   2.322
  636   1HD   LYS 210          HD2       LYS 210 -17.155  -4.760   3.417
  637   2HD   LYS 210          HD3       LYS 210 -16.313  -3.196   3.417
  638   1HE   LYS 210          HE2       LYS 210 -16.114  -3.562   0.867
  639   2HE   LYS 210          HE3       LYS 210 -17.263  -4.899   1.100
  640   1HZ   LYS 210          HZ1       LYS 210 -18.538  -2.930   0.643
  641   2HZ   LYS 210          HZ2       LYS 210 -18.673  -3.184   2.298
  642   3HZ   LYS 210          HZ3       LYS 210 -17.667  -2.046   1.716
  643    H    GLU 211           H        GLU 211 -16.548  -3.895   6.461
  644    HA   GLU 211           HA       GLU 211 -16.779  -1.151   5.899
  645   1HB   GLU 211          HB2       GLU 211 -18.085  -3.007   7.914
  646   2HB   GLU 211          HB3       GLU 211 -18.454  -1.290   7.904
  647   1HG   GLU 211          HG2       GLU 211 -20.121  -2.505   6.624
  648   2HG   GLU 211          HG3       GLU 211 -19.244  -1.345   5.630
  649    H    ALA 212           H        ALA 212 -14.811  -2.539   8.492
  650    HA   ALA 212           HA       ALA 212 -14.802  -0.054  10.072
  651   1HB   ALA 212          HB1       ALA 212 -14.458  -2.279  11.135
  652   2HB   ALA 212          HB2       ALA 212 -12.960  -2.488  10.199
  653   3HB   ALA 212          HB3       ALA 212 -13.086  -1.185  11.386
  654    H    ILE 213           H        ILE 213 -12.556  -1.721   7.831
  655    HA   ILE 213           HA       ILE 213 -10.634   0.379   7.580
  656    HB   ILE 213           HB       ILE 213 -11.546  -1.781   5.648
  657   1HG1  ILE 213          HG12      ILE 213 -10.459  -2.673   7.613
  658   2HG1  ILE 213          HG13      ILE 213  -9.412  -2.846   6.219
  659   1HG2  ILE 213          HG21      ILE 213 -10.631  -0.065   4.244
  660   2HG2  ILE 213          HG22      ILE 213  -9.232   0.168   5.299
  661   3HG2  ILE 213          HG23      ILE 213  -9.428  -1.350   4.389
  662   1HD1  ILE 213          HD11      ILE 213  -8.005  -2.227   7.994
  663   2HD1  ILE 213          HD12      ILE 213  -8.140  -0.767   7.025
  664   3HD1  ILE 213          HD13      ILE 213  -9.069  -0.919   8.538
  665    H    ALA 214           H        ALA 214 -13.767   0.030   5.887
  666    HA   ALA 214           HA       ALA 214 -13.497   2.237   4.144
  667   1HB   ALA 214          HB1       ALA 214 -16.013   1.292   5.597
  668   2HB   ALA 214          HB2       ALA 214 -15.946   2.207   4.080
  669   3HB   ALA 214          HB3       ALA 214 -15.352   0.536   4.135
  670    H    ASN 215           H        ASN 215 -14.162   2.285   7.623
  671    HA   ASN 215           HA       ASN 215 -14.639   5.196   7.666
  672   1HB   ASN 215          HB2       ASN 215 -14.418   3.087   9.836
  673   2HB   ASN 215          HB3       ASN 215 -14.573   4.809  10.162
  674   1HD2  ASN 215          HD21      ASN 215 -16.340   1.944   8.854
  675   2HD2  ASN 215          HD22      ASN 215 -17.883   2.769   8.923
  676    H    TYR 216           H        TYR 216 -11.959   2.978   8.609
  677    HA   TYR 216           HA       TYR 216 -10.035   4.915   9.312
  678   1HB   TYR 216          HB2       TYR 216  -9.898   2.368   9.415
  679   2HB   TYR 216          HB3       TYR 216  -9.479   2.389   7.712
  680    HD1  TYR 216           HD1      TYR 216  -8.338   3.077  11.127
  681    HD2  TYR 216           HD2      TYR 216  -7.261   3.221   6.953
  682    HE1  TYR 216           HE1      TYR 216  -5.944   3.278  11.756
  683    HE2  TYR 216           HE2      TYR 216  -4.864   3.428   7.586
  684    HH   TYR 216           HH       TYR 216  -3.780   3.347  10.986
  685    H    VAL 217           H        VAL 217 -10.898   3.779   6.065
  686    HA   VAL 217           HA       VAL 217  -9.232   5.440   4.485
  687    HB   VAL 217           HB       VAL 217 -11.888   4.090   4.064
  688   1HG1  VAL 217          HG11      VAL 217 -10.651   6.037   2.094
  689   2HG1  VAL 217          HG12      VAL 217 -11.766   4.739   1.620
  690   3HG1  VAL 217          HG13      VAL 217 -12.316   5.998   2.700
  691   1HG2  VAL 217          HG21      VAL 217  -9.720   2.823   4.032
  692   2HG2  VAL 217          HG22      VAL 217 -10.645   2.709   2.535
  693   3HG2  VAL 217          HG23      VAL 217  -9.238   3.772   2.618
  694    H    LYS 218           H        LYS 218 -12.706   6.175   5.311
  695    HA   LYS 218           HA       LYS 218 -12.748   8.695   4.058
  696   1HB   LYS 218          HB2       LYS 218 -14.197   7.535   6.443
  697   2HB   LYS 218          HB3       LYS 218 -14.607   9.134   5.798
  698   1HG   LYS 218          HG2       LYS 218 -15.250   8.150   3.659
  699   2HG   LYS 218          HG3       LYS 218 -14.850   6.536   4.246
  700   1HD   LYS 218          HD2       LYS 218 -17.001   8.399   5.381
  701   2HD   LYS 218          HD3       LYS 218 -17.254   6.968   4.385
  702   1HE   LYS 218          HE2       LYS 218 -17.693   6.046   6.432
  703   2HE   LYS 218          HE3       LYS 218 -15.970   5.700   6.299
  704   1HZ   LYS 218          HZ1       LYS 218 -15.576   7.688   7.761
  705   2HZ   LYS 218          HZ2       LYS 218 -17.169   7.946   7.861
  706   3HZ   LYS 218          HZ3       LYS 218 -16.488   6.589   8.482
  707    H    GLU 219           H        GLU 219 -12.112   7.994   7.472
  708    HA   GLU 219           HA       GLU 219 -11.967  10.703   8.300
  709   1HB   GLU 219          HB2       GLU 219 -11.286   8.029   9.567
  710   2HB   GLU 219          HB3       GLU 219 -10.957   9.543  10.396
  711   1HG   GLU 219          HG2       GLU 219 -13.072   8.713  11.165
  712   2HG   GLU 219          HG3       GLU 219 -13.307  10.209  10.270
  713    H    PHE 220           H        PHE 220  -9.379   8.558   7.117
  714    HA   PHE 220           HA       PHE 220  -7.375  10.672   7.675
  715   1HB   PHE 220          HB2       PHE 220  -7.243   7.873   6.534
  716   2HB   PHE 220          HB3       PHE 220  -5.959   9.023   6.209
  717    HD1  PHE 220           HD1      PHE 220  -4.978  10.361   8.238
  718    HD2  PHE 220           HD2      PHE 220  -7.025   6.575   8.570
  719    HE1  PHE 220           HE1      PHE 220  -3.979  10.011  10.475
  720    HE2  PHE 220           HE2      PHE 220  -6.025   6.235  10.804
  721    HZ   PHE 220           HZ       PHE 220  -4.523   7.973  11.779
  722    H    SER 221           H        SER 221  -8.961   9.234   4.785
  723    HA   SER 221           HA       SER 221  -9.737  11.615   3.698
  724   1HB   SER 221          HB2       SER 221  -7.562  12.417   3.183
  725   2HB   SER 221          HB3       SER 221  -7.044  10.836   2.574
  726    HG   SER 221           HG       SER 221  -7.561  12.495   0.976
  727    HA   PRO 222           HA       PRO 222 -11.814   8.275   1.650
  728   1HB   PRO 222          HB2       PRO 222 -13.486   9.602  -0.087
  729   2HB   PRO 222          HB3       PRO 222 -13.708   9.571   1.689
  730   1HG   PRO 222          HG2       PRO 222 -12.333  11.708   0.025
  731   2HG   PRO 222          HG3       PRO 222 -13.606  11.929   1.273
  732   1HD   PRO 222          HD2       PRO 222 -10.986  12.254   1.870
  733   2HD   PRO 222          HD3       PRO 222 -12.085  11.446   3.031
  734    H    LYS 223           H        LYS 223  -9.503  10.171  -0.034
  735    HA   LYS 223           HA       LYS 223  -9.699   8.633  -2.539
  736   1HB   LYS 223          HB2       LYS 223  -8.789  10.981  -2.413
  737   2HB   LYS 223          HB3       LYS 223  -7.389  10.355  -1.532
  738   1HG   LYS 223          HG2       LYS 223  -6.723   9.010  -3.461
  739   2HG   LYS 223          HG3       LYS 223  -8.231   9.386  -4.307
  740   1HD   LYS 223          HD2       LYS 223  -7.529  11.745  -4.539
  741   2HD   LYS 223          HD3       LYS 223  -6.080  11.418  -3.587
  742   1HE   LYS 223          HE2       LYS 223  -5.503   9.607  -5.359
  743   2HE   LYS 223          HE3       LYS 223  -6.818  10.275  -6.326
  744   1HZ   LYS 223          HZ1       LYS 223  -4.314  11.631  -5.547
  745   2HZ   LYS 223          HZ2       LYS 223  -4.848  11.263  -7.061
  746   3HZ   LYS 223          HZ3       LYS 223  -5.529  12.469  -6.167
  747    H    LEU 224           H        LEU 224  -8.736   7.815   0.627
  748    HA   LEU 224           HA       LEU 224  -6.636   5.952  -0.108
  749   1HB   LEU 224          HB2       LEU 224  -6.964   6.933   2.209
  750   2HB   LEU 224          HB3       LEU 224  -8.369   5.904   2.373
  751    HG   LEU 224           HG       LEU 224  -6.834   3.889   1.956
  752   1HD1  LEU 224          HD11      LEU 224  -4.679   6.036   2.216
  753   2HD1  LEU 224          HD12      LEU 224  -4.379   4.297   2.345
  754   3HD1  LEU 224          HD13      LEU 224  -4.966   4.959   0.828
  755   1HD2  LEU 224          HD21      LEU 224  -6.371   5.687   4.358
  756   2HD2  LEU 224          HD22      LEU 224  -7.474   4.305   4.215
  757   3HD2  LEU 224          HD23      LEU 224  -5.743   4.022   4.239
  758    H    VAL 225           H        VAL 225  -6.770   4.027  -0.997
  759    HA   VAL 225           HA       VAL 225  -9.417   2.661  -1.142
  760    HB   VAL 225           HB       VAL 225  -6.824   1.885  -2.519
  761   1HG1  VAL 225          HG11      VAL 225  -9.713   1.019  -3.029
  762   2HG1  VAL 225          HG12      VAL 225  -8.249   0.416  -3.827
  763   3HG1  VAL 225          HG13      VAL 225  -8.529   0.063  -2.121
  764   1HG2  VAL 225          HG21      VAL 225  -7.550   4.036  -3.456
  765   2HG2  VAL 225          HG22      VAL 225  -7.879   2.736  -4.607
  766   3HG2  VAL 225          HG23      VAL 225  -9.208   3.420  -3.645
  767    H    GLY 226           H        GLY 226  -9.817   1.269   0.447
  768   1HA   GLY 226          HA1       GLY 226  -7.578   0.154   2.096
  769   2HA   GLY 226          HA2       GLY 226  -9.294   0.263   2.539
  770    H    LEU 227           H        LEU 227  -6.968  -1.883   1.730
  771    HA   LEU 227           HA       LEU 227  -8.859  -3.822   0.451
  772   1HB   LEU 227          HB2       LEU 227  -6.017  -3.109  -0.025
  773   2HB   LEU 227          HB3       LEU 227  -6.316  -4.835   0.135
  774    HG   LEU 227           HG       LEU 227  -7.946  -4.778  -1.695
  775   1HD1  LEU 227          HD11      LEU 227  -7.206  -1.829  -1.821
  776   2HD1  LEU 227          HD12      LEU 227  -8.812  -2.515  -1.534
  777   3HD1  LEU 227          HD13      LEU 227  -8.050  -2.703  -3.124
  778   1HD2  LEU 227          HD21      LEU 227  -5.507  -5.186  -2.112
  779   2HD2  LEU 227          HD22      LEU 227  -6.297  -4.400  -3.494
  780   3HD2  LEU 227          HD23      LEU 227  -5.274  -3.461  -2.381
  781    H    THR 228           H        THR 228  -9.195  -5.686   1.296
  782    HA   THR 228           HA       THR 228  -7.680  -6.755   3.613
  783    HB   THR 228           HB       THR 228  -9.731  -7.299   4.818
  784    HG1  THR 228           HG1      THR 228 -10.836  -7.053   2.562
  785   1HG2  THR 228          HG21      THR 228  -8.750  -5.000   5.214
  786   2HG2  THR 228          HG22      THR 228 -10.470  -5.167   5.600
  787   3HG2  THR 228          HG23      THR 228  -9.975  -4.347   4.103
  788    H    GLY 229           H        GLY 229  -8.410  -9.090   3.992
  789   1HA   GLY 229          HA1       GLY 229 -10.026 -10.380   1.969
  790   2HA   GLY 229          HA2       GLY 229  -8.329 -10.752   1.759
  791    H    THR 230           H        THR 230  -9.522 -12.881   2.200
  792    HA   THR 230           HA       THR 230  -9.468 -13.698   5.032
  793    HB   THR 230           HB       THR 230 -10.792 -14.963   3.410
  794    HG1  THR 230           HG1      THR 230  -8.908 -16.835   4.094
  795   1HG2  THR 230          HG21      THR 230  -8.117 -15.663   2.127
  796   2HG2  THR 230          HG22      THR 230  -9.634 -16.543   1.857
  797   3HG2  THR 230          HG23      THR 230  -9.493 -14.847   1.365
  798    H    ARG 231           H        ARG 231  -7.769 -15.227   5.781
  799    HA   ARG 231           HA       ARG 231  -5.191 -14.149   5.857
  800   1HB   ARG 231          HB2       ARG 231  -5.738 -15.751   7.461
  801   2HB   ARG 231          HB3       ARG 231  -6.285 -16.941   6.278
  802   1HG   ARG 231          HG2       ARG 231  -4.081 -17.520   5.609
  803   2HG   ARG 231          HG3       ARG 231  -3.364 -16.089   6.372
  804   1HD   ARG 231          HD2       ARG 231  -4.743 -18.289   7.944
  805   2HD   ARG 231          HD3       ARG 231  -3.017 -18.302   7.551
  806    HE   ARG 231           HE       ARG 231  -2.801 -16.110   8.685
  807   1HH1  ARG 231          HH22      ARG 231  -5.708 -17.962   9.643
  808   2HH1  ARG 231          HH21      ARG 231  -5.821 -17.048  11.138
  809   1HH2  ARG 231          HH12      ARG 231  -3.087 -15.059  10.683
  810   2HH2  ARG 231          HH11      ARG 231  -4.415 -15.552  11.682
  811    H    GLU 232           H        GLU 232  -6.410 -16.546   3.548
  812    HA   GLU 232           HA       GLU 232  -3.965 -17.162   2.287
  813   1HB   GLU 232          HB2       GLU 232  -6.794 -17.309   1.158
  814   2HB   GLU 232          HB3       GLU 232  -5.381 -18.126   0.514
  815   1HG   GLU 232          HG2       GLU 232  -6.759 -19.683   1.797
  816   2HG   GLU 232          HG3       GLU 232  -5.160 -19.495   2.521
  817    H    GLU 233           H        GLU 233  -6.253 -14.478   1.546
  818    HA   GLU 233           HA       GLU 233  -4.788 -13.695  -0.874
  819   1HB   GLU 233          HB2       GLU 233  -6.892 -12.270   0.793
  820   2HB   GLU 233          HB3       GLU 233  -6.120 -11.586  -0.639
  821   1HG   GLU 233          HG2       GLU 233  -6.950 -13.547  -1.984
  822   2HG   GLU 233          HG3       GLU 233  -7.865 -14.073  -0.568
  823    H    VAL 234           H        VAL 234  -4.808 -12.765   2.552
  824    HA   VAL 234           HA       VAL 234  -2.777 -10.741   2.360
  825    HB   VAL 234           HB       VAL 234  -3.758 -12.418   4.697
  826   1HG1  VAL 234          HG11      VAL 234  -2.743 -10.732   6.184
  827   2HG1  VAL 234          HG12      VAL 234  -1.513 -11.623   5.294
  828   3HG1  VAL 234          HG13      VAL 234  -1.944  -9.975   4.782
  829   1HG2  VAL 234          HG21      VAL 234  -4.368  -9.604   3.709
  830   2HG2  VAL 234          HG22      VAL 234  -5.485 -10.978   3.794
  831   3HG2  VAL 234          HG23      VAL 234  -4.892 -10.232   5.279
  832    H    ASP 235           H        ASP 235  -2.526 -14.307   2.628
  833    HA   ASP 235           HA       ASP 235   0.381 -14.343   2.793
  834   1HB   ASP 235          HB2       ASP 235  -0.862 -16.379   3.307
  835   2HB   ASP 235          HB3       ASP 235  -1.566 -16.410   1.692
  836    H    GLN 236           H        GLN 236  -1.902 -14.824   0.013
  837    HA   GLN 236           HA       GLN 236  -0.074 -14.885  -2.025
  838   1HB   GLN 236          HB2       GLN 236  -2.454 -15.231  -2.389
  839   2HB   GLN 236          HB3       GLN 236  -2.794 -13.538  -2.007
  840   1HG   GLN 236          HG2       GLN 236  -1.500 -12.813  -4.013
  841   2HG   GLN 236          HG3       GLN 236  -1.163 -14.501  -4.406
  842   1HE2  GLN 236          HE21      GLN 236  -4.406 -13.764  -3.145
  843   2HE2  GLN 236          HE22      GLN 236  -5.146 -13.748  -4.744
  844    H    VAL 237           H        VAL 237  -1.513 -11.719  -0.885
  845    HA   VAL 237           HA       VAL 237   0.162 -10.375  -2.843
  846    HB   VAL 237           HB       VAL 237  -2.017  -9.552  -2.137
  847   1HG1  VAL 237          HG11      VAL 237  -1.806  -9.794   0.344
  848   2HG1  VAL 237          HG12      VAL 237  -0.616  -8.488   0.363
  849   3HG1  VAL 237          HG13      VAL 237  -2.280  -8.156  -0.132
  850   1HG2  VAL 237          HG21      VAL 237  -0.331  -8.160  -3.360
  851   2HG2  VAL 237          HG22      VAL 237  -1.512  -7.232  -2.425
  852   3HG2  VAL 237          HG23      VAL 237   0.142  -7.445  -1.813
  853    H    ALA 238           H        ALA 238   0.606 -10.998   0.637
  854    HA   ALA 238           HA       ALA 238   2.882  -9.185   0.886
  855   1HB   ALA 238          HB1       ALA 238   3.126 -10.229   3.090
  856   2HB   ALA 238          HB2       ALA 238   1.421  -9.824   2.790
  857   3HB   ALA 238          HB3       ALA 238   1.986 -11.509   2.640
  858    H    ARG 239           H        ARG 239   2.405 -12.555   0.056
  859    HA   ARG 239           HA       ARG 239   5.205 -13.326   0.121
  860   1HB   ARG 239          HB2       ARG 239   3.192 -14.721   0.624
  861   2HB   ARG 239          HB3       ARG 239   2.795 -14.733  -1.102
  862   1HG   ARG 239          HG2       ARG 239   4.853 -16.016  -1.558
  863   2HG   ARG 239          HG3       ARG 239   5.363 -15.818   0.142
  864   1HD   ARG 239          HD2       ARG 239   3.159 -16.877   0.813
  865   2HD   ARG 239          HD3       ARG 239   2.894 -17.313  -0.871
  866    HE   ARG 239           HE       ARG 239   5.180 -18.527  -0.602
  867   1HH1  ARG 239          HH22      ARG 239   2.732 -18.286   1.993
  868   2HH1  ARG 239          HH21      ARG 239   3.238 -19.753   2.735
  869   1HH2  ARG 239          HH12      ARG 239   5.805 -20.425   0.457
  870   2HH2  ARG 239          HH11      ARG 239   4.957 -20.937   1.893
  871    H    ALA 240           H        ALA 240   2.843 -12.416  -2.470
  872    HA   ALA 240           HA       ALA 240   4.692 -12.596  -4.649
  873   1HB   ALA 240          HB1       ALA 240   3.055 -11.139  -5.797
  874   2HB   ALA 240          HB2       ALA 240   2.234 -12.446  -4.927
  875   3HB   ALA 240          HB3       ALA 240   2.244 -10.804  -4.254
  876    H    TYR 241           H        TYR 241   3.780  -9.666  -2.679
  877    HA   TYR 241           HA       TYR 241   5.977  -8.130  -3.849
  878   1HB   TYR 241          HB2       TYR 241   3.939  -7.638  -1.671
  879   2HB   TYR 241          HB3       TYR 241   5.310  -6.580  -1.818
  880    HD1  TYR 241           HD1      TYR 241   2.076  -7.372  -3.211
  881    HD2  TYR 241           HD2      TYR 241   5.833  -5.428  -4.018
  882    HE1  TYR 241           HE1      TYR 241   1.024  -6.127  -5.077
  883    HE2  TYR 241           HE2      TYR 241   4.785  -4.194  -5.909
  884    HH   TYR 241           HH       TYR 241   1.425  -4.834  -6.926
  885    H    ARG 242           H        ARG 242   6.072 -10.562  -1.605
  886    HA   ARG 242           HA       ARG 242   7.559 -11.351  -0.108
  887   1HB   ARG 242          HB2       ARG 242   8.824 -11.183  -2.316
  888   2HB   ARG 242          HB3       ARG 242   9.615  -9.741  -1.665
  889   1HG   ARG 242          HG2       ARG 242  10.355 -11.207   0.321
  890   2HG   ARG 242          HG3       ARG 242   9.712 -12.594  -0.564
  891   1HD   ARG 242          HD2       ARG 242  11.282 -12.237  -2.373
  892   2HD   ARG 242          HD3       ARG 242  11.803 -10.684  -1.686
  893    HE   ARG 242           HE       ARG 242  12.479 -12.075   0.357
  894   1HH1  ARG 242          HH22      ARG 242  12.873 -13.287  -2.942
  895   2HH1  ARG 242          HH21      ARG 242  14.189 -14.339  -2.504
  896   1HH2  ARG 242          HH12      ARG 242  14.145 -13.462   0.868
  897   2HH2  ARG 242          HH11      ARG 242  14.880 -14.448  -0.360
  898    H    VAL 243           H        VAL 243   6.270  -9.616   1.255
  899    HA   VAL 243           HA       VAL 243   8.220  -7.757   2.613
  900    HB   VAL 243           HB       VAL 243   6.112  -6.592   3.480
  901   1HG1  VAL 243          HG11      VAL 243   7.691  -5.602   1.880
  902   2HG1  VAL 243          HG12      VAL 243   6.861  -6.421   0.543
  903   3HG1  VAL 243          HG13      VAL 243   6.027  -5.153   1.473
  904   1HG2  VAL 243          HG21      VAL 243   4.447  -8.306   2.697
  905   2HG2  VAL 243          HG22      VAL 243   4.125  -6.685   2.106
  906   3HG2  VAL 243          HG23      VAL 243   4.842  -7.874   1.015
  907    H    TYR 244           H        TYR 244   8.783  -8.148   4.599
  908    HA   TYR 244           HA       TYR 244   7.803 -10.482   5.969
  909   1HB   TYR 244          HB2       TYR 244  10.045 -10.144   6.297
  910   2HB   TYR 244          HB3       TYR 244   9.909  -8.406   6.427
  911    HD1  TYR 244           HD1      TYR 244   9.456  -7.288   8.517
  912    HD2  TYR 244           HD2      TYR 244   9.585 -11.593   8.315
  913    HE1  TYR 244           HE1      TYR 244   9.412  -7.389  10.983
  914    HE2  TYR 244           HE2      TYR 244   9.609 -11.694  10.802
  915    HH   TYR 244           HH       TYR 244   9.386  -8.711  12.815
  916    H    TYR 245           H        TYR 245   6.560 -10.803   7.642
  917    HA   TYR 245           HA       TYR 245   6.063  -8.793   9.601
  918   1HB   TYR 245          HB2       TYR 245   3.626  -9.051   9.736
  919   2HB   TYR 245          HB3       TYR 245   4.121  -8.295   8.241
  920    HD1  TYR 245           HD1      TYR 245   3.179  -9.056   6.219
  921    HD2  TYR 245           HD2      TYR 245   3.125 -11.649   9.663
  922    HE1  TYR 245           HE1      TYR 245   1.677 -10.638   5.022
  923    HE2  TYR 245           HE2      TYR 245   1.701 -13.263   8.428
  924    HH   TYR 245           HH       TYR 245   0.626 -12.684   5.058
  925    H    SER 246           H        SER 246   5.280  -9.736  11.643
  926    HA   SER 246           HA       SER 246   5.411 -12.708  11.825
  927   1HB   SER 246          HB2       SER 246   7.729 -11.825  12.024
  928   2HB   SER 246          HB3       SER 246   7.213 -10.903  13.450
  929    HG   SER 246           HG       SER 246   7.922 -12.784  14.261
  930    HA   PRO 247           HA       PRO 247   2.367 -11.341  14.921
  931   1HB   PRO 247          HB2       PRO 247   1.074 -13.670  15.367
  932   2HB   PRO 247          HB3       PRO 247   0.905 -12.795  13.815
  933   1HG   PRO 247          HG2       PRO 247   2.731 -15.133  14.450
  934   2HG   PRO 247          HG3       PRO 247   1.639 -14.934  13.044
  935   1HD   PRO 247          HD2       PRO 247   4.325 -14.329  12.965
  936   2HD   PRO 247          HD3       PRO 247   3.110 -13.436  11.995
  937    H    GLY 248           H        GLY 248   2.126 -11.469  17.132
  938   1HA   GLY 248          HA1       GLY 248   4.120 -12.984  18.744
  939   2HA   GLY 248          HA2       GLY 248   2.937 -11.798  19.340
  940    HA   PRO 249           HA       PRO 249   1.044 -15.993  20.113
  941   1HB   PRO 249          HB2       PRO 249   1.374 -16.257  22.787
  942   2HB   PRO 249          HB3       PRO 249   2.720 -16.605  21.664
  943   1HG   PRO 249          HG2       PRO 249   2.198 -14.042  23.203
  944   2HG   PRO 249          HG3       PRO 249   3.720 -14.980  23.122
  945   1HD   PRO 249          HD2       PRO 249   3.182 -12.807  21.506
  946   2HD   PRO 249          HD3       PRO 249   4.209 -14.174  20.974
  947    H    LYS 250           H        LYS 250  -0.742 -16.236  22.039
  948    HA   LYS 250           HA       LYS 250  -2.369 -13.797  22.325
  949   1HB   LYS 250          HB2       LYS 250  -2.410 -16.545  23.651
  950   2HB   LYS 250          HB3       LYS 250  -3.534 -15.270  24.083
  951   1HG   LYS 250          HG2       LYS 250  -3.383 -16.134  21.178
  952   2HG   LYS 250          HG3       LYS 250  -4.157 -17.192  22.352
  953   1HD   LYS 250          HD2       LYS 250  -5.831 -15.800  21.282
  954   2HD   LYS 250          HD3       LYS 250  -5.730 -15.432  23.008
  955   1HE   LYS 250          HE2       LYS 250  -4.346 -13.449  22.524
  956   2HE   LYS 250          HE3       LYS 250  -4.431 -13.793  20.778
  957   1HZ   LYS 250          HZ1       LYS 250  -6.111 -12.132  21.804
  958   2HZ   LYS 250          HZ2       LYS 250  -6.810 -13.399  22.482
  959   3HZ   LYS 250          HZ3       LYS 250  -6.823 -13.333  20.893
  960    H    ASP 251           H        ASP 251  -1.960 -12.214  23.852
  961    HA   ASP 251           HA       ASP 251  -0.243 -12.880  26.153
  962   1HB   ASP 251          HB2       ASP 251   0.992 -12.146  23.822
  963   2HB   ASP 251          HB3       ASP 251   0.765 -10.572  24.564
  964    H    GLU 252           H        GLU 252   0.225 -11.148  27.528
  965    HA   GLU 252           HA       GLU 252  -0.416  -9.962  29.252
  966   1HB   GLU 252          HB2       GLU 252  -0.111  -8.154  27.599
  967   2HB   GLU 252          HB3       GLU 252  -1.864  -8.101  27.343
  968   1HG   GLU 252          HG2       GLU 252  -2.261  -7.328  29.565
  969   2HG   GLU 252          HG3       GLU 252  -0.690  -7.887  30.140
  970    H    ASP 253           H        ASP 253  -3.259 -10.594  27.270
  971    HA   ASP 253           HA       ASP 253  -4.698 -11.898  29.405
  972   1HB   ASP 253          HB2       ASP 253  -5.172  -9.598  30.121
  973   2HB   ASP 253          HB3       ASP 253  -5.724  -9.170  28.508
  974    H    GLU 254           H        GLU 254  -5.373 -10.030  26.464
  975    HA   GLU 254           HA       GLU 254  -6.111 -12.403  24.895
  976   1HB   GLU 254          HB2       GLU 254  -8.121 -11.956  26.127
  977   2HB   GLU 254          HB3       GLU 254  -8.067 -10.248  25.742
  978   1HG   GLU 254          HG2       GLU 254  -9.861 -11.565  24.604
  979   2HG   GLU 254          HG3       GLU 254  -8.861 -10.580  23.550
  980    H    ASP 255           H        ASP 255  -4.110  -9.949  24.837
  981    HA   ASP 255           HA       ASP 255  -4.797  -8.918  22.154
  982   1HB   ASP 255          HB2       ASP 255  -3.661  -7.510  24.059
  983   2HB   ASP 255          HB3       ASP 255  -2.180  -8.258  23.444
  984    H    TYR 256           H        TYR 256  -2.629  -8.850  20.795
  985    HA   TYR 256           HA       TYR 256  -1.238 -11.251  20.217
  986   1HB   TYR 256          HB2       TYR 256  -3.237 -12.409  20.035
  987   2HB   TYR 256          HB3       TYR 256  -4.096 -11.103  19.276
  988    HD1  TYR 256           HD1      TYR 256  -4.872 -11.747  17.190
  989    HD2  TYR 256           HD2      TYR 256  -0.997 -13.133  18.490
  990    HE1  TYR 256           HE1      TYR 256  -4.687 -13.124  15.142
  991    HE2  TYR 256           HE2      TYR 256  -0.809 -14.507  16.431
  992    HH   TYR 256           HH       TYR 256  -3.513 -14.734  14.054
  993    H    ILE 257           H        ILE 257   0.222  -9.689  19.876
  994    HA   ILE 257           HA       ILE 257  -0.161  -7.410  18.116
  995    HB   ILE 257           HB       ILE 257   1.186  -7.394  20.223
  996   1HG1  ILE 257          HG12      ILE 257   3.096  -6.095  19.524
  997   2HG1  ILE 257          HG13      ILE 257   2.960  -6.655  17.864
  998   1HG2  ILE 257          HG21      ILE 257   3.444  -8.360  20.289
  999   2HG2  ILE 257          HG22      ILE 257   2.231  -9.621  20.063
 1000   3HG2  ILE 257          HG23      ILE 257   3.212  -9.077  18.685
 1001   1HD1  ILE 257          HD11      ILE 257   0.857  -5.005  19.347
 1002   2HD1  ILE 257          HD12      ILE 257   2.051  -4.367  18.195
 1003   3HD1  ILE 257          HD13      ILE 257   0.799  -5.479  17.632
 1004    H    VAL 258           H        VAL 258   1.468  -6.942  16.294
 1005    HA   VAL 258           HA       VAL 258   2.648  -9.252  15.002
 1006    HB   VAL 258           HB       VAL 258   0.737  -7.423  13.486
 1007   1HG1  VAL 258          HG11      VAL 258   2.563  -7.931  12.023
 1008   2HG1  VAL 258          HG12      VAL 258   2.531  -9.660  12.465
 1009   3HG1  VAL 258          HG13      VAL 258   1.208  -8.935  11.529
 1010   1HG2  VAL 258          HG21      VAL 258  -0.572  -9.458  12.966
 1011   2HG2  VAL 258          HG22      VAL 258   0.499 -10.420  13.999
 1012   3HG2  VAL 258          HG23      VAL 258  -0.536  -9.161  14.702
 1013    H    ASP 259           H        ASP 259   4.573  -8.662  14.234
 1014    HA   ASP 259           HA       ASP 259   5.352  -5.779  13.976
 1015   1HB   ASP 259          HB2       ASP 259   6.806  -7.082  15.439
 1016   2HB   ASP 259          HB3       ASP 259   7.001  -8.323  14.193
 1017    H    HIS 260           H        HIS 260   6.690  -5.284  12.056
 1018    HA   HIS 260           HA       HIS 260   6.174  -6.735   9.591
 1019   1HB   HIS 260          HB2       HIS 260   4.542  -5.124   8.650
 1020   2HB   HIS 260          HB3       HIS 260   3.927  -6.081   9.982
 1021    HD1  HIS 260           HD1      HIS 260   5.921  -3.146  11.207
 1022    HD2  HIS 260           HD2      HIS 260   1.970  -4.164  10.146
 1023    HE1  HIS 260           HE1      HIS 260   4.448  -1.279  12.139
 1024    H    THR 261           H        THR 261   7.210  -5.995   7.835
 1025    HA   THR 261           HA       THR 261   9.585  -4.565   8.252
 1026    HB   THR 261           HB       THR 261   9.126  -6.387   6.590
 1027    HG1  THR 261           HG1      THR 261  10.390  -3.976   5.935
 1028   1HG2  THR 261          HG21      THR 261   8.412  -5.804   4.340
 1029   2HG2  THR 261          HG22      THR 261   7.097  -5.505   5.490
 1030   3HG2  THR 261          HG23      THR 261   8.039  -4.147   4.836
 1031    H    ILE 262           H        ILE 262   6.740  -2.930   7.989
 1032    HA   ILE 262           HA       ILE 262   5.955  -1.073   6.802
 1033    HB   ILE 262           HB       ILE 262   7.944  -0.168   8.739
 1034   1HG1  ILE 262          HG12      ILE 262   5.153  -0.243   8.649
 1035   2HG1  ILE 262          HG13      ILE 262   6.268  -1.042   9.759
 1036   1HG2  ILE 262          1HG2      ILE 262   6.975   1.822   8.538
 1037   2HG2  ILE 262          2HG2      ILE 262   7.626   1.205   6.986
 1038   3HG2  ILE 262          3HG2      ILE 262   5.850   1.164   7.320
 1039   1HD1  ILE 262          HD11      ILE 262   6.018   1.993   9.517
 1040   2HD1  ILE 262          HD12      ILE 262   5.063   1.011  10.631
 1041   3HD1  ILE 262          HD13      ILE 262   6.826   1.065  10.808
 1042    H    ILE 263           H        ILE 263   6.315  -1.782   4.650
 1043    HA   ILE 263           HA       ILE 263   8.147   0.116   3.237
 1044    HB   ILE 263           HB       ILE 263   7.570  -2.774   2.486
 1045   1HG1  ILE 263          HG12      ILE 263  10.191  -1.247   2.900
 1046   2HG1  ILE 263          HG13      ILE 263   9.443  -2.286   4.104
 1047   1HG2  ILE 263          HG21      ILE 263   8.848  -0.574   0.794
 1048   2HG2  ILE 263          HG22      ILE 263   7.337  -1.445   0.439
 1049   3HG2  ILE 263          HG23      ILE 263   8.857  -2.304   0.383
 1050   1HD1  ILE 263          HD11      ILE 263  10.598  -3.188   1.450
 1051   2HD1  ILE 263          HD12      ILE 263  11.183  -3.540   3.079
 1052   3HD1  ILE 263          HD13      ILE 263   9.645  -4.231   2.534
 1053    H    MET 264           H        MET 264   7.174   1.466   1.982
 1054    HA   MET 264           HA       MET 264   4.547   0.857   0.717
 1055   1HB   MET 264          HB2       MET 264   6.102   3.463   0.667
 1056   2HB   MET 264          HB3       MET 264   4.477   3.186   0.065
 1057   1HG   MET 264          HG2       MET 264   3.642   3.052   2.369
 1058   2HG   MET 264          HG3       MET 264   5.284   3.091   3.002
 1059   1HE   MET 264          HE1       MET 264   3.938   5.646   0.002
 1060   2HE   MET 264          HE2       MET 264   2.644   4.837   0.916
 1061   3HE   MET 264          HE3       MET 264   2.946   6.575   1.144
 1062    H    TYR 265           H        TYR 265   4.946  -0.192  -1.253
 1063    HA   TYR 265           HA       TYR 265   7.431   0.478  -2.777
 1064   1HB   TYR 265          HB2       TYR 265   5.126  -1.383  -3.398
 1065   2HB   TYR 265          HB3       TYR 265   6.435  -0.998  -4.513
 1066    HD1  TYR 265           HD1      TYR 265   5.422  -3.295  -2.027
 1067    HD2  TYR 265           HD2      TYR 265   8.886  -1.333  -3.671
 1068    HE1  TYR 265           HE1      TYR 265   6.861  -5.173  -1.257
 1069    HE2  TYR 265           HE2      TYR 265  10.327  -3.204  -2.875
 1070    HH   TYR 265           HH       TYR 265   8.937  -6.119  -1.328
 1071    H    LEU 266           H        LEU 266   7.528   1.877  -4.460
 1072    HA   LEU 266           HA       LEU 266   5.059   3.355  -5.277
 1073   1HB   LEU 266          HB2       LEU 266   7.050   4.715  -4.650
 1074   2HB   LEU 266          HB3       LEU 266   8.010   3.834  -5.836
 1075    HG   LEU 266           HG       LEU 266   6.462   4.700  -7.654
 1076   1HD1  LEU 266          HD11      LEU 266   5.129   6.740  -7.122
 1077   2HD1  LEU 266          HD12      LEU 266   4.488   5.293  -6.338
 1078   3HD1  LEU 266          HD13      LEU 266   5.434   6.468  -5.393
 1079   1HD2  LEU 266          HD21      LEU 266   7.497   6.944  -7.691
 1080   2HD2  LEU 266          HD22      LEU 266   8.044   6.706  -6.013
 1081   3HD2  LEU 266          HD23      LEU 266   8.646   5.654  -7.310
 1082    H    ILE 267           H        ILE 267   4.004   2.426  -6.882
 1083    HA   ILE 267           HA       ILE 267   5.480   0.895  -9.020
 1084    HB   ILE 267           HB       ILE 267   2.766   0.582  -7.767
 1085   1HG1  ILE 267          HG12      ILE 267   3.292  -1.829  -7.992
 1086   2HG1  ILE 267          HG13      ILE 267   4.839  -1.428  -8.734
 1087   1HG2  ILE 267          HG21      ILE 267   2.064  -0.881  -9.681
 1088   2HG2  ILE 267          HG22      ILE 267   2.101   0.838 -10.063
 1089   3HG2  ILE 267          HG23      ILE 267   3.420  -0.228 -10.618
 1090   1HD1  ILE 267          HD11      ILE 267   5.624  -0.434  -6.655
 1091   2HD1  ILE 267          HD12      ILE 267   4.010  -0.581  -5.920
 1092   3HD1  ILE 267          HD13      ILE 267   4.964  -2.029  -6.306
 1093    H    GLY 268           H        GLY 268   5.297   1.467 -11.104
 1094   1HA   GLY 268          HA1       GLY 268   4.415   4.212 -11.682
 1095   2HA   GLY 268          HA2       GLY 268   5.212   3.076 -12.791
 1096    HA   PRO 269           HA       PRO 269   0.650   3.217 -14.015
 1097   1HB   PRO 269          HB2       PRO 269   0.805   4.867 -16.181
 1098   2HB   PRO 269          HB3       PRO 269   0.641   5.508 -14.522
 1099   1HG   PRO 269          HG2       PRO 269   3.216   5.162 -16.083
 1100   2HG   PRO 269          HG3       PRO 269   2.604   6.644 -15.270
 1101   1HD   PRO 269          HD2       PRO 269   4.345   4.977 -14.038
 1102   2HD   PRO 269          HD3       PRO 269   3.016   5.745 -13.123
 1103    H    ASP 270           H        ASP 270   1.835   1.109 -14.139
 1104    HA   ASP 270           HA       ASP 270   2.857   0.120 -16.731
 1105   1HB   ASP 270          HB2       ASP 270   4.539   1.718 -16.052
 1106   2HB   ASP 270          HB3       ASP 270   4.486   1.175 -14.380
 1107    H    GLY 271           H        GLY 271   3.187  -0.263 -13.180
 1108   1HA   GLY 271          HA1       GLY 271   1.940  -2.115 -12.072
 1109   2HA   GLY 271          HA2       GLY 271   2.490  -3.175 -13.388
 1110    H    GLU 272           H        GLU 272   5.290  -1.830 -13.267
 1111    HA   GLU 272           HA       GLU 272   6.222  -3.458 -10.976
 1112   1HB   GLU 272          HB2       GLU 272   6.976  -3.777 -13.415
 1113   2HB   GLU 272          HB3       GLU 272   7.999  -2.358 -13.160
 1114   1HG   GLU 272          HG2       GLU 272   9.253  -3.490 -11.439
 1115   2HG   GLU 272          HG3       GLU 272   8.035  -4.754 -11.269
 1116    H    PHE 273           H        PHE 273   8.227  -2.677  -9.830
 1117    HA   PHE 273           HA       PHE 273   7.503  -0.100  -8.670
 1118   1HB   PHE 273          HB2       PHE 273   9.178  -0.862  -6.857
 1119   2HB   PHE 273          HB3       PHE 273   7.587  -1.561  -6.989
 1120    HD1  PHE 273           HD1      PHE 273   8.010  -3.485  -5.701
 1121    HD2  PHE 273           HD2      PHE 273  10.445  -2.698  -9.179
 1122    HE1  PHE 273           HE1      PHE 273   8.960  -5.766  -5.564
 1123    HE2  PHE 273           HE2      PHE 273  11.353  -4.964  -9.060
 1124    HZ   PHE 273           HZ       PHE 273  10.641  -6.522  -7.240
 1125    H    LEU 274           H        LEU 274   8.687   1.654  -8.346
 1126    HA   LEU 274           HA       LEU 274  11.379   1.856  -9.660
 1127   1HB   LEU 274          HB2       LEU 274   8.997   3.755  -9.725
 1128   2HB   LEU 274          HB3       LEU 274  10.602   4.187 -10.311
 1129    HG   LEU 274           HG       LEU 274   8.953   1.867 -11.434
 1130   1HD1  LEU 274          HD11      LEU 274   7.830   3.953 -11.930
 1131   2HD1  LEU 274          HD12      LEU 274   9.354   4.689 -12.498
 1132   3HD1  LEU 274          HD13      LEU 274   8.613   3.341 -13.387
 1133   1HD2  LEU 274          HD21      LEU 274  10.576   1.984 -13.321
 1134   2HD2  LEU 274          HD22      LEU 274  11.370   1.543 -11.811
 1135   3HD2  LEU 274          HD23      LEU 274  11.514   3.204 -12.431
 1136    H    ASP 275           H        ASP 275   9.716   2.283  -6.745
 1137    HA   ASP 275           HA       ASP 275  12.158   3.111  -5.464
 1138   1HB   ASP 275          HB2       ASP 275  10.775   5.286  -6.119
 1139   2HB   ASP 275          HB3       ASP 275   9.769   4.832  -4.759
 1140    H    TYR 276           H        TYR 276  11.810   3.005  -3.024
 1141    HA   TYR 276           HA       TYR 276   9.398   1.695  -2.116
 1142   1HB   TYR 276          HB2       TYR 276  10.339  -0.176  -1.029
 1143   2HB   TYR 276          HB3       TYR 276  10.769  -0.263  -2.722
 1144    HD1  TYR 276           HD1      TYR 276  13.147   0.351  -3.438
 1145    HD2  TYR 276           HD2      TYR 276  12.007  -0.222   0.675
 1146    HE1  TYR 276           HE1      TYR 276  15.524  -0.042  -2.841
 1147    HE2  TYR 276           HE2      TYR 276  14.390  -0.604   1.287
 1148    HH   TYR 276           HH       TYR 276  17.003  -0.515  -1.163
 1149    H    PHE 277           H        PHE 277   8.775   2.844  -0.461
 1150    HA   PHE 277           HA       PHE 277  10.744   4.504   1.025
 1151   1HB   PHE 277          HB2       PHE 277   7.764   4.686   1.364
 1152   2HB   PHE 277          HB3       PHE 277   8.975   5.910   1.609
 1153    HD1  PHE 277           HD1      PHE 277  10.421   5.879  -1.038
 1154    HD2  PHE 277           HD2      PHE 277   6.221   5.592  -0.154
 1155    HE1  PHE 277           HE1      PHE 277   9.880   6.995  -3.198
 1156    HE2  PHE 277           HE2      PHE 277   5.705   6.637  -2.341
 1157    HZ   PHE 277           HZ       PHE 277   7.520   7.362  -3.847
 1158    H    GLY 278           H        GLY 278  11.458   3.728   2.912
 1159   1HA   GLY 278          HA1       GLY 278   9.729   2.003   4.633
 1160   2HA   GLY 278          HA2       GLY 278  11.462   2.298   4.874
 1161    H    GLN 279           H        GLN 279   9.888   2.616   7.002
 1162    HA   GLN 279           HA       GLN 279   9.135   5.335   7.600
 1163   1HB   GLN 279          HB2       GLN 279   8.332   3.403   8.841
 1164   2HB   GLN 279          HB3       GLN 279   9.971   2.983   9.352
 1165   1HG   GLN 279          HG2       GLN 279  10.103   4.887  10.814
 1166   2HG   GLN 279          HG3       GLN 279   8.691   5.642  10.103
 1167   1HE2  GLN 279          HE21      GLN 279   6.918   5.515  11.488
 1168   2HE2  GLN 279          HE22      GLN 279   6.607   4.127  12.526
 1169    H    ASN 280           H        ASN 280  10.834   6.436   6.518
 1170    HA   ASN 280           HA       ASN 280  13.104   7.212   8.140
 1171   1HB   ASN 280          HB2       ASN 280  13.817   4.939   7.217
 1172   2HB   ASN 280          HB3       ASN 280  13.726   5.637   5.599
 1173   1HD2  ASN 280          HD21      ASN 280  15.216   6.021   8.823
 1174   2HD2  ASN 280          HD22      ASN 280  16.678   6.814   8.222
 1175    H    LYS 281           H        LYS 281  11.736   7.185   4.785
 1176    HA   LYS 281           HA       LYS 281  12.949   9.764   4.069
 1177   1HB   LYS 281          HB2       LYS 281  10.690   8.113   2.864
 1178   2HB   LYS 281          HB3       LYS 281  11.082   9.746   2.317
 1179   1HG   LYS 281          HG2       LYS 281  13.399   9.035   1.779
 1180   2HG   LYS 281          HG3       LYS 281  12.972   7.366   2.209
 1181   1HD   LYS 281          HD2       LYS 281  11.247   7.336   0.453
 1182   2HD   LYS 281          HD3       LYS 281  11.574   9.033   0.058
 1183   1HE   LYS 281          HE2       LYS 281  13.896   8.439  -0.588
 1184   2HE   LYS 281          HE3       LYS 281  13.559   6.729  -0.272
 1185   1HZ   LYS 281          HZ1       LYS 281  13.333   7.462  -2.674
 1186   2HZ   LYS 281          HZ2       LYS 281  12.078   6.656  -2.124
 1187   3HZ   LYS 281          HZ3       LYS 281  11.999   8.302  -2.262
 1188    H    ARG 282           H        ARG 282  12.373  11.669   4.842
 1189    HA   ARG 282           HA       ARG 282  10.055  12.084   6.587
 1190   1HB   ARG 282          HB2       ARG 282  11.935  14.092   5.277
 1191   2HB   ARG 282          HB3       ARG 282  10.702  14.485   6.447
 1192   1HG   ARG 282          HG2       ARG 282  12.933  14.478   7.429
 1193   2HG   ARG 282          HG3       ARG 282  11.851  13.339   8.227
 1194   1HD   ARG 282          HD2       ARG 282  12.964  11.462   7.347
 1195   2HD   ARG 282          HD3       ARG 282  13.784  12.382   6.095
 1196    HE   ARG 282           HE       ARG 282  14.546  12.109   8.906
 1197   1HH1  ARG 282          HH22      ARG 282  15.232  13.747   5.800
 1198   2HH1  ARG 282          HH21      ARG 282  16.853  14.119   6.265
 1199   1HH2  ARG 282          HH12      ARG 282  16.669  12.670   9.431
 1200   2HH2  ARG 282          HH11      ARG 282  17.646  13.541   8.281
 1201    H    LYS 283           H        LYS 283   8.146  13.260   6.003
 1202    HA   LYS 283           HA       LYS 283   6.788  12.394   3.904
 1203   1HB   LYS 283          HB2       LYS 283   5.962  13.695   5.839
 1204   2HB   LYS 283          HB3       LYS 283   6.450  15.195   5.067
 1205   1HG   LYS 283          HG2       LYS 283   4.497  13.239   3.775
 1206   2HG   LYS 283          HG3       LYS 283   3.995  14.448   4.957
 1207   1HD   LYS 283          HD2       LYS 283   4.961  16.240   3.479
 1208   2HD   LYS 283          HD3       LYS 283   5.184  15.008   2.197
 1209   1HE   LYS 283          HE2       LYS 283   2.744  14.476   2.539
 1210   2HE   LYS 283          HE3       LYS 283   2.665  15.916   3.582
 1211   1HZ   LYS 283          HZ1       LYS 283   3.468  15.882   0.723
 1212   2HZ   LYS 283          HZ2       LYS 283   2.002  16.350   1.235
 1213   3HZ   LYS 283          HZ3       LYS 283   3.389  17.222   1.564
 1214    H    GLY 284           H        GLY 284   8.343  15.657   3.508
 1215   1HA   GLY 284          HA1       GLY 284   7.525  15.924   0.778
 1216   2HA   GLY 284          HA2       GLY 284   8.813  16.854   1.570
 1217    H    GLU 285           H        GLU 285  10.386  14.287   2.126
 1218    HA   GLU 285           HA       GLU 285  11.958  14.206  -0.289
 1219   1HB   GLU 285          HB2       GLU 285  11.858  12.267   2.034
 1220   2HB   GLU 285          HB3       GLU 285  13.148  12.367   0.846
 1221   1HG   GLU 285          HG2       GLU 285  13.937  14.463   1.667
 1222   2HG   GLU 285          HG3       GLU 285  12.475  14.750   2.617
 1223    H    ILE 286           H        ILE 286   9.173  12.406   0.847
 1224    HA   ILE 286           HA       ILE 286   9.455  10.073  -0.876
 1225    HB   ILE 286           HB       ILE 286   6.964  11.265   0.431
 1226   1HG1  ILE 286          HG12      ILE 286   8.815   9.056   1.445
 1227   2HG1  ILE 286          HG13      ILE 286   8.745  10.693   2.101
 1228   1HG2  ILE 286          HG21      ILE 286   5.977   9.037   0.119
 1229   2HG2  ILE 286          HG22      ILE 286   6.480   9.684  -1.437
 1230   3HG2  ILE 286          HG23      ILE 286   7.500   8.488  -0.613
 1231   1HD1  ILE 286          HD11      ILE 286   7.508   9.305   3.573
 1232   2HD1  ILE 286          HD12      ILE 286   6.341  10.318   2.696
 1233   3HD1  ILE 286          HD13      ILE 286   6.555   8.603   2.261
 1234    H    ALA 287           H        ALA 287   7.369  12.995  -1.099
 1235    HA   ALA 287           HA       ALA 287   6.528  12.584  -3.796
 1236   1HB   ALA 287          HB1       ALA 287   5.924  14.994  -3.643
 1237   2HB   ALA 287          HB2       ALA 287   5.387  14.076  -2.231
 1238   3HB   ALA 287          HB3       ALA 287   6.819  15.120  -2.117
 1239    H    ALA 288           H        ALA 288   9.436  14.241  -2.481
 1240    HA   ALA 288           HA       ALA 288  10.414  15.259  -4.944
 1241   1HB   ALA 288          HB1       ALA 288  12.002  14.268  -2.536
 1242   2HB   ALA 288          HB2       ALA 288  12.559  15.403  -3.777
 1243   3HB   ALA 288          HB3       ALA 288  11.251  15.879  -2.676
 1244    H    SER 289           H        SER 289  10.889  11.946  -3.528
 1245    HA   SER 289           HA       SER 289  12.335  10.995  -5.862
 1246   1HB   SER 289          HB2       SER 289  11.088   8.766  -5.201
 1247   2HB   SER 289          HB3       SER 289  12.565   9.337  -4.465
 1248    HG   SER 289           HG       SER 289  10.073  10.018  -3.285
 1249    H    ILE 290           H        ILE 290   8.762  11.147  -5.294
 1250    HA   ILE 290           HA       ILE 290   8.203   9.774  -7.779
 1251    HB   ILE 290           HB       ILE 290   6.352  11.707  -6.269
 1252   1HG1  ILE 290          HG12      ILE 290   6.667   8.676  -5.976
 1253   2HG1  ILE 290          HG13      ILE 290   7.251   9.849  -4.812
 1254   1HG2  ILE 290          HG21      ILE 290   4.524  10.471  -7.358
 1255   2HG2  ILE 290          HG22      ILE 290   5.589  11.142  -8.577
 1256   3HG2  ILE 290          HG23      ILE 290   5.695   9.416  -8.184
 1257   1HD1  ILE 290          HD11      ILE 290   4.880  10.641  -4.484
 1258   2HD1  ILE 290          HD12      ILE 290   4.372   9.230  -5.453
 1259   3HD1  ILE 290          HD13      ILE 290   5.242   8.994  -3.932
 1260    H    ALA 291           H        ALA 291   8.494  13.253  -7.086
 1261    HA   ALA 291           HA       ALA 291   7.918  14.161  -9.744
 1262   1HB   ALA 291          HB1       ALA 291   7.851  15.575  -7.719
 1263   2HB   ALA 291          HB2       ALA 291   9.606  15.386  -7.514
 1264   3HB   ALA 291          HB3       ALA 291   8.960  16.250  -8.930
 1265    H    THR 292           H        THR 292  10.709  12.488  -8.552
 1266    HA   THR 292           HA       THR 292  12.503  13.440 -10.717
 1267    HB   THR 292           HB       THR 292  12.945  11.390  -8.509
 1268    HG1  THR 292           HG1      THR 292  12.858  13.382  -7.623
 1269   1HG2  THR 292          HG21      THR 292  14.861  12.661 -10.516
 1270   2HG2  THR 292          HG22      THR 292  15.342  11.704  -9.097
 1271   3HG2  THR 292          HG23      THR 292  14.434  10.935 -10.406
 1272    H    HIS 293           H        HIS 293  10.999  10.379  -9.637
 1273    HA   HIS 293           HA       HIS 293  11.604   8.882 -12.020
 1274   1HB   HIS 293          HB2       HIS 293   9.363   8.487  -9.984
 1275   2HB   HIS 293          HB3       HIS 293  10.061   7.265 -11.058
 1276    HD2  HIS 293           HD2      HIS 293  10.035   7.558  -7.653
 1277    HE1  HIS 293           HE1      HIS 293  14.169   6.919  -8.284
 1278    HE2  HIS 293           HE2      HIS 293  12.309   6.821  -6.563
 1279    H    MET 294           H        MET 294   9.003  11.140 -11.337
 1280    HA   MET 294           HA       MET 294   7.346  10.649 -13.590
 1281   1HB   MET 294          HB2       MET 294   6.773  12.159 -11.802
 1282   2HB   MET 294          HB3       MET 294   8.130  13.221 -12.165
 1283   1HG   MET 294          HG2       MET 294   5.977  12.619 -14.207
 1284   2HG   MET 294          HG3       MET 294   5.719  13.817 -12.961
 1285   1HE   MET 294          HE1       MET 294   7.400  15.606 -12.366
 1286   2HE   MET 294          HE2       MET 294   8.998  15.325 -13.086
 1287   3HE   MET 294          HE3       MET 294   8.011  16.701 -13.625
 1288    H    ARG 295           H        ARG 295  10.652  12.043 -13.560
 1289    HA   ARG 295           HA       ARG 295  10.488  13.432 -16.007
 1290   1HB   ARG 295          HB2       ARG 295  12.877  12.028 -14.765
 1291   2HB   ARG 295          HB3       ARG 295  12.960  13.084 -16.177
 1292   1HG   ARG 295          HG2       ARG 295  12.094  14.979 -14.873
 1293   2HG   ARG 295          HG3       ARG 295  11.905  13.948 -13.445
 1294   1HD   ARG 295          HD2       ARG 295  14.371  13.458 -13.535
 1295   2HD   ARG 295          HD3       ARG 295  14.510  14.634 -14.858
 1296    HE   ARG 295           HE       ARG 295  13.292  15.465 -12.280
 1297   1HH1  ARG 295          HH22      ARG 295  16.083  15.822 -14.432
 1298   2HH1  ARG 295          HH21      ARG 295  16.790  17.075 -13.452
 1299   1HH2  ARG 295          HH12      ARG 295  14.259  17.022 -11.060
 1300   2HH2  ARG 295          HH11      ARG 295  15.751  17.762 -11.555
 1301    HA   PRO 296           HA       PRO 296  11.159   9.475 -18.561
 1302   1HB   PRO 296          HB2       PRO 296  11.074   6.986 -17.386
 1303   2HB   PRO 296          HB3       PRO 296  12.579   7.937 -17.592
 1304   1HG   PRO 296          HG2       PRO 296  10.872   7.696 -15.132
 1305   2HG   PRO 296          HG3       PRO 296  12.649   7.567 -15.272
 1306   1HD   PRO 296          HD2       PRO 296  11.513   9.906 -14.509
 1307   2HD   PRO 296          HD3       PRO 296  12.919   9.875 -15.593
 1308    H    TYR 297           H        TYR 297   9.103   8.594 -15.688
 1309    HA   TYR 297           HA       TYR 297   6.937   7.730 -17.522
 1310   1HB   TYR 297          HB2       TYR 297   7.712   7.147 -14.680
 1311   2HB   TYR 297          HB3       TYR 297   6.048   6.907 -15.207
 1312    HD1  TYR 297           HD1      TYR 297   6.451   4.576 -14.432
 1313    HD2  TYR 297           HD2      TYR 297   8.547   6.211 -17.834
 1314    HE1  TYR 297           HE1      TYR 297   6.849   2.281 -15.305
 1315    HE2  TYR 297           HE2      TYR 297   8.943   3.922 -18.680
 1316    HH   TYR 297           HH       TYR 297   7.496   1.038 -17.169
 1317    H    ARG 298           H        ARG 298   6.584   9.804 -18.185
 1318    HA   ARG 298           HA       ARG 298   6.079  11.852 -16.288
 1319   1HB   ARG 298          HB2       ARG 298   6.332  13.359 -18.198
 1320   2HB   ARG 298          HB3       ARG 298   7.615  12.176 -18.035
 1321   1HG   ARG 298          HG2       ARG 298   6.619  10.822 -19.874
 1322   2HG   ARG 298          HG3       ARG 298   5.362  12.065 -20.085
 1323   1HD   ARG 298          HD3       ARG 298   7.076  13.760 -20.547
 1324   2HD   ARG 298          HD2       ARG 298   8.357  12.592 -20.207
 1325    HE   ARG 298           HE       ARG 298   8.044  11.563 -22.246
 1326   1HH1  ARG 298          HH22      ARG 298   5.305  13.838 -21.841
 1327   2HH1  ARG 298          HH21      ARG 298   5.137  14.070 -23.522
 1328   1HH2  ARG 298          HH12      ARG 298   7.623  11.789 -24.458
 1329   2HH2  ARG 298          HH11      ARG 298   6.312  12.801 -24.990
 1330    H    LYS 299           H        LYS 299   4.467  12.559 -15.462
 1331    HA   LYS 299           HA       LYS 299   3.015  14.222 -15.338
 1332   1HB   LYS 299          HB3       LYS 299   5.068  14.535 -16.812
 1333   2HB   LYS 299          HB2       LYS 299   3.971  14.515 -18.194
 1334   1HG   LYS 299          HG2       LYS 299   2.941  16.547 -17.380
 1335   2HG   LYS 299          HG3       LYS 299   3.796  16.428 -15.838
 1336   1HD   LYS 299          HD3       LYS 299   4.848  18.140 -17.285
 1337   2HD   LYS 299          HD2       LYS 299   5.925  16.818 -16.867
 1338   1HE   LYS 299          HE2       LYS 299   6.460  17.029 -19.082
 1339   2HE   LYS 299          HE3       LYS 299   5.218  15.789 -19.187
 1340   1HZ   LYS 299          HZ1       LYS 299   4.741  17.321 -20.831
 1341   2HZ   LYS 299          HZ2       LYS 299   4.923  18.658 -19.875
 1342   3HZ   LYS 299          HZ3       LYS 299   3.626  17.642 -19.725
 1343    H    LYS 300           H        LYS 300   1.867  15.329 -17.892
 1344    HA   LYS 300           HA       LYS 300  -0.535  13.739 -18.504
 1345   1HB   LYS 300          HB2       LYS 300  -0.535  16.409 -17.015
 1346   2HB   LYS 300          HB3       LYS 300  -1.891  15.944 -18.039
 1347   1HG   LYS 300          HG2       LYS 300  -2.379  13.993 -16.725
 1348   2HG   LYS 300          HG3       LYS 300  -0.958  14.259 -15.701
 1349   1HD   LYS 300          HD2       LYS 300  -1.831  16.194 -14.718
 1350   2HD   LYS 300          HD3       LYS 300  -3.117  16.374 -15.914
 1351   1HE   LYS 300          HE2       LYS 300  -4.531  14.951 -14.853
 1352   2HE   LYS 300          HE3       LYS 300  -3.259  13.778 -14.523
 1353   1HZ   LYS 300          HZ1       LYS 300  -3.549  16.241 -12.897
 1354   2HZ   LYS 300          HZ2       LYS 300  -2.586  14.961 -12.639
 1355   3HZ   LYS 300          HZ3       LYS 300  -4.182  14.747 -12.481
 1356    H    SER 301           H        SER 301   1.814  14.305 -19.936
 1357    HA   SER 301           HA       SER 301   1.613  15.282 -22.414
 1358   1HB   SER 301          HB2       SER 301   2.383  17.706 -22.262
 1359   2HB   SER 301          HB3       SER 301   0.683  17.396 -21.939
 1360    HG   SER 301           HG       SER 301   0.910  17.852 -19.932