*HEADER    GENE REGULATION                         27-JUL-18   6E86              
*TITLE     SOLUTION STRUCTURE OF ZZZ3 ZZ DOMAIN IN COMPLEX WITH HISTONE H3K4AC   
*TITLE    2 PEPTIDE                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZZ-TYPE ZINC FINGER-CONTAINING PROTEIN 3;                  
*COMPND   3 CHAIN: B;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: H3K4AC;                                                    
*COMPND   7 CHAIN: A;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: ZZZ3;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 MOL_ID: 2;                                                           
*SOURCE   9 SYNTHETIC: YES;                                                      
*SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  11 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ZZZ3, ZZ DOMAIN, HISTONE, CHROMATIN, GENE REGULATION                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.ZHANG,T.G.KUTATELADZE                                               
*REVDAT   2   15-NOV-23 6E86    1                                                
*REVDAT   1   19-SEP-18 6E86    0                                                
# Restraints file 1: all.rst
#
#  10 GLY  HA3    67 THR  HB      6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 999, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 /
#
#  10 GLY  HA3    68 ALY  HA      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 131,1031, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  11 PHE  HA     67 THR  QG2     5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1001,1002,1003,
 /
#
#  11 PHE  HN     67 THR  QG2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1001,1002,1003,
 /
#
#  11 PHE  HB2    68 ALY  HB2     6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 139,1030, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  11 PHE  HB3    68 ALY  HB2     6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 140,1030, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  11 PHE  HZ     68 ALY  QD      5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1026,1025,
 /
#
#  11 PHE  HZ     68 ALY  QE      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1024,1023,
 /
#
#  11 PHE  HZ     68 ALY  QG      6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1028,1027,
 /
#
#  11 PHE  QE     68 ALY  HB2     5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 145, 149,
 /
#
#  11 PHE  QE     68 ALY  QD      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 145, 149,
 igr2=1026,1025,
 /
#
#  11 PHE  QE     68 ALY  QE      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 145, 149,
 igr2=1024,1023,
 /
#
#  11 PHE  QE     68 ALY  QG      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 145, 149,
 igr2=1028,1027,
 /
#
#  12 LYS  HA     65 ALA  QB      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 965, 966, 967,
 /
#
#  12 LYS  HB2    65 ALA  QB      5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 965, 966, 967,
 /
#
#  12 LYS  HB3    65 ALA  QB      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 965, 966, 967,
 /
#
#  12 LYS  HG2    65 ALA  QB      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 965, 966, 967,
 /
#
#  12 LYS  HG3    65 ALA  QB      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 965, 966, 967,
 /
#
#  12 LYS  HN     65 ALA  QB      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 965, 966, 967,
 /
#
#  12 LYS  QD     65 ALA  QB      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 165, 166,
 igr2= 965, 966, 967,
 /
#
#  12 LYS  QE     65 ALA  QB      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 168, 169,
 igr2= 965, 966, 967,
 /
#
#  12 LYS  QE     66 ARG  QD      7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 168, 169,
 igr2= 981, 982,
 /
#
#  12 LYS  HB2    67 THR  QG2     5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1001,1002,1003,
 /
#
#  12 LYS  HB3    67 THR  QG2     5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1001,1002,1003,
 /
#
#  12 LYS  HN     67 THR  QG2     4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1001,1002,1003,
 /
#
#  12 LYS  QD     67 THR  HB      6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 165, 166,
 /
#
#  12 LYS  QD     67 THR  QG2     4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 165, 166,
 igr2=1001,1002,1003,
 /
#
#  12 LYS  QE     67 THR  QG2     4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 168, 169,
 igr2=1001,1002,1003,
 /
#
#  14 ASP  HA     65 ALA  QB      5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 965, 966, 967,
 /
#
#  14 ASP  HN     65 ALA  QB      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 965, 966, 967,
 /
#
#  36 SER  HN     65 ALA  QB      6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 965, 966, 967,
 /
#
#  36 SER  HB2    66 ARG  HB2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  36 SER  HB2    66 ARG  HB3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  36 SER  HB2    66 ARG  QD      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 981, 982,
 /
#
#  36 SER  HB2    66 ARG  QG      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 978, 979,
 /
#
#  36 SER  HB3    66 ARG  HB3     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  36 SER  HB3    66 ARG  QD      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 981, 982,
 /
#
#  36 SER  HB3    66 ARG  QG      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 978, 979,
 /
#
#  37 LEU  QD1    65 ALA  QB      6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
 igr1= 531, 532, 533,
 igr2= 965, 966, 967,
 /
#
#  37 LEU  QD2    65 ALA  QB      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 535, 536, 537,
 igr2= 965, 966, 967,
 /
#
#  37 LEU  QD1    66 ARG  HE      6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 531, 532, 533,
 /
#
#  38 ASP  HN     65 ALA  QB      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 965, 966, 967,
 /
#
#  68 ALY  QE      9 VAL  QG1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1024,1023,
 igr2= 118, 119, 120,
 /
#
#  68 ALY  HB3    10 GLY  HA3     6.50
 &rst
  ixpk= 0, nxpk= 0, iat=1029, 131, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  68 ALY  HB3    10 GLY  HA2     6.50
 &rst
  ixpk= 0, nxpk= 0, iat=1029, 130, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  68 ALY  QD     10 GLY  HA2     6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1026,1025,
 /
#
#  68 ALY  QG     10 GLY  HA3     6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1028,1027,
 /
#
#  68 ALY  QG     10 GLY  HA2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1028,1027,
 /
#
#   2 PRO  QG         2 PRO  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=  15,  16,
 /
#
#   2 PRO  HB3        2 PRO  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   2 PRO  QG         2 PRO  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  18, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  15,  16,
 /
#
#   2 PRO  HB2        2 PRO  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  21, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   2 PRO  HB3        2 PRO  QD         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  12,  13,
 /
#
#   2 PRO  HB2        2 PRO  QD         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  12,  13,
 /
#
#   2 PRO  HB2        3 LEU  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  27, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   2 PRO  HB3        4 GLY  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  44, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   3 LEU  HN         2 PRO  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  19, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   3 LEU  HN         2 PRO  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  18, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   3 LEU  HN         2 PRO  HA         3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  21, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  /
#
#   3 LEU  QD1        3 LEU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  25, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  34,  35,  36,
 /
#
#   3 LEU  HN         3 LEU  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  27, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   3 LEU  QD2        3 LEU  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  25, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  38,  39,  40,
 /
#
#   3 LEU  HN         3 LEU  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  30, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   3 LEU  QD1        3 LEU  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  34,  35,  36,
 /
#
#   3 LEU  HN         3 LEU  HG         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  32, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   3 LEU  QD1        3 LEU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  34,  35,  36,
 /
#
#   3 LEU  QD2        3 LEU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  27, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  38,  39,  40,
 /
#
#   3 LEU  QD2        3 LEU  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  38,  39,  40,
 /
#
#   3 LEU  HA         3 LEU  HG         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  32, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   3 LEU  HN         3 LEU  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  29, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   3 LEU  HA         3 LEU  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  29, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   3 LEU  HA         3 LEU  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  30, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   3 LEU  QD1        3 LEU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  27, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  34,  35,  36,
 /
#
#   3 LEU  QD2        3 LEU  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  38,  39,  40,
 /
#
#   3 LEU  QD1        4 GLY  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  34,  35,  36,
 /
#
#   3 LEU  HN         4 GLY  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  44, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   3 LEU  QD2        4 GLY  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  38,  39,  40,
 /
#
#   3 LEU  QD2        4 GLY  QA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1=  38,  39,  40,
 igr2=  46,  47,
 /
#
#   3 LEU  QD1        5 SER  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=  34,  35,  36,
 /
#
#   4 GLY  HN         3 LEU  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  27, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   4 GLY  HN         3 LEU  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  30, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   4 GLY  HN         3 LEU  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  29, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   4 GLY  QA         4 GLY  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  46,  47,
 /
#
#   4 GLY  HN         5 SER  QB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  55,  56,
 /
#
#   4 GLY  QA         6 VAL  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=  46,  47,
 /
#
#   5 SER  HN         2 PRO  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  19, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   5 SER  HN         3 LEU  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   5 SER  HN         3 LEU  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  30, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   5 SER  HN         3 LEU  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  29, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   5 SER  HN         4 GLY  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  44, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   5 SER  HN         4 GLY  QA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  46,  47,
 /
#
#   5 SER  HN         5 SER  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  53, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#   5 SER  QB         5 SER  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  55,  56,
 /
#
#   5 SER  HN         5 SER  QB         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  55,  56,
 /
#
#   5 SER  HN         6 VAL  HB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  66, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   5 SER  HN         6 VAL  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  62, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#   5 SER  HN        23 GLY  HA3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   6 VAL  QG1        3 LEU  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  25, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG1        3 LEU  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  27, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  HB         3 LEU  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   6 VAL  QG2        5 SER  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  QG1        5 SER  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  HN         5 SER  HA         3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  53, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  /
#
#   6 VAL  QG1        5 SER  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  68,  69,  70,
 igr2=  55,  56,
 /
#
#   6 VAL  QG2        5 SER  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  HA         5 SER  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  53, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   6 VAL  QG1        6 VAL  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG2        6 VAL  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  HN         6 VAL  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  64, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#   6 VAL  QG1        6 VAL  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG1        6 VAL  HB         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG2        6 VAL  HB         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  QG2        6 VAL  QG1        2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  72,  73,  74,
 igr2=  68,  69,  70,
 /
#
#   6 VAL  QG2        6 VAL  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  HB         6 VAL  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  62, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#   6 VAL  HB         6 VAL  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  64, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   6 VAL  QG2        7 GLN  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  HB         7 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   6 VAL  HN         7 GLN  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  86, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   6 VAL  QG1        7 GLN  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG2        7 GLN  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  QG1        7 GLN  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG1        7 GLN  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG2        7 GLN  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  QG1        8 HIE  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG2        8 HIE  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  QG1       11 PHE  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1=  68,  69,  70,
 igr2= 145, 149,
 /
#
#   6 VAL  QG2       23 GLY  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  QG1       23 GLY  HA3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG1       23 GLY  HA2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG2       23 GLY  HA3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  QG1       23 GLY  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG1       24 VAL  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG1       25 ARG  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG1       25 ARG  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG1       25 ARG  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG2       63 TYR  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  QG1       64 ARG  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG2       64 ARG  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  QG1       64 ARG  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG2       64 ARG  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  QG1       64 ARG  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG1       64 ARG  QD         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  68,  69,  70,
 igr2= 944, 945,
 /
#
#   6 VAL  QG1       64 ARG  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  68,  69,  70,
 /
#
#   6 VAL  QG2       64 ARG  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  QG2       64 ARG  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  QG2       64 ARG  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  72,  73,  74,
 /
#
#   6 VAL  HB        64 ARG  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  66, 936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   6 VAL  QG1       64 ARG  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  68,  69,  70,
 /
#
#   7 GLN  HN         6 VAL  HA         2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  64, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#   7 GLN  HA         6 VAL  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   7 GLN  HB2        6 VAL  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   7 GLN  HG2        6 VAL  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   7 GLN  HG3        6 VAL  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   7 GLN  HB3        6 VAL  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   7 GLN  HA         7 GLN  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  78, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   7 GLN  HB2        7 GLN  HE21       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   7 GLN  HB3        7 GLN  HE21       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   7 GLN  HN         7 GLN  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   7 GLN  HE21       7 GLN  HG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  85, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   7 GLN  HB2        7 GLN  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   7 GLN  HN         7 GLN  HG3        2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  86, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#   7 GLN  HB2        7 GLN  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  85, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   7 GLN  HB3        7 GLN  HG3        2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  86, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#   7 GLN  HA         7 GLN  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  86, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   7 GLN  HA         7 GLN  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  85, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   7 GLN  HN         7 GLN  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  82, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   7 GLN  HB3        7 GLN  HG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  85, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   7 GLN  HB2        7 GLN  HG3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  86, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   7 GLN  HE21       7 GLN  HG3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   7 GLN  HN         7 GLN  HG2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  85, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#   7 GLN  HA         8 HIE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  95, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   7 GLN  HB2       22 GLN  HE22       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  82, 310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   7 GLN  HB3       22 GLN  HE22       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   8 HIE  HD2        6 VAL  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  72,  73,  74,
 /
#
#   8 HIE  HN         7 GLN  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  85, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   8 HIE  HN         7 GLN  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  86, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   8 HIE  HN         7 GLN  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  82, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   8 HIE  HN         7 GLN  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  83, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   8 HIE  HN         7 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   8 HIE  HD2        7 GLN  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  80, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   8 HIE  HB2        7 GLN  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  82, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   8 HIE  HB3        7 GLN  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  82, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   8 HIE  HD2        8 HIE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  95, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   8 HIE  HN         8 HIE  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   8 HIE  HN         8 HIE  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   8 HIE  HN         8 HIE  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  99, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   8 HIE  HB3        8 HIE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   8 HIE  HB2        8 HIE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   8 HIE  HN         9 VAL  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 112, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   8 HIE  HB3        9 VAL  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 112, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   8 HIE  HB2        9 VAL  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 112, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   8 HIE  HA         9 VAL  HN         2.80 --> 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   8 HIE  HN         9 VAL  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 122, 123, 124,
 /
#
#   8 HIE  HA         9 VAL  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 122, 123, 124,
 /
#
#   8 HIE  HA         9 VAL  HB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   8 HIE  HB3       11 PHE  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   8 HIE  HB2       11 PHE  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   8 HIE  HN        11 PHE  QD         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 143, 151,
 /
#
#   8 HIE  HD2       11 PHE  HZ         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 147, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#   8 HIE  HB2       11 PHE  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   8 HIE  HB2       11 PHE  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   8 HIE  HN        20 PRO  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 268, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   8 HIE  HB2       20 PRO  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 272, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   8 HIE  HB2       20 PRO  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 271, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   8 HIE  HN        20 PRO  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 269, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   8 HIE  HD2       21 ILE  HB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   8 HIE  HB3       21 ILE  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 284, 285, 286,
 /
#
#   8 HIE  HB2       21 ILE  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 284, 285, 286,
 /
#
#   8 HIE  HB3       21 ILE  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 291, 292, 293,
 /
#
#   8 HIE  HB2       21 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 291, 292, 293,
 /
#
#   8 HIE  HN        22 GLN  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   8 HIE  HD2       22 GLN  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   8 HIE  HD2       23 GLY  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   8 HIE  HD2       62 ILE  HG13       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   9 VAL  QG1        7 GLN  HE21       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 118, 119, 120,
 /
#
#   9 VAL  QG2        7 GLN  HE21       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 122, 123, 124,
 /
#
#   9 VAL  HN         7 GLN  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  82, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   9 VAL  QG2        7 GLN  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 122, 123, 124,
 /
#
#   9 VAL  QG2        7 GLN  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 122, 123, 124,
 /
#
#   9 VAL  QG1        7 GLN  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  82, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 118, 119, 120,
 /
#
#   9 VAL  QG2        7 GLN  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 122, 123, 124,
 /
#
#   9 VAL  HN         9 VAL  HB         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 116, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#   9 VAL  HN         9 VAL  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#   9 VAL  QG2        9 VAL  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 122, 123, 124,
 /
#
#   9 VAL  HA         9 VAL  HB         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   9 VAL  HN         9 VAL  QG2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 122, 123, 124,
 /
#
#   9 VAL  HN         9 VAL  QG1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 118, 119, 120,
 /
#
#   9 VAL  QG1        9 VAL  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 118, 119, 120,
 /
#
#   9 VAL  QG1        9 VAL  HB         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 118, 119, 120,
 /
#
#   9 VAL  QG2        9 VAL  HB         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 122, 123, 124,
 /
#
#   9 VAL  HN        10 GLY  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 128, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   9 VAL  QG1       10 GLY  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 118, 119, 120,
 /
#
#   9 VAL  QG1       10 GLY  HA3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 118, 119, 120,
 /
#
#   9 VAL  QG1       10 GLY  HA2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 118, 119, 120,
 /
#
#   9 VAL  HN        20 PRO  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   9 VAL  QG1       20 PRO  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 118, 119, 120,
 /
#
#   9 VAL  QG2       20 PRO  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 122, 123, 124,
 /
#
#   9 VAL  QG1       20 PRO  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 118, 119, 120,
 /
#
#   9 VAL  QG2       20 PRO  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 122, 123, 124,
 /
#
#   9 VAL  QG2       20 PRO  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 122, 123, 124,
 /
#
#   9 VAL  QG1       22 GLN  HE22       6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 118, 119, 120,
 /
#
#   9 VAL  QG2       22 GLN  HE22       6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 122, 123, 124,
 /
#
#  10 GLY  HN         9 VAL  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  10 GLY  HA3        9 VAL  HB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  10 GLY  HA2        9 VAL  HB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 116, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  10 GLY  HA2       10 GLY  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  10 GLY  HA3       10 GLY  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  10 GLY  HA2       20 PRO  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 268, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  11 PHE  QE         8 HIE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 145, 149,
 /
#
#  11 PHE  QD         8 HIE  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 143, 151,
 /
#
#  11 PHE  QD         8 HIE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 143, 151,
 /
#
#  11 PHE  QD         8 HIE  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 143, 151,
 /
#
#  11 PHE  HZ         8 HIE  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  99, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  11 PHE  HN         9 VAL  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 114, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  11 PHE  QE         9 VAL  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 145, 149,
 /
#
#  11 PHE  HN         9 VAL  QG1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 118, 119, 120,
 /
#
#  11 PHE  HN         9 VAL  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 122, 123, 124,
 /
#
#  11 PHE  HN        10 GLY  HA2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 130, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  11 PHE  HN        10 GLY  HA3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  11 PHE  HN        10 GLY  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  11 PHE  QD        11 PHE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 143, 151,
 /
#
#  11 PHE  HB3       11 PHE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  11 PHE  HB2       11 PHE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  11 PHE  QE        11 PHE  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 145, 149,
 /
#
#  11 PHE  QD        11 PHE  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 143, 151,
 /
#
#  11 PHE  QE        11 PHE  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 145, 149,
 /
#
#  11 PHE  QE        11 PHE  QD         2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 145, 149,
 igr2= 143, 151,
 /
#
#  11 PHE  HZ        11 PHE  QD         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 143, 151,
 /
#
#  11 PHE  HZ        11 PHE  QE         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 145, 149,
 /
#
#  11 PHE  QE        11 PHE  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 145, 149,
 /
#
#  11 PHE  HA        11 PHE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  11 PHE  QD        11 PHE  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 143, 151,
 /
#
#  11 PHE  HB3       11 PHE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  11 PHE  HB2       11 PHE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  11 PHE  HZ        11 PHE  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 140, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  11 PHE  QD        12 LYS  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 143, 151,
 /
#
#  11 PHE  HB3       12 LYS  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  11 PHE  HB2       12 LYS  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  11 PHE  HN        20 PRO  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  11 PHE  HN        20 PRO  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 272, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  11 PHE  HN        20 PRO  HD3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  11 PHE  HN        20 PRO  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  11 PHE  HN        20 PRO  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  11 PHE  HN        20 PRO  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  11 PHE  QD        21 ILE  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 143, 151,
 igr2= 284, 285, 286,
 /
#
#  11 PHE  HB2       21 ILE  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 291, 292, 293,
 /
#
#  11 PHE  HB3       21 ILE  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 291, 292, 293,
 /
#
#  11 PHE  HB3       21 ILE  HG12       6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 288, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  11 PHE  QD        26 TRP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 143, 151,
 /
#
#  11 PHE  QD        27 HIE  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 143, 151,
 /
#
#  11 PHE  QE        27 HIE  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 145, 149,
 /
#
#  11 PHE  HB3       38 ASP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  11 PHE  HB3       38 ASP  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  12 LYS  HN        11 PHE  HA         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 137, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  12 LYS  HN        11 PHE  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  12 LYS  HB2       11 PHE  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 137, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  12 LYS  HA        11 PHE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  12 LYS  HN        12 LYS  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  12 LYS  HN        12 LYS  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  12 LYS  HN        12 LYS  QD         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 165, 166,
 /
#
#  12 LYS  HN        12 LYS  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  12 LYS  HG2       12 LYS  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  12 LYS  HG3       12 LYS  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  12 LYS  HG3       12 LYS  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  12 LYS  HG3       12 LYS  QE         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 168, 169,
 /
#
#  12 LYS  HG3       12 LYS  QD         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 165, 166,
 /
#
#  12 LYS  HG2       12 LYS  QE         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 168, 169,
 /
#
#  12 LYS  HG2       12 LYS  QD         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 165, 166,
 /
#
#  12 LYS  HG2       12 LYS  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  12 LYS  HB2       12 LYS  QE         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 168, 169,
 /
#
#  12 LYS  HG3       12 LYS  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  12 LYS  HN        12 LYS  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  12 LYS  HB3       12 LYS  QE         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 168, 169,
 /
#
#  12 LYS  HN        12 LYS  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  12 LYS  HB2       12 LYS  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  12 LYS  HG2       12 LYS  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  12 LYS  HB3       12 LYS  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  12 LYS  HN        13 CY1  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  12 LYS  HA        13 CY1  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 177, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  12 LYS  HG2       13 CY1  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  12 LYS  HG3       13 CY1  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  12 LYS  HA        13 CY1  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  12 LYS  HB2       13 CY1  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  12 LYS  HB3       13 CY1  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  12 LYS  HA        13 CY1  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  12 LYS  QD        14 ASP  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 165, 166,
 /
#
#  12 LYS  HG2       19 GLU  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  12 LYS  HG3       19 GLU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 249, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  12 LYS  HG2       19 GLU  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 254, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  12 LYS  HG2       19 GLU  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  12 LYS  HG3       19 GLU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  12 LYS  QE        19 GLU  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 168, 169,
 /
#
#  12 LYS  HB2       19 GLU  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  12 LYS  HB3       19 GLU  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 254, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  12 LYS  HA        19 GLU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  12 LYS  HA        19 GLU  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  12 LYS  HG3       19 GLU  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  12 LYS  HB3       19 GLU  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 253, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  12 LYS  HA        19 GLU  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  12 LYS  HB2       19 GLU  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 254, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  12 LYS  HN        20 PRO  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  12 LYS  HA        20 PRO  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  12 LYS  HA        20 PRO  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  12 LYS  HA        20 PRO  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 272, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  12 LYS  HB3       20 PRO  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 272, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  12 LYS  HB2       20 PRO  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 272, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  12 LYS  HB2       20 PRO  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 271, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  12 LYS  HB3       20 PRO  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 271, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  12 LYS  HN        21 ILE  HG13       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  12 LYS  HN        38 ASP  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 545, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  13 CY1  HN        13 CY1  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  13 CY1  HN        13 CY1  HB3        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 181, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  13 CY1  HA        13 CY1  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  13 CY1  HN        13 CY1  HB2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 182, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  13 CY1  HA        13 CY1  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  13 CY1  HN        18 ILE  HB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 234, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  13 CY1  HB2       18 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 243, 244, 245,
 /
#
#  13 CY1  HB3       18 ILE  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 243, 244, 245,
 /
#
#  13 CY1  HB3       18 ILE  HB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 234, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  13 CY1  HB3       18 ILE  HG13       6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 241, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  13 CY1  HB3       18 ILE  HG12       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  13 CY1  HN        21 ILE  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  13 CY1  HA        38 ASP  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  14 ASP  HN        13 CY1  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  14 ASP  HN        13 CY1  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  14 ASP  HN        13 CY1  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  14 ASP  HN        13 CY1  HA         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 179, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  14 ASP  HN        14 ASP  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 189, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  14 ASP  HN        14 ASP  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 191, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  14 ASP  HN        14 ASP  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  14 ASP  HB3       14 ASP  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  14 ASP  HB2       14 ASP  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 189, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  14 ASP  HB2       15 ASN  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  14 ASP  HB3       15 ASN  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  14 ASP  HN        15 ASN  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 199, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  14 ASP  HN        16 CY1  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  14 ASP  HN        18 ILE  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 236, 237, 238,
 /
#
#  14 ASP  HN        21 ILE  HG13       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 289, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  14 ASP  HN        21 ILE  HG12       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 288, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  14 ASP  HN        21 ILE  QD1        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 291, 292, 293,
 /
#
#  14 ASP  HN        37 LEU  QD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 535, 536, 537,
 /
#
#  14 ASP  HB3       37 LEU  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 531, 532, 533,
 /
#
#  14 ASP  HB2       37 LEU  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 531, 532, 533,
 /
#
#  14 ASP  HB2       37 LEU  QD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 535, 536, 537,
 /
#
#  14 ASP  HN        37 LEU  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  14 ASP  HB3       37 LEU  QD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 535, 536, 537,
 /
#
#  14 ASP  HN        38 ASP  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  14 ASP  HN        38 ASP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  14 ASP  HN        38 ASP  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 545, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  14 ASP  HB2       38 ASP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  14 ASP  HN        39 PHE  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 555, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  14 ASP  HB3       39 PHE  HZ         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 565, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  14 ASP  HB2       39 PHE  HZ         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 565, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  15 ASN  HN        13 CY1  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 179, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  15 ASN  HN        13 CY1  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  15 ASN  HB3       13 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 181, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  15 ASN  HN        13 CY1  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  15 ASN  HN        14 ASP  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  15 ASN  HB3       14 ASP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 187, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  15 ASN  HA        14 ASP  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 187, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  15 ASN  HA        15 ASN  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  15 ASN  HN        15 ASN  HD21       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  15 ASN  HB2       15 ASN  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  15 ASN  HD22      15 ASN  HD21       2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 208, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  15 ASN  HB3       15 ASN  HD21       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 208, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  15 ASN  HB2       15 ASN  HD21       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 208, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  15 ASN  HB3       15 ASN  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  15 ASN  HB2       15 ASN  HD22       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 209, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  15 ASN  HA        15 ASN  HD22       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  15 ASN  HA        15 ASN  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  15 ASN  HB3       15 ASN  HD22       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 209, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  15 ASN  HA        15 ASN  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  15 ASN  HA        16 CY1  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  15 ASN  HN        16 CY1  HN         3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 213, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  /
#
#  15 ASN  HD22      16 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 217, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  15 ASN  HB2       16 CY1  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  15 ASN  HD21      16 CY1  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 218, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  15 ASN  HD21      16 CY1  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  15 ASN  HB3       16 CY1  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  15 ASN  HB3       16 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 217, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  15 ASN  HD22      16 CY1  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 218, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  15 ASN  HN        17 GLY  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 223, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  15 ASN  HB3       17 GLY  HN         5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 223, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  /
#
#  15 ASN  HB2       17 GLY  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 223, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  15 ASN  HB3       18 ILE  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 236, 237, 238,
 /
#
#  15 ASN  HN        37 LEU  QD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 535, 536, 537,
 /
#
#  15 ASN  HN        38 ASP  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  15 ASN  HN        39 PHE  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 555, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  15 ASN  HB3       43 CY1  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 611, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  15 ASN  HB3       43 CY1  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  15 ASN  HB2       43 CY1  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 611, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  15 ASN  HB2       43 CY1  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  15 ASN  HA        43 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 610, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  15 ASN  HB3       46 CYS  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 639, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  15 ASN  HB2       46 CYS  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 639, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  16 CY1  HN        13 CY1  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  16 CY1  HN        13 CY1  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  16 CY1  HN        15 ASN  HD22       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  16 CY1  HN        15 ASN  HD21       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  16 CY1  HN        16 CY1  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  16 CY1  HN        16 CY1  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 215, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  16 CY1  HN        16 CY1  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  16 CY1  HB2       16 CY1  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  16 CY1  HB3       16 CY1  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  16 CY1  HN        18 ILE  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 232, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  17 GLY  HN        12 LYS  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  17 GLY  HN        12 LYS  QD         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 165, 166,
 /
#
#  17 GLY  HN        12 LYS  QE         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 168, 169,
 /
#
#  17 GLY  HA2       12 LYS  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  17 GLY  HA2       12 LYS  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  17 GLY  HA2       12 LYS  QE         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 168, 169,
 /
#
#  17 GLY  HA3       12 LYS  QE         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 168, 169,
 /
#
#  17 GLY  HA3       12 LYS  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  17 GLY  HA3       12 LYS  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  17 GLY  HA2       12 LYS  QD         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 165, 166,
 /
#
#  17 GLY  HA3       12 LYS  QD         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 165, 166,
 /
#
#  17 GLY  HA3       13 CY1  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  17 GLY  HN        13 CY1  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  17 GLY  HN        13 CY1  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  17 GLY  HA2       13 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 181, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  17 GLY  HA3       13 CY1  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  17 GLY  HN        13 CY1  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 181, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  17 GLY  HA2       13 CY1  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 179, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  17 GLY  HN        14 ASP  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 189, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  17 GLY  HA2       14 ASP  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  17 GLY  HA3       14 ASP  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  17 GLY  HA3       16 CY1  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  17 GLY  HN        16 CY1  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  17 GLY  HN        16 CY1  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  17 GLY  HN        16 CY1  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  17 GLY  HA2       16 CY1  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  17 GLY  HA2       16 CY1  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  17 GLY  HA3       16 CY1  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 218, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  17 GLY  HA3       17 GLY  HN         2.50  --> 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 223, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  17 GLY  HA2       17 GLY  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 223, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  17 GLY  HN        18 ILE  HB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 234, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  17 GLY  HN        18 ILE  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  18 ILE  HN        12 LYS  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  18 ILE  HN        12 LYS  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 157, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  18 ILE  QG2       12 LYS  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  HN        13 CY1  HB3        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 181, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  18 ILE  HN        13 CY1  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  18 ILE  QG2       13 CY1  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  QG2       13 CY1  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  QG2       13 CY1  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  QG2       13 CY1  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  HN        16 CY1  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  18 ILE  QG2       16 CY1  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  HN        16 CY1  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  18 ILE  HN        17 GLY  HA3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  18 ILE  HN        17 GLY  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 223, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  18 ILE  QG2       17 GLY  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  QG2       17 GLY  HA3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  HN        17 GLY  HA2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  18 ILE  QG2       18 ILE  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  HN        18 ILE  HG12       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  18 ILE  HA        18 ILE  QD1        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 243, 244, 245,
 /
#
#  18 ILE  HN        18 ILE  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 243, 244, 245,
 /
#
#  18 ILE  QG2       18 ILE  HG13       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  HN        18 ILE  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 232, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  18 ILE  QG2       18 ILE  HG12       2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  HA        18 ILE  HG12       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  18 ILE  HA        18 ILE  HG13       3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 241, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  18 ILE  QG2       18 ILE  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  HB        18 ILE  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  18 ILE  HN        18 ILE  HG13       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 241, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  18 ILE  HB        18 ILE  HG13       3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 241, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  18 ILE  QD1       18 ILE  HG12       2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 243, 244, 245,
 /
#
#  18 ILE  QD1       18 ILE  HG13       2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 243, 244, 245,
 /
#
#  18 ILE  HN        18 ILE  HB         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 234, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  18 ILE  QG2       18 ILE  HB         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  HB        18 ILE  HG12       3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 240, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  18 ILE  HB        18 ILE  QD1        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 243, 244, 245,
 /
#
#  18 ILE  HN        19 GLU  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  18 ILE  QG2       19 GLU  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  HG12      19 GLU  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  18 ILE  HG13      19 GLU  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  18 ILE  HA        19 GLU  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  18 ILE  HA        19 GLU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  18 ILE  HG12      19 GLU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  18 ILE  HG13      19 GLU  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  18 ILE  HN        21 ILE  HG12       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 288, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  18 ILE  QG2       21 ILE  QG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 236, 237, 238,
 igr2= 284, 285, 286,
 /
#
#  18 ILE  QG2       21 ILE  HG13       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  HG13      21 ILE  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 280, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  18 ILE  QG2       21 ILE  HG12       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  QD1       21 ILE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 243, 244, 245,
 /
#
#  18 ILE  QG2       21 ILE  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  QG2       21 ILE  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 236, 237, 238,
 igr2= 291, 292, 293,
 /
#
#  18 ILE  HG12      21 ILE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  18 ILE  QG2       22 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  HG12      22 GLN  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  18 ILE  QD1       22 GLN  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 243, 244, 245,
 /
#
#  18 ILE  QD1       22 GLN  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 243, 244, 245,
 /
#
#  18 ILE  QD1       22 GLN  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 243, 244, 245,
 /
#
#  18 ILE  HG13      22 GLN  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 297, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  18 ILE  QD1       22 GLN  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 243, 244, 245,
 /
#
#  18 ILE  QG2       40 CY1  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  QG2       40 CY1  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  QG2       42 SER  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 236, 237, 238,
 /
#
#  18 ILE  QG2       43 CY1  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 236, 237, 238,
 /
#
#  19 GLU  HN        13 CY1  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  19 GLU  HN        18 ILE  HA         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 232, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  19 GLU  HN        18 ILE  HB         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  19 GLU  HN        18 ILE  HG12       2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 240, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  19 GLU  HN        18 ILE  QD1        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 243, 244, 245,
 /
#
#  19 GLU  HN        18 ILE  HG13       2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 241, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  19 GLU  HN        19 GLU  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 254, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  19 GLU  HN        19 GLU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  19 GLU  HB3       19 GLU  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  19 GLU  HN        19 GLU  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 253, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  19 GLU  HB2       19 GLU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  19 GLU  HN        20 PRO  HD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 265, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  19 GLU  HN        20 PRO  HD3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  19 GLU  HB3       20 PRO  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  19 GLU  HB2       20 PRO  HB2        5.00 --> 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  19 GLU  HB2       20 PRO  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  19 GLU  HB3       20 PRO  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 272, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  20 PRO  HA         9 VAL  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  20 PRO  HG2        9 VAL  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  20 PRO  HG3        9 VAL  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  20 PRO  HG3        9 VAL  HB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  20 PRO  HG2        9 VAL  HB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 116, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  20 PRO  HD2        9 VAL  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 122, 123, 124,
 /
#
#  20 PRO  HD3        9 VAL  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 122, 123, 124,
 /
#
#  20 PRO  HA        13 CY1  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  20 PRO  HA        19 GLU  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  20 PRO  HA        19 GLU  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 254, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  20 PRO  HA        19 GLU  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 251, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  20 PRO  HB2       19 GLU  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  20 PRO  HG2       19 GLU  HA         5.00  --> 5.5 --> 6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  20 PRO  HA        19 GLU  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 253, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  20 PRO  HA        20 PRO  HD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 265, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  20 PRO  HA        20 PRO  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  20 PRO  HA        20 PRO  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 271, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  20 PRO  HA        20 PRO  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 269, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  20 PRO  HD3       20 PRO  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 272, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  20 PRO  HD2       20 PRO  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 272, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  20 PRO  HG3       20 PRO  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  20 PRO  HA        20 PRO  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 268, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  20 PRO  HD3       20 PRO  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 271, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  20 PRO  HD3       20 PRO  HG3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  20 PRO  HD2       20 PRO  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  20 PRO  HD3       20 PRO  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  20 PRO  HD2       20 PRO  HG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 268, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  20 PRO  HD2       20 PRO  HG3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  20 PRO  HA        20 PRO  HD3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  20 PRO  HG2       21 ILE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  20 PRO  HA        21 ILE  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 278, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  20 PRO  HG3       21 ILE  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 ILE  HB         8 HIE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  21 ILE  HB         8 HIE  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 ILE  HB         8 HIE  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  99, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  21 ILE  QD1       11 PHE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  HB        11 PHE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 135, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  21 ILE  QD1       11 PHE  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  HB        11 PHE  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 ILE  HB        11 PHE  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 ILE  QD1       12 LYS  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  HG13      12 LYS  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  21 ILE  HG12      12 LYS  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  21 ILE  QD1       12 LYS  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  HG12      13 CY1  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  21 ILE  HG13      13 CY1  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 ILE  QG2       13 CY1  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 284, 285, 286,
 /
#
#  21 ILE  HG12      13 CY1  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  21 ILE  QD1       13 CY1  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  HG13      13 CY1  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  21 ILE  HG12      13 CY1  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 ILE  HG13      13 CY1  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 179, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  21 ILE  QD1       13 CY1  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  QD1       13 CY1  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  QD1       13 CY1  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  HG13      13 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 181, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  21 ILE  HG12      13 CY1  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 179, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  21 ILE  QG2       18 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 284, 285, 286,
 igr2= 243, 244, 245,
 /
#
#  21 ILE  HG13      20 PRO  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 ILE  HB        20 PRO  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 ILE  QG2       21 ILE  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 284, 285, 286,
 /
#
#  21 ILE  QG2       21 ILE  HG13       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 284, 285, 286,
 /
#
#  21 ILE  QD1       21 ILE  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  HB        21 ILE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 280, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  21 ILE  HG13      21 ILE  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 278, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  21 ILE  HN        21 ILE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 280, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  21 ILE  QG2       21 ILE  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 284, 285, 286,
 /
#
#  21 ILE  HG13      21 ILE  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 280, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  21 ILE  QG2       21 ILE  QD1        2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 284, 285, 286,
 igr2= 291, 292, 293,
 /
#
#  21 ILE  QD1       21 ILE  HG13       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  QD1       21 ILE  HG12       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  QD1       21 ILE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  HB        21 ILE  HG13       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 ILE  HG12      21 ILE  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 280, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  21 ILE  HG12      21 ILE  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 278, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  21 ILE  HB        21 ILE  QG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 284, 285, 286,
 /
#
#  21 ILE  HB        21 ILE  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  21 ILE  HB        21 ILE  HG12       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  21 ILE  HB        21 ILE  QD1        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 291, 292, 293,
 /
#
#  21 ILE  HG13      22 GLN  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 ILE  QG2       22 GLN  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 284, 285, 286,
 /
#
#  21 ILE  QG2       22 GLN  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 284, 285, 286,
 /
#
#  21 ILE  QG2       22 GLN  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 284, 285, 286,
 /
#
#  21 ILE  QG2       22 GLN  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 284, 285, 286,
 /
#
#  21 ILE  HG12      22 GLN  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 ILE  QD1       22 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  HB        22 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  21 ILE  QG2       25 ARG  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 284, 285, 286,
 /
#
#  21 ILE  QG2       38 ASP  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 284, 285, 286,
 /
#
#  21 ILE  QD1       38 ASP  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  QD1       38 ASP  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  QD1       38 ASP  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  HG12      40 CY1  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 578, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  21 ILE  QD1       40 CY1  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  HG13      40 CY1  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 578, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  21 ILE  QG2       40 CY1  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 284, 285, 286,
 /
#
#  21 ILE  QD1       40 CY1  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 291, 292, 293,
 /
#
#  21 ILE  QG2       40 CY1  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 284, 285, 286,
 /
#
#  22 GLN  HE21       7 GLN  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  82, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  22 GLN  HE21       7 GLN  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  83, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  22 GLN  HB3        7 GLN  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  82, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  22 GLN  HA         7 GLN  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  83, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  22 GLN  HA         7 GLN  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  82, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  22 GLN  HE21       9 VAL  QG1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 118, 119, 120,
 /
#
#  22 GLN  HE21       9 VAL  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 122, 123, 124,
 /
#
#  22 GLN  HN        21 ILE  HA         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 280, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  22 GLN  HG2       21 ILE  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 280, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  22 GLN  HB3       21 ILE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  22 GLN  HG3       21 ILE  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 280, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  22 GLN  HA        21 ILE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  22 GLN  HB2       21 ILE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  22 GLN  HE21      22 GLN  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  22 GLN  HE21      22 GLN  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  22 GLN  HG3       22 GLN  HE22       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 310, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  22 GLN  HB2       22 GLN  HE22       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  22 GLN  HN        22 GLN  HG3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 305, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  22 GLN  HN        22 GLN  HG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  22 GLN  HN        22 GLN  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  22 GLN  HN        22 GLN  HE22       6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 310, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  22 GLN  HA        22 GLN  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  22 GLN  HA        22 GLN  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  22 GLN  HG2       22 GLN  HE22       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 310, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  22 GLN  HB2       22 GLN  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  22 GLN  HB2       22 GLN  HG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  22 GLN  HB3       22 GLN  HG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  22 GLN  HB3       22 GLN  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  22 GLN  HA        22 GLN  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  22 GLN  HA        22 GLN  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  22 GLN  HE21      22 GLN  HG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  22 GLN  HN        22 GLN  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  22 GLN  HA        22 GLN  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 297, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  23 GLY  HA2        4 GLY  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  44, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  23 GLY  HN         5 SER  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  53, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  23 GLY  HN         6 VAL  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  62, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  23 GLY  HA3        6 VAL  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  62, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  23 GLY  HA2        6 VAL  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  62, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  23 GLY  HA2        6 VAL  HB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  23 GLY  HA3        6 VAL  HB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  23 GLY  HN         6 VAL  HB         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  66, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  23 GLY  HN         7 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  23 GLY  HA3       21 ILE  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 284, 285, 286,
 /
#
#  23 GLY  HA2       21 ILE  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 284, 285, 286,
 /
#
#  23 GLY  HN        22 GLN  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  23 GLY  HN        22 GLN  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 304, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  23 GLY  HN        22 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  23 GLY  HN        22 GLN  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  23 GLY  HA3       22 GLN  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 302, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  23 GLY  HA3       22 GLN  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 301, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  23 GLY  HA2       22 GLN  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 299, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  23 GLY  HN        22 GLN  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 299, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  23 GLY  HA2       22 GLN  HN         5.50  --> 6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  23 GLY  HN        22 GLN  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 302, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  23 GLY  HA3       22 GLN  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  23 GLY  HN        23 GLY  HA3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  23 GLY  HN        23 GLY  HA2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  23 GLY  HN        24 VAL  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  24 VAL  HN         4 GLY  QA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  46,  47,
 /
#
#  24 VAL  QG1        4 GLY  QA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 327, 328, 329,
 igr2=  46,  47,
 /
#
#  24 VAL  QG2        4 GLY  QA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 331, 332, 333,
 igr2=  46,  47,
 /
#
#  24 VAL  HN         6 VAL  HB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  24 VAL  QG2        6 VAL  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 331, 332, 333,
 igr2=  72,  73,  74,
 /
#
#  24 VAL  QG2        6 VAL  HB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG1        6 VAL  HB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  HN        21 ILE  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 284, 285, 286,
 /
#
#  24 VAL  QG2       21 ILE  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 331, 332, 333,
 igr2= 284, 285, 286,
 /
#
#  24 VAL  HA        21 ILE  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 284, 285, 286,
 /
#
#  24 VAL  QG1       22 GLN  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  HN        23 GLY  HA3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  24 VAL  HN        23 GLY  HA2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  24 VAL  QG1       23 GLY  HA3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  HB        23 GLY  HA2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  24 VAL  QG1       23 GLY  HA2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  HA        24 VAL  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 321, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  24 VAL  QG1       24 VAL  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  QG2       24 VAL  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG1       24 VAL  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  QG2       24 VAL  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG2       24 VAL  QG1        2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 331, 332, 333,
 igr2= 327, 328, 329,
 /
#
#  24 VAL  QG1       24 VAL  HB         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  HA        24 VAL  HB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  24 VAL  QG2       24 VAL  HB         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  HB        24 VAL  HN         3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 321, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  /
#
#  24 VAL  HA        25 ARG  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 337, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  24 VAL  QG2       25 ARG  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  HA        25 ARG  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  24 VAL  QG1       25 ARG  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  QG2       25 ARG  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  HB        25 ARG  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  24 VAL  QG1       26 TRP  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  QG1       26 TRP  HE1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  HB        26 TRP  HD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 369, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  24 VAL  QG2       26 TRP  HZ2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG1       26 TRP  HD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  QG1       26 TRP  HZ2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  QG2       26 TRP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG2       26 TRP  HE1        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG2       26 TRP  HD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG2       26 TRP  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  HB        26 TRP  HE1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  24 VAL  QG2       27 HIE  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG2       41 ASP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  HB        41 ASP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  24 VAL  QG1       41 ASP  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  QG2       41 ASP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG2       41 ASP  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG1       41 ASP  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  HB        41 ASP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  24 VAL  HB        41 ASP  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 588, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  24 VAL  QG1       61 PRO  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  QG2       61 PRO  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG2       61 PRO  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG2       61 PRO  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG1       61 PRO  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  HA        62 ILE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 894, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  24 VAL  QG2       62 ILE  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG2       62 ILE  HB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG1       62 ILE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  HA        63 TYR  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 913, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  24 VAL  QG1       63 TYR  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  QG2       63 TYR  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG2       63 TYR  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG1       63 TYR  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  QG1       63 TYR  QE         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 327, 328, 329,
 igr2= 923, 928,
 /
#
#  24 VAL  QG2       63 TYR  QE         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 331, 332, 333,
 igr2= 923, 928,
 /
#
#  24 VAL  QG1       63 TYR  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  QG2       63 TYR  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 331, 332, 333,
 /
#
#  24 VAL  QG1       63 TYR  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 327, 328, 329,
 /
#
#  24 VAL  QG2       63 TYR  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 331, 332, 333,
 /
#
#  25 ARG  HN        21 ILE  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 284, 285, 286,
 /
#
#  25 ARG  HA        21 ILE  QG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 284, 285, 286,
 /
#
#  25 ARG  HA        21 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 291, 292, 293,
 /
#
#  25 ARG  HN        24 VAL  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  25 ARG  HA        24 VAL  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  25 ARG  HN        25 ARG  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  25 ARG  HA        25 ARG  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  25 ARG  HN        25 ARG  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  25 ARG  HA        25 ARG  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  25 ARG  HN        62 ILE  HB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 898, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  25 ARG  HN        62 ILE  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 907, 908, 909,
 /
#
#  25 ARG  HN        62 ILE  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 900, 901, 902,
 /
#
#  25 ARG  HB3       62 ILE  HB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 898, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  26 TRP  HN        21 ILE  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 284, 285, 286,
 /
#
#  26 TRP  HB2       21 ILE  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 291, 292, 293,
 /
#
#  26 TRP  HN        21 ILE  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 291, 292, 293,
 /
#
#  26 TRP  HE1       24 VAL  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 321, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  26 TRP  HZ2       24 VAL  HB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 325, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  26 TRP  HN        25 ARG  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 TRP  HN        25 ARG  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 342, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 TRP  HN        25 ARG  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 341, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  26 TRP  HN        25 ARG  HA         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 339, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  26 TRP  HB2       25 ARG  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  26 TRP  HD1       25 ARG  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 TRP  HD1       26 TRP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  26 TRP  HN        26 TRP  HE1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 371, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  26 TRP  HB2       26 TRP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  26 TRP  HZ2       26 TRP  HE1        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 371, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  26 TRP  HD1       26 TRP  HE1        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 371, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  26 TRP  HB2       26 TRP  HE1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 TRP  HB3       26 TRP  HE1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  26 TRP  HZ2       26 TRP  HH2        2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  26 TRP  HZ2       26 TRP  HZ3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 TRP  HZ3       26 TRP  HH2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 376, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  26 TRP  HD1       26 TRP  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 363, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  26 TRP  HB3       26 TRP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  26 TRP  HZ3       26 TRP  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  26 TRP  HZ3       26 TRP  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 365, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  26 TRP  HZ3       27 HIE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  26 TRP  HN        27 HIE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 385, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  26 TRP  HA        27 HIE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 385, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  26 TRP  HB3       27 HIE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 385, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  26 TRP  HN        38 ASP  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 545, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  26 TRP  HB2       39 PHE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 553, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  26 TRP  HD1       39 PHE  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 TRP  HD1       39 PHE  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  26 TRP  HB3       39 PHE  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  26 TRP  HB3       39 PHE  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 553, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  26 TRP  HB2       39 PHE  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  26 TRP  HB2       39 PHE  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  26 TRP  HD1       40 CY1  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 575, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 TRP  HD1       41 ASP  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 583, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  26 TRP  HD1       41 ASP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  26 TRP  HE1       42 SER  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  26 TRP  HD1       44 SER  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 616, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  26 TRP  HE1       44 SER  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 TRP  HD1       44 SER  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 620, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 TRP  HD1       44 SER  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  26 TRP  HZ3       59 LEU  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  26 TRP  HZ3       59 LEU  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 TRP  HZ3       59 LEU  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  26 TRP  HZ3       59 LEU  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 TRP  HD1       59 LEU  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 855, 856, 857,
 /
#
#  26 TRP  HH2       59 LEU  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 855, 856, 857,
 /
#
#  26 TRP  HZ3       59 LEU  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 855, 856, 857,
 /
#
#  26 TRP  HZ3       60 GLU  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 865, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  26 TRP  HZ3       60 GLU  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 867, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 TRP  HZ2       61 PRO  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 887, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  26 TRP  HZ3       61 PRO  HD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 881, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 TRP  HZ3       61 PRO  HD3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  26 TRP  HZ3       61 PRO  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  26 TRP  HH2       61 PRO  HD3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  26 TRP  HH2       61 PRO  HD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 881, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  27 HIE  HB3       27 HIE  HD2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  27 HIE  HB2       27 HIE  HD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  27 HIE  HN        27 HIE  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  27 HIE  HB2       27 HIE  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  27 HIE  HB3       27 HIE  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  27 HIE  HB2       27 HIE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 387, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  27 HIE  HB3       27 HIE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 387, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  27 HIE  HB2       28 CY4  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  27 HIE  HB3       28 CY4  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  27 HIE  HD2       29 GLN  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 419, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  27 HIE  HD2       29 GLN  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 414, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  27 HIE  HA        37 LEU  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  27 HIE  HA        38 ASP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  27 HIE  HB2       38 ASP  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 543, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  27 HIE  HB3       59 LEU  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 855, 856, 857,
 /
#
#  27 HIE  HB2       59 LEU  QQD        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 855, 856, 857, 859, 860, 861,
 /
#
#  27 HIE  HN        60 GLU  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 869, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  27 HIE  HN        60 GLU  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 870, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  27 HIE  HD2       60 GLU  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 872, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  27 HIE  HB3       60 GLU  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 873, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  27 HIE  HB2       60 GLU  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 865, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  27 HIE  HB3       60 GLU  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 872, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  27 HIE  HB3       60 GLU  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 865, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  27 HIE  HB2       62 ILE  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 907, 908, 909,
 /
#
#  27 HIE  HD2       62 ILE  QG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 900, 901, 902,
 /
#
#  27 HIE  HD2       62 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 907, 908, 909,
 /
#
#  27 HIE  HB3       62 ILE  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 907, 908, 909,
 /
#
#  28 CY4  HN        27 HIE  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  28 CY4  HB3       27 HIE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  28 CY4  HN        27 HIE  HA         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 387, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  28 CY4  HB2       27 HIE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  28 CY4  HB3       28 CY4  HN         2.80  --> 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  28 CY4  HA        28 CY4  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 402, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  28 CY4  HA        28 CY4  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 406, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  28 CY4  HA        28 CY4  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  28 CY4  HB2       28 CY4  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 402, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  28 CY4  HN        29 GLN  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  28 CY4  HB3       29 GLN  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 412, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  28 CY4  HA        29 GLN  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 412, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  28 CY4  HB2       29 GLN  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  28 CY4  HB3       30 ASP  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  28 CY4  HB2       30 ASP  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  28 CY4  HA        30 ASP  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 429, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  28 CY4  HB2       31 CY4  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  28 CY4  HA        31 CY4  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 441, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  28 CY4  HB3       31 CY4  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 441, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  28 CY4  HB3       31 CY4  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  28 CY4  HB2       31 CY4  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 446, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  28 CY4  HB3       31 CY4  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  28 CY4  HB2       37 LEU  QD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 535, 536, 537,
 /
#
#  28 CY4  HB2       37 LEU  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 522, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  28 CY4  HB2       37 LEU  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  28 CY4  HB2       37 LEU  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  28 CY4  HB3       37 LEU  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  28 CY4  HB2       37 LEU  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 531, 532, 533,
 /
#
#  28 CY4  HB3       37 LEU  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 531, 532, 533,
 /
#
#  28 CY4  HB3       37 LEU  QD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 535, 536, 537,
 /
#
#  28 CY4  HN        37 LEU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  28 CY4  HN        37 LEU  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  28 CY4  HB3       37 LEU  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  28 CY4  HA        39 PHE  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 563, 567,
 /
#
#  28 CY4  HB2       53 HD2  HE1        5.50  --> 6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  28 CY4  HA        57 HD2  HE1        4.50 --> 5.5 --> 6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 822, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  28 CY4  HB3       59 LEU  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 855, 856, 857,
 /
#
#  28 CY4  HB2       59 LEU  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 848, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  28 CY4  HB2       59 LEU  QD1        4.00 --> 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 855, 856, 857,
 /
#
#  28 CY4  HA        59 LEU  QD1        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 855, 856, 857,
 /
#
#  28 CY4  HA        59 LEU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  28 CY4  HB3       59 LEU  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 848, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  28 CY4  HN        60 GLU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  28 CY4  HB3       60 GLU  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 865, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  28 CY4  HA        60 GLU  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 865, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  29 GLN  HG2       29 GLN  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 412, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  29 GLN  HG3       29 GLN  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 412, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  29 GLN  HA        29 GLN  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 412, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  29 GLN  HN        29 GLN  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  29 GLN  HN        29 GLN  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  29 GLN  HA        29 GLN  HE22       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  29 GLN  HB2       29 GLN  HE22       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  29 GLN  HG2       29 GLN  HE21       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  29 GLN  HB2       29 GLN  HE21       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  29 GLN  HG3       29 GLN  HE21       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  29 GLN  HG3       29 GLN  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  29 GLN  HA        29 GLN  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  29 GLN  HG2       29 GLN  HE22       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  29 GLN  HG3       29 GLN  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  29 GLN  HA        29 GLN  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  29 GLN  HG2       29 GLN  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  29 GLN  HG2       29 GLN  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  29 GLN  HG2       29 GLN  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  29 GLN  HB3       29 GLN  HE22       6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 425, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  29 GLN  HG3       29 GLN  HE22       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  29 GLN  HN        30 ASP  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 429, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  29 GLN  HA        30 ASP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  29 GLN  HG3       30 ASP  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  29 GLN  HN        31 CY4  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 441, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  29 GLN  HN        57 HD2  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  29 GLN  HB3       57 HD2  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 817, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  29 GLN  HN        58 GLN  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  29 GLN  HN        58 GLN  QB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 833, 834,
 /
#
#  29 GLN  HN        59 LEU  HG         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 853, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  29 GLN  HN        59 LEU  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  29 GLN  HG2       59 LEU  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  29 GLN  HG3       59 LEU  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  29 GLN  HG3       59 LEU  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  29 GLN  HE22      60 GLU  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 867, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  29 GLN  HA        60 GLU  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 865, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  29 GLN  HG2       60 GLU  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 865, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  29 GLN  HG3       60 GLU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  30 ASP  HB2       29 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  30 ASP  HB3       29 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  30 ASP  HB3       29 GLN  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 416, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  30 ASP  HN        29 GLN  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  30 ASP  HN        29 GLN  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 416, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  30 ASP  HB2       29 GLN  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 416, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  30 ASP  HN        30 ASP  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 431, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  30 ASP  HB2       30 ASP  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 429, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  30 ASP  HB3       30 ASP  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 429, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  30 ASP  HB3       30 ASP  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  30 ASP  HN        31 CY4  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 445, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  30 ASP  HB2       31 CY4  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 441, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  30 ASP  HN        31 CY4  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 443, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  30 ASP  HB2       31 CY4  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 443, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  30 ASP  HN        31 CY4  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 446, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  30 ASP  HB3       31 CY4  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 441, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  30 ASP  HN        57 HD2  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 817, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  30 ASP  HN        57 HD2  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 816, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  30 ASP  HB2       57 HD2  HN         5.00  --> 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 812, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  30 ASP  HB3       57 HD2  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  30 ASP  HB2       57 HD2  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  30 ASP  HB3       57 HD2  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  30 ASP  HB2       57 HD2  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  30 ASP  HB2       57 HD2  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  31 CY4  HN        29 GLN  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  31 CY4  HN        30 ASP  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 429, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  31 CY4  HN        31 CY4  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 443, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  31 CY4  HN        31 CY4  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 445, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  31 CY4  HB2       31 CY4  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  31 CY4  HB3       31 CY4  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  31 CY4  HN        31 CY4  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 446, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  31 CY4  HN        32 PRO  HD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 452, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  31 CY4  HN        32 PRO  HD3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  31 CY4  HB2       32 PRO  HD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  31 CY4  HA        32 PRO  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  31 CY4  HB3       32 PRO  HD3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  31 CY4  HA        32 PRO  HD3        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 453, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  31 CY4  HA        32 PRO  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  31 CY4  HB3       32 PRO  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  31 CY4  HB3       32 PRO  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 455, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  31 CY4  HA        32 PRO  HD2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  31 CY4  HB2       32 PRO  HD3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  31 CY4  HB3       32 PRO  HD2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 452, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  31 CY4  HB3       35 MET  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 494, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  31 CY4  HB3       35 MET  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  31 CY4  HB2       35 MET  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  31 CY4  HB2       35 MET  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  31 CY4  HB3       35 MET  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  31 CY4  HB3       36 SER  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 513, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  31 CY4  HB2       36 SER  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  31 CY4  HA        52 ILE  QG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 733, 734, 735,
 /
#
#  31 CY4  HB2       52 ILE  QG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 733, 734, 735,
 /
#
#  31 CY4  HB3       52 ILE  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 740, 741, 742,
 /
#
#  31 CY4  HB3       52 ILE  QG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 733, 734, 735,
 /
#
#  31 CY4  HB2       52 ILE  HB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 731, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  31 CY4  HN        53 HD2  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 748, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  31 CY4  HN        57 HD2  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  31 CY4  HN        57 HD2  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 817, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  32 PRO  HD3       32 PRO  HG3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  32 PRO  HD3       32 PRO  HG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  32 PRO  HD2       32 PRO  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  32 PRO  HD2       32 PRO  HG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  32 PRO  HD3       34 GLU  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  32 PRO  HD3       35 MET  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 501, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  32 PRO  HD3       35 MET  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  32 PRO  HD3       35 MET  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 496, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  32 PRO  HD2       35 MET  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 496, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  32 PRO  HD2       35 MET  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 499, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  32 PRO  HD2       35 MET  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  32 PRO  HD3       35 MET  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  32 PRO  HD2       35 MET  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  32 PRO  HD2       35 MET  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 501, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  32 PRO  HD3       36 SER  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 513, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  32 PRO  HD2       36 SER  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 513, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  32 PRO  HD2       52 ILE  QG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 733, 734, 735,
 /
#
#  32 PRO  HD3       52 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 /
#
#  32 PRO  HD3       52 ILE  QG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 733, 734, 735,
 /
#
#  32 PRO  HD2       52 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 /
#
#  32 PRO  HD2       52 ILE  HG12       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  32 PRO  HD3       52 ILE  HG12       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  32 PRO  HD3       52 ILE  HG13       6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 738, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  32 PRO  HD3       52 ILE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  32 PRO  HD2       52 ILE  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 729, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  33 PRO  QD        32 PRO  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 466, 467,
 /
#
#  33 PRO  HA        33 PRO  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  33 PRO  HA        33 PRO  QG         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 469, 470,
 /
#
#  33 PRO  HB3       33 PRO  QG         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 469, 470,
 /
#
#  33 PRO  HA        33 PRO  QD         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 /
#
#  33 PRO  HA        33 PRO  HB3        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 473, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  33 PRO  QD        33 PRO  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 466, 467,
 /
#
#  34 GLU  HN        33 PRO  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 475, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  34 GLU  HN        33 PRO  QG         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 469, 470,
 /
#
#  34 GLU  HN        33 PRO  QD         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 466, 467,
 /
#
#  34 GLU  HN        33 PRO  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 473, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  34 GLU  HN        33 PRO  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  34 GLU  HA        33 PRO  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  34 GLU  HA        34 GLU  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 479, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  34 GLU  HA        34 GLU  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  34 GLU  HN        34 GLU  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 483, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  34 GLU  HN        34 GLU  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  34 GLU  HG2       34 GLU  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  34 GLU  HG2       34 GLU  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 483, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  34 GLU  HA        34 GLU  HG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 486, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  34 GLU  HN        34 GLU  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  34 GLU  HN        34 GLU  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 486, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  34 GLU  HA        34 GLU  HG3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  34 GLU  HG3       34 GLU  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  34 GLU  HA        34 GLU  HB2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  34 GLU  HG3       34 GLU  HB2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 483, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  34 GLU  HN        35 MET  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 498, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  35 MET  HN        32 PRO  HD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  35 MET  HN        32 PRO  HD3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  35 MET  HG3       32 PRO  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  35 MET  HN        32 PRO  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 456, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  35 MET  HN        32 PRO  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 455, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  35 MET  HG3       32 PRO  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  35 MET  HG2       32 PRO  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 455, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  35 MET  HG2       32 PRO  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  35 MET  HN        33 PRO  QD         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 466, 467,
 /
#
#  35 MET  HN        33 PRO  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  35 MET  HN        34 GLU  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 486, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  35 MET  HN        34 GLU  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 479, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  35 MET  HN        34 GLU  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 483, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  35 MET  HN        34 GLU  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 484, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  35 MET  HN        34 GLU  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 487, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  35 MET  HA        34 GLU  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  35 MET  HN        34 GLU  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  35 MET  HN        35 MET  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  35 MET  HN        35 MET  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  35 MET  HN        35 MET  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  35 MET  HG2       35 MET  QE         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 505, 506, 507,
 /
#
#  35 MET  HG3       35 MET  QE         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 505, 506, 507,
 /
#
#  35 MET  HA        35 MET  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 498, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  35 MET  HA        35 MET  QE         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 505, 506, 507,
 /
#
#  35 MET  HN        35 MET  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 501, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  35 MET  HG2       35 MET  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  35 MET  HG3       35 MET  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  35 MET  HA        35 MET  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  35 MET  HN        35 MET  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  35 MET  HG3       35 MET  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  35 MET  HG2       35 MET  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  35 MET  HG3       35 MET  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  35 MET  HN        36 SER  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 516, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  35 MET  HN        36 SER  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  35 MET  HN        36 SER  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  35 MET  HN        52 ILE  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 733, 734, 735,
 /
#
#  35 MET  HG3       52 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 /
#
#  35 MET  HN        52 ILE  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 740, 741, 742,
 /
#
#  35 MET  HG2       52 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 /
#
#  35 MET  HB2       52 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 /
#
#  35 MET  HB3       52 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 /
#
#  36 SER  HB3       33 PRO  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 475, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  36 SER  HN        34 GLU  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  36 SER  HN        34 GLU  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  36 SER  HN        35 MET  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 494, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  36 SER  HN        35 MET  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  36 SER  HN        35 MET  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  36 SER  HN        35 MET  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 496, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  36 SER  HN        35 MET  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 501, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  36 SER  HN        35 MET  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  36 SER  HN        35 MET  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 505, 506, 507,
 /
#
#  36 SER  HN        36 SER  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  36 SER  HB2       36 SER  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  36 SER  HN        36 SER  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 516, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  36 SER  HB3       36 SER  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  36 SER  HN        36 SER  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  36 SER  HN        37 LEU  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 522, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  36 SER  HA        37 LEU  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  37 LEU  QD2       28 CY4  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 535, 536, 537,
 /
#
#  37 LEU  QD1       31 CY4  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  HB2       31 CY4  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  37 LEU  QD1       31 CY4  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  HB3       31 CY4  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  37 LEU  HB2       31 CY4  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  37 LEU  HB3       31 CY4  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  37 LEU  QD1       32 PRO  HD3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  QD1       35 MET  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  QD1       35 MET  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  QD2       35 MET  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 535, 536, 537,
 /
#
#  37 LEU  QD2       35 MET  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
 igr1= 535, 536, 537,
 igr2= 505, 506, 507,
 /
#
#  37 LEU  QD1       35 MET  QE         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 531, 532, 533,
 igr2= 505, 506, 507,
 /
#
#  37 LEU  QD2       35 MET  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 535, 536, 537,
 /
#
#  37 LEU  QD1       35 MET  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  QD1       35 MET  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  QD1       36 SER  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  QD2       37 LEU  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 535, 536, 537,
 /
#
#  37 LEU  QD1       37 LEU  QD2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 531, 532, 533,
 igr2= 535, 536, 537,
 /
#
#  37 LEU  QD1       37 LEU  HG         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  QD2       37 LEU  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 535, 536, 537,
 /
#
#  37 LEU  QD1       37 LEU  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  QD1       37 LEU  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  HB2       37 LEU  HG         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 529, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  37 LEU  QD2       37 LEU  HG         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 535, 536, 537,
 /
#
#  37 LEU  QD1       37 LEU  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  QD2       37 LEU  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 535, 536, 537,
 /
#
#  37 LEU  QD2       37 LEU  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 535, 536, 537,
 /
#
#  37 LEU  HB2       37 LEU  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  37 LEU  HB2       37 LEU  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  37 LEU  HB3       37 LEU  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 524, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  37 LEU  QD1       37 LEU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  HB3       37 LEU  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  37 LEU  QD1       38 ASP  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  QD2       38 ASP  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 535, 536, 537,
 /
#
#  37 LEU  HB2       38 ASP  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  37 LEU  HB3       38 ASP  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  37 LEU  QD2       50 THR  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 535, 536, 537,
 /
#
#  37 LEU  QD1       50 THR  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  QD1       52 ILE  HB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  QD2       52 ILE  HB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 535, 536, 537,
 /
#
#  37 LEU  QD1       53 HD2  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 531, 532, 533,
 /
#
#  37 LEU  QD2       53 HD2  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 535, 536, 537,
 /
#
#  38 ASP  HB2       13 CY1  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  38 ASP  HB2       13 CY1  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  38 ASP  HA        21 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 291, 292, 293,
 /
#
#  38 ASP  HA        26 TRP  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 361, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  38 ASP  HA        26 TRP  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 365, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  38 ASP  HA        26 TRP  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 366, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  38 ASP  HA        27 HIE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  38 ASP  HA        27 HIE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 387, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  38 ASP  HA        28 CY4  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 402, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  38 ASP  HN        37 LEU  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 524, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  38 ASP  HN        37 LEU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 522, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  38 ASP  HB2       38 ASP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  38 ASP  HA        38 ASP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  38 ASP  HA        38 ASP  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  38 ASP  HB3       38 ASP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  38 ASP  HA        38 ASP  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  38 ASP  HA        39 PHE  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 553, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  38 ASP  HA        39 PHE  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 557, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  38 ASP  HA        39 PHE  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 555, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  39 PHE  HN        13 CY1  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 179, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  39 PHE  HA        13 CY1  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 182, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  39 PHE  HA        13 CY1  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 179, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  39 PHE  QD        14 ASP  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 561, 569,
 /
#
#  39 PHE  QE        14 ASP  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 563, 567,
 /
#
#  39 PHE  QD        14 ASP  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 561, 569,
 /
#
#  39 PHE  QD        14 ASP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 561, 569,
 /
#
#  39 PHE  QE        14 ASP  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 563, 567,
 /
#
#  39 PHE  QE        14 ASP  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 563, 567,
 /
#
#  39 PHE  QD        15 ASN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 561, 569,
 /
#
#  39 PHE  QE        15 ASN  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 563, 567,
 /
#
#  39 PHE  QE        15 ASN  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 563, 567,
 /
#
#  39 PHE  QE        15 ASN  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 563, 567,
 /
#
#  39 PHE  QE        15 ASN  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 563, 567,
 /
#
#  39 PHE  QD        15 ASN  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 561, 569,
 /
#
#  39 PHE  QD        15 ASN  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 561, 569,
 /
#
#  39 PHE  HN        21 ILE  QD1        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 291, 292, 293,
 /
#
#  39 PHE  HN        21 ILE  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 284, 285, 286,
 /
#
#  39 PHE  HN        21 ILE  HG13       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 289, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  39 PHE  HA        21 ILE  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 291, 292, 293,
 /
#
#  39 PHE  QD        21 ILE  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 561, 569,
 igr2= 291, 292, 293,
 /
#
#  39 PHE  HB3       21 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 291, 292, 293,
 /
#
#  39 PHE  HB2       26 TRP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  39 PHE  HN        26 TRP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  39 PHE  QD        26 TRP  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 561, 569,
 /
#
#  39 PHE  QE        26 TRP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 563, 567,
 /
#
#  39 PHE  QD        26 TRP  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 561, 569,
 /
#
#  39 PHE  QD        26 TRP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 561, 569,
 /
#
#  39 PHE  HB3       26 TRP  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 361, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  39 PHE  HN        27 HIE  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 387, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  39 PHE  HN        28 CY4  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 402, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  39 PHE  QD        28 CY4  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 407, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 561, 569,
 /
#
#  39 PHE  QE        28 CY4  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 563, 567,
 /
#
#  39 PHE  QE        37 LEU  QD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 563, 567,
 igr2= 535, 536, 537,
 /
#
#  39 PHE  HZ        37 LEU  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 531, 532, 533,
 /
#
#  39 PHE  HZ        37 LEU  QD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 535, 536, 537,
 /
#
#  39 PHE  HN        38 ASP  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 546, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  39 PHE  HN        38 ASP  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 545, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  39 PHE  HN        38 ASP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  39 PHE  QD        38 ASP  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 561, 569,
 /
#
#  39 PHE  HN        39 PHE  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 555, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  39 PHE  QD        39 PHE  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 561, 569,
 /
#
#  39 PHE  QE        39 PHE  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 563, 567,
 /
#
#  39 PHE  QE        39 PHE  HZ         2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 563, 567,
 /
#
#  39 PHE  HB3       39 PHE  HZ         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 565, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  39 PHE  QD        39 PHE  HZ         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 561, 569,
 /
#
#  39 PHE  QE        39 PHE  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 563, 567,
 /
#
#  39 PHE  QE        39 PHE  QD         2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 563, 567,
 igr2= 561, 569,
 /
#
#  39 PHE  QD        39 PHE  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 561, 569,
 /
#
#  39 PHE  HB3       39 PHE  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  39 PHE  HB3       39 PHE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  39 PHE  QD        39 PHE  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 561, 569,
 /
#
#  39 PHE  QD        39 PHE  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 561, 569,
 /
#
#  39 PHE  HB2       39 PHE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  39 PHE  HB2       39 PHE  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  39 PHE  QD        40 CY1  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 561, 569,
 /
#
#  39 PHE  HB2       43 CY1  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  39 PHE  QD        43 CY1  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 561, 569,
 /
#
#  39 PHE  QE        43 CY1  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 563, 567,
 igr2= 611, 610,
 /
#
#  39 PHE  QD        43 CY1  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 561, 569,
 /
#
#  39 PHE  HB3       43 CY1  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 608, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  39 PHE  HB2       44 SER  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  39 PHE  HB2       44 SER  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  39 PHE  HB2       46 CYS  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  39 PHE  HZ        48 HIE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 669, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  39 PHE  QE        48 HIE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 563, 567,
 /
#
#  39 PHE  HZ        48 HIE  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 673, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  39 PHE  HZ        48 HIE  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  39 PHE  HZ        50 THR  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 701, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  39 PHE  HB3       59 LEU  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 855, 856, 857,
 /
#
#  39 PHE  QE        59 LEU  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 563, 567,
 igr2= 855, 856, 857,
 /
#
#  39 PHE  QD        59 LEU  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 561, 569,
 igr2= 855, 856, 857,
 /
#
#  40 CY1  HN        13 CY1  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  40 CY1  HN        13 CY1  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  40 CY1  HN        13 CY1  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  40 CY1  HN        13 CY1  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  40 CY1  HB3       13 CY1  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  40 CY1  HB2       13 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 181, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  40 CY1  HN        18 ILE  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 230, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  40 CY1  HB2       18 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 243, 244, 245,
 /
#
#  40 CY1  HN        18 ILE  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 236, 237, 238,
 /
#
#  40 CY1  HA        18 ILE  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 236, 237, 238,
 /
#
#  40 CY1  HN        21 ILE  QD1        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 291, 292, 293,
 /
#
#  40 CY1  HA        21 ILE  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 291, 292, 293,
 /
#
#  40 CY1  HN        21 ILE  HG12       6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 288, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  40 CY1  HN        21 ILE  QG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 284, 285, 286,
 /
#
#  40 CY1  HA        21 ILE  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 280, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  40 CY1  HA        21 ILE  QG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 284, 285, 286,
 /
#
#  40 CY1  HA        21 ILE  HG12       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  40 CY1  HA        21 ILE  HG13       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  40 CY1  HA        22 GLN  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  40 CY1  HB2       22 GLN  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  40 CY1  HB3       22 GLN  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  40 CY1  HA        26 TRP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  40 CY1  HA        26 TRP  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 366, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  40 CY1  HN        39 PHE  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 557, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  40 CY1  HN        39 PHE  HA         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 555, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  40 CY1  HN        39 PHE  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  40 CY1  HA        39 PHE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  40 CY1  HA        40 CY1  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 573, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  40 CY1  HN        40 CY1  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 577, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  40 CY1  HN        40 CY1  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  40 CY1  HA        40 CY1  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  40 CY1  HA        40 CY1  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 577, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  40 CY1  HA        41 ASP  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  40 CY1  HN        41 ASP  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  40 CY1  HA        41 ASP  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 588, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  40 CY1  HA        42 SER  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  40 CY1  HB3       42 SER  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 595, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  40 CY1  HN        42 SER  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  40 CY1  HB3       42 SER  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  40 CY1  HB2       42 SER  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 599, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  40 CY1  HB2       42 SER  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  40 CY1  HN        43 CY1  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 606, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  40 CY1  HN        43 CY1  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  40 CY1  HN        43 CY1  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  40 CY1  HN        44 SER  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  40 CY1  HN        44 SER  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  41 ASP  HN        18 ILE  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 236, 237, 238,
 /
#
#  41 ASP  HN        21 ILE  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 291, 292, 293,
 /
#
#  41 ASP  HN        21 ILE  QG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 284, 285, 286,
 /
#
#  41 ASP  HB2       21 ILE  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 284, 285, 286,
 /
#
#  41 ASP  HN        22 GLN  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  41 ASP  HB3       24 VAL  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  41 ASP  HB2       24 VAL  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  41 ASP  HN        24 VAL  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  41 ASP  HN        26 TRP  HE1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  41 ASP  HB3       26 TRP  HE1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  41 ASP  HB2       26 TRP  HE1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  41 ASP  HA        26 TRP  HE1        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  41 ASP  HB3       40 CY1  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  41 ASP  HN        40 CY1  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 577, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  41 ASP  HN        40 CY1  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 578, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  41 ASP  HB2       40 CY1  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 577, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  41 ASP  HN        41 ASP  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  41 ASP  HN        41 ASP  HB3        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 588, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  41 ASP  HA        41 ASP  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 587, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  41 ASP  HN        41 ASP  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  41 ASP  HA        41 ASP  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  41 ASP  HA        42 SER  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  41 ASP  HN        42 SER  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 595, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  41 ASP  HN        42 SER  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 597, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  41 ASP  HN        42 SER  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  41 ASP  HB2       42 SER  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 595, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  41 ASP  HB3       42 SER  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  41 ASP  HA        43 CY1  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  41 ASP  HN        43 CY1  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 606, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  42 SER  HA        42 SER  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 595, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  42 SER  HN        42 SER  HB3        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 600, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  42 SER  HA        42 SER  HB2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 599, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  42 SER  HN        42 SER  HB2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 599, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  42 SER  HA        42 SER  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  43 CY1  HA        15 ASN  HD22       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 CY1  HA        15 ASN  HD21       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 CY1  HB3       15 ASN  HD22       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 CY1  HB2       15 ASN  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  43 CY1  HB3       15 ASN  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  43 CY1  HB2       15 ASN  HD21       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 CY1  HB3       15 ASN  HD21       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 CY1  HB2       15 ASN  HD22       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 209, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  43 CY1  HB2       16 CY1  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  43 CY1  HB3       16 CY1  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  43 CY1  HB3       39 PHE  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 555, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  43 CY1  HN        40 CY1  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  43 CY1  HN        40 CY1  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 578, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  43 CY1  HB3       40 CY1  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  43 CY1  HB3       40 CY1  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 578, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  43 CY1  HN        42 SER  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 597, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  43 CY1  HN        42 SER  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 595, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  43 CY1  HB3       42 SER  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  43 CY1  HN        42 SER  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  43 CY1  HN        42 SER  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 599, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  43 CY1  HB2       43 CY1  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 606, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  43 CY1  HB3       43 CY1  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 606, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  43 CY1  HN        43 CY1  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 608, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  43 CY1  HB3       43 CY1  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  43 CY1  HB2       43 CY1  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  43 CY1  HB2       44 SER  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 CY1  HB3       44 SER  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 616, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  43 CY1  HB3       45 ASP  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 627, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 CY1  HB3       46 CYS  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 639, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  43 CY1  HB2       46 CYS  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 CY1  HB2       46 CYS  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  43 CY1  HB2       46 CYS  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 639, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  44 SER  HB2       21 ILE  QG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 284, 285, 286,
 /
#
#  44 SER  HB2       26 TRP  HE1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  44 SER  HB3       26 TRP  HE1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  44 SER  HB2       39 PHE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  44 SER  HN        40 CY1  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 578, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  44 SER  HN        42 SER  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 597, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  44 SER  HN        42 SER  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 599, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  44 SER  HN        42 SER  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  44 SER  HN        42 SER  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 595, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  44 SER  HB2       43 CY1  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  44 SER  HN        43 CY1  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 606, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  44 SER  HN        43 CY1  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 608, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  44 SER  HN        44 SER  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 618, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  44 SER  HB3       44 SER  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  44 SER  HB2       44 SER  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  44 SER  HB3       44 SER  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  44 SER  HB2       45 ASP  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  44 SER  HB3       45 ASP  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  44 SER  HN        45 ASP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  44 SER  HN        46 CYS  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 639, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  44 SER  HB2       46 CYS  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  44 SER  HB3       46 CYS  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  45 ASP  HN        15 ASN  HD22       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 209, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  45 ASP  HN        43 CY1  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 606, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  45 ASP  HN        43 CY1  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 608, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  45 ASP  HB3       45 ASP  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  45 ASP  HN        45 ASP  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 629, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  45 ASP  HB2       45 ASP  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  45 ASP  HB3       45 ASP  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  45 ASP  HN        45 ASP  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 631, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  45 ASP  HN        46 CYS  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 639, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  45 ASP  HN        46 CYS  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  45 ASP  HN        46 CYS  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  46 CYS  HB3       15 ASN  HD22       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 644, 209, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  46 CYS  HB2       15 ASN  HD22       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 209, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  46 CYS  HB3       15 ASN  HD21       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 644, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  46 CYS  HB2       15 ASN  HD21       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  46 CYS  HN        43 CY1  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 608, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  46 CYS  HB3       43 CY1  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 644, 608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  46 CYS  HB2       43 CY1  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  46 CYS  HN        45 ASP  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  46 CYS  HN        45 ASP  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 632, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  46 CYS  HN        46 CYS  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 643, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  46 CYS  HN        46 CYS  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 644, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  46 CYS  HB2       46 CYS  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  46 CYS  HN        46 CYS  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 641, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  46 CYS  HB3       46 CYS  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 644, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  46 CYS  HN        47 LEU  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  46 CYS  HN        47 LEU  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  46 CYS  HN        47 LEU  QQD        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr2= 659, 660, 661, 663, 664, 665,
 /
#
#  46 CYS  HB3       47 LEU  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 644, 650, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  46 CYS  HB2       47 LEU  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 650, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  46 CYS  HA        47 LEU  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  46 CYS  HA        47 LEU  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 655, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  46 CYS  HA        47 LEU  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  47 LEU  HN        47 LEU  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 655, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  47 LEU  HN        47 LEU  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  47 LEU  HN        47 LEU  QQD        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 659, 660, 661, 663, 664, 665,
 /
#
#  47 LEU  HB3       47 LEU  HG         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 657, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  47 LEU  HA        47 LEU  QQD        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 659, 660, 661, 663, 664, 665,
 /
#
#  47 LEU  HB3       47 LEU  QQD        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 659, 660, 661, 663, 664, 665,
 /
#
#  47 LEU  HN        47 LEU  HG         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 657, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  47 LEU  HA        47 LEU  HG         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 657, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  47 LEU  HA        47 LEU  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  47 LEU  HA        47 LEU  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  47 LEU  HB2       47 LEU  QQD        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 659, 660, 661, 663, 664, 665,
 /
#
#  47 LEU  HN        47 LEU  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  47 LEU  HA        48 HIE  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 673, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  47 LEU  HA        48 HIE  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 674, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  47 LEU  QQD       55 GLU  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 790, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 659, 660, 661, 663, 664, 665,
 /
#
#  47 LEU  HA        55 GLU  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  47 LEU  HB3       55 GLU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  47 LEU  HB3       55 GLU  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  47 LEU  HB2       55 GLU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  47 LEU  HB2       55 GLU  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  48 HIE  HD2       37 LEU  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 531, 532, 533,
 /
#
#  48 HIE  HN        47 LEU  HA         2.50 ---> 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  48 HIE  HN        47 LEU  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 650, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  48 HIE  HN        47 LEU  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  48 HIE  HN        47 LEU  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 654, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  48 HIE  HN        47 LEU  HG         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  48 HIE  HN        47 LEU  QQD        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 659, 660, 661, 663, 664, 665,
 /
#
#  48 HIE  HA        47 LEU  QQD        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 659, 660, 661, 663, 664, 665,
 /
#
#  48 HIE  HA        47 LEU  HA         4.50  --> 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 652, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  48 HIE  HN        48 HIE  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 671, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  48 HIE  HN        48 HIE  HB2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 673, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  48 HIE  HA        48 HIE  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 674, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  48 HIE  HN        48 HIE  HB3        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 674, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  48 HIE  HD2       48 HIE  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  48 HIE  HD2       48 HIE  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 674, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  48 HIE  HA        48 HIE  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 673, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  48 HIE  HN        49 GLU  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 693, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  48 HIE  HN        49 GLU  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  48 HIE  HA        49 GLU  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 686, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  49 GLU  HG3       47 LEU  QQD        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 694,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 659, 660, 661, 663, 664, 665,
 /
#
#  49 GLU  HG3       47 LEU  HG         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  49 GLU  HG2       47 LEU  QQD        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 659, 660, 661, 663, 664, 665,
 /
#
#  49 GLU  HN        48 HIE  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  49 GLU  HN        48 HIE  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 674, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  49 GLU  HA        49 GLU  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 686, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  49 GLU  HN        49 GLU  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  49 GLU  HN        49 GLU  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 691, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  49 GLU  HG3       49 GLU  HG2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 693, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  49 GLU  HG2       49 GLU  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  49 GLU  HG3       49 GLU  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  49 GLU  HG3       49 GLU  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 691, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  49 GLU  HA        49 GLU  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 691, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  49 GLU  HA        49 GLU  HG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 693, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  49 GLU  HA        49 GLU  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  49 GLU  HG2       49 GLU  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 691, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  49 GLU  HA        49 GLU  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  49 GLU  HN        49 GLU  HG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 693, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  49 GLU  HN        49 GLU  HG3        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 694, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  49 GLU  HA        50 THR  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 701, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  49 GLU  HA        50 THR  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  49 GLU  HB2       51 ASP  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 717, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  49 GLU  HA        53 HD2  HD2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 759, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  50 THR  QG2       35 MET  QE         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 707, 708, 709,
 igr2= 505, 506, 507,
 /
#
#  50 THR  QG2       37 LEU  QD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 707, 708, 709,
 igr2= 535, 536, 537,
 /
#
#  50 THR  QG2       37 LEU  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 707, 708, 709,
 igr2= 531, 532, 533,
 /
#
#  50 THR  QG2       39 PHE  HZ         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 707, 708, 709,
 /
#
#  50 THR  QG2       48 HIE  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 707, 708, 709,
 /
#
#  50 THR  QG2       48 HIE  HD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 707, 708, 709,
 /
#
#  50 THR  QG2       48 HIE  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 707, 708, 709,
 /
#
#  50 THR  HN        49 GLU  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 691, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  50 THR  HN        49 GLU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 686, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  50 THR  HN        49 GLU  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 694, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  50 THR  QG2       49 GLU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 707, 708, 709,
 /
#
#  50 THR  QG2       49 GLU  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 707, 708, 709,
 /
#
#  50 THR  QG2       49 GLU  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 707, 708, 709,
 /
#
#  50 THR  QG2       49 GLU  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 707, 708, 709,
 /
#
#  50 THR  HN        49 GLU  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  50 THR  HN        49 GLU  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  50 THR  QG2       50 THR  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 707, 708, 709,
 /
#
#  50 THR  HN        50 THR  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  50 THR  QG2       50 THR  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 707, 708, 709,
 /
#
#  50 THR  HN        51 ASP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 715, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  50 THR  QG2       51 ASP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 707, 708, 709,
 /
#
#  50 THR  HN        52 ILE  HB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 731, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  50 THR  HN        52 ILE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 727, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  50 THR  QG2       52 ILE  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 707, 708, 709,
 /
#
#  50 THR  HN        53 HD2  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  50 THR  HN        53 HD2  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 746, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  50 THR  QG2       53 HD2  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 707, 708, 709,
 /
#
#  50 THR  QG2       53 HD2  HD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 707, 708, 709,
 /
#
#  50 THR  QG2       53 HD2  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 707, 708, 709,
 /
#
#  50 THR  QG2       53 HD2  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 707, 708, 709,
 /
#
#  50 THR  HN        54 LYS  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 770, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  50 THR  HN        54 LYS  HD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 773, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  50 THR  HN        54 LYS  HD3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 774, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  50 THR  HN        54 LYS  HE3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 777, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  51 ASP  HN        50 THR  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 703, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  51 ASP  HA        51 ASP  HB2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 719, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  51 ASP  HN        51 ASP  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 717, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  51 ASP  HN        51 ASP  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 719, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  51 ASP  HA        51 ASP  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 720, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  51 ASP  HN        51 ASP  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 720, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  51 ASP  HN        52 ILE  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 729, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  51 ASP  HN        52 ILE  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 740, 741, 742,
 /
#
#  51 ASP  HN        52 ILE  HG13       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 738, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  51 ASP  HN        52 ILE  HB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 731, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  51 ASP  HB2       52 ILE  HG12       6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 737, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  51 ASP  HB3       52 ILE  HG12       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  51 ASP  HB3       52 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 /
#
#  51 ASP  HB2       52 ILE  HG13       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 738, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  51 ASP  HB3       52 ILE  HG13       6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 738, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  51 ASP  HA        52 ILE  HG12       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  51 ASP  HB2       52 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 /
#
#  52 ILE  QD1       32 PRO  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 740, 741, 742,
 /
#
#  52 ILE  HG12      32 PRO  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 455, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  52 ILE  HG12      32 PRO  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  52 ILE  QG2       32 PRO  HG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 733, 734, 735,
 /
#
#  52 ILE  QD1       32 PRO  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 740, 741, 742,
 /
#
#  52 ILE  QG2       32 PRO  HG3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 733, 734, 735,
 /
#
#  52 ILE  HN        35 MET  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  52 ILE  HG12      35 MET  QE         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 505, 506, 507,
 /
#
#  52 ILE  QG2       35 MET  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 733, 734, 735,
 /
#
#  52 ILE  QG2       35 MET  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 733, 734, 735,
 /
#
#  52 ILE  HG13      35 MET  QE         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 505, 506, 507,
 /
#
#  52 ILE  QD1       35 MET  QE         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 740, 741, 742,
 igr2= 505, 506, 507,
 /
#
#  52 ILE  HN        35 MET  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 505, 506, 507,
 /
#
#  52 ILE  QG2       35 MET  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 733, 734, 735,
 /
#
#  52 ILE  HB        35 MET  QE         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 505, 506, 507,
 /
#
#  52 ILE  QG2       35 MET  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 733, 734, 735,
 /
#
#  52 ILE  HN        50 THR  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  52 ILE  HN        51 ASP  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 715, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  52 ILE  HN        51 ASP  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 717, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  52 ILE  HN        51 ASP  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 719, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  52 ILE  QG2       51 ASP  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 733, 734, 735,
 /
#
#  52 ILE  QG2       51 ASP  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 733, 734, 735,
 /
#
#  52 ILE  HA        51 ASP  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 719, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  52 ILE  HN        51 ASP  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 720, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  52 ILE  HN        52 ILE  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 729, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  52 ILE  HN        52 ILE  HB         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  52 ILE  HN        52 ILE  QD1        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 740, 741, 742,
 /
#
#  52 ILE  HN        52 ILE  HG12       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 737, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  52 ILE  HN        52 ILE  HG13       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 738, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  52 ILE  HB        52 ILE  HG13       3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  52 ILE  HA        52 ILE  HG12       3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 737, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  52 ILE  HA        52 ILE  HG13       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  52 ILE  QD1       52 ILE  HG13       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 740, 741, 742,
 /
#
#  52 ILE  QG2       52 ILE  QD1        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 733, 734, 735,
 igr2= 740, 741, 742,
 /
#
#  52 ILE  HB        52 ILE  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 740, 741, 742,
 /
#
#  52 ILE  QG2       52 ILE  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 733, 734, 735,
 /
#
#  52 ILE  HA        52 ILE  QD1        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 740, 741, 742,
 /
#
#  52 ILE  HN        52 ILE  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 733, 734, 735,
 /
#
#  52 ILE  QD1       52 ILE  HG12       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 737, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 740, 741, 742,
 /
#
#  52 ILE  QG2       52 ILE  HG13       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 733, 734, 735,
 /
#
#  52 ILE  HA        52 ILE  HB         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  52 ILE  HB        52 ILE  HG12       3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 737, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  52 ILE  QG2       52 ILE  HB         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 733, 734, 735,
 /
#
#  52 ILE  HN        54 LYS  HE3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 777, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  52 ILE  HN        54 LYS  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 771, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  52 ILE  QG2       54 LYS  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 733, 734, 735,
 /
#
#  53 HD2  HA        31 CY4  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 443, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  53 HD2  HN        35 MET  QE         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 505, 506, 507,
 /
#
#  53 HD2  HB3       35 MET  QE         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 505, 506, 507,
 /
#
#  53 HD2  HB2       35 MET  QE         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 505, 506, 507,
 /
#
#  53 HD2  HB2       37 LEU  HG         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  53 HD2  HD2       37 LEU  QD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 535, 536, 537,
 /
#
#  53 HD2  HB3       37 LEU  QD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 535, 536, 537,
 /
#
#  53 HD2  HB3       37 LEU  HG         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  53 HD2  HB2       37 LEU  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 531, 532, 533,
 /
#
#  53 HD2  HB3       37 LEU  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 531, 532, 533,
 /
#
#  53 HD2  HB2       37 LEU  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 527, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  53 HD2  HB2       37 LEU  QD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 535, 536, 537,
 /
#
#  53 HD2  HB2       37 LEU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  53 HD2  HB3       37 LEU  HB2        5.00 --> 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  53 HD2  HD2       48 HIE  HD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 682, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  53 HD2  HD2       48 HIE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  53 HD2  HD2       50 THR  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 701, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  53 HD2  HB3       50 THR  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 701, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  53 HD2  HN        50 THR  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  53 HD2  HB2       50 THR  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 701, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  53 HD2  HN        51 ASP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 715, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  53 HD2  HA        52 ILE  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  53 HD2  HB3       52 ILE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 727, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  53 HD2  HN        52 ILE  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 727, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  53 HD2  HN        52 ILE  HB         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 731, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  53 HD2  HN        52 ILE  HG12       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 737, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  53 HD2  HN        52 ILE  HG13       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  53 HD2  HN        52 ILE  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  53 HD2  HN        52 ILE  QG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 733, 734, 735,
 /
#
#  53 HD2  HA        52 ILE  QG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 733, 734, 735,
 /
#
#  53 HD2  HB3       52 ILE  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 /
#
#  53 HD2  HN        52 ILE  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 740, 741, 742,
 /
#
#  53 HD2  HB2       52 ILE  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  53 HD2  HB2       52 ILE  HB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 731, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  53 HD2  HB3       52 ILE  HB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 731, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  53 HD2  HB2       53 HD2  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 746, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  53 HD2  HD2       53 HD2  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 751, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  53 HD2  HA        53 HD2  HE1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 756, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  53 HD2  HD2       53 HD2  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  53 HD2  HB3       53 HD2  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 746, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  53 HD2  HB3       53 HD2  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  53 HD2  HB2       53 HD2  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  53 HD2  HN        53 HD2  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 748, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  53 HD2  HN        54 LYS  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 770, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  53 HD2  HN        54 LYS  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 771, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  53 HD2  HN        54 LYS  HE3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 777, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  53 HD2  HA        54 LYS  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 771, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  53 HD2  HA        54 LYS  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 770, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  54 LYS  HA        49 GLU  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 686, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  54 LYS  HD2       49 GLU  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 694, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  54 LYS  HD2       49 GLU  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HD3       49 GLU  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HG3       49 GLU  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 690, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  54 LYS  HG2       49 GLU  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 690, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  54 LYS  HB3       49 GLU  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 694, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HA        49 GLU  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 693, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  54 LYS  HA        49 GLU  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 694, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HB3       49 GLU  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HB2       49 GLU  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HE2       51 ASP  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 717, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  54 LYS  HE3       51 ASP  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 717, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HE2       52 ILE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HG3       52 ILE  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 729, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  54 LYS  HE3       52 ILE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HA        53 HD2  HD2        5.00 --> 5,5
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 759, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HD2       54 LYS  HE3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  54 LYS  HG2       54 LYS  HD3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HG3       54 LYS  HD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HG3       54 LYS  HE3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  54 LYS  HG2       54 LYS  HD2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 773, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  54 LYS  HG2       54 LYS  HE2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 776, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  54 LYS  HG2       54 LYS  HE3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 777, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HB3       54 LYS  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 771, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HB3       54 LYS  HG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  54 LYS  HG3       54 LYS  HE2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HD2       54 LYS  HE2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 776, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  54 LYS  HA        54 LYS  HD3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  54 LYS  HA        54 LYS  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HA        54 LYS  HD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HG3       54 LYS  HD3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HD3       54 LYS  HE2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HD3       54 LYS  HE3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  54 LYS  HB2       54 LYS  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 771, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HB3       54 LYS  HE3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 777, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HB3       54 LYS  HE2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 776, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  54 LYS  HB3       54 LYS  HD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HA        54 LYS  HG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  54 LYS  HB2       54 LYS  HD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HB3       54 LYS  HD3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HB2       54 LYS  HD3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HB3       54 LYS  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 765, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  54 LYS  HB2       54 LYS  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 765, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HA        54 LYS  HE3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 777, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  54 LYS  HB2       55 GLU  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 785, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  54 LYS  HB3       55 GLU  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  54 LYS  HA        55 GLU  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 790, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  54 LYS  HA        55 GLU  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  54 LYS  HG3       56 ASP  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 800, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  54 LYS  HB2       56 ASP  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HB3       56 ASP  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HG2       56 ASP  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 LYS  HB2       56 ASP  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 802, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  54 LYS  HB3       56 ASP  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 804, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  54 LYS  HB2       56 ASP  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 804, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  54 LYS  HA        56 ASP  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 800, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  54 LYS  HB2       57 HD2  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 812, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  54 LYS  HB3       57 HD2  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 768, 812, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  55 GLU  HA        47 LEU  QQD        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 659, 660, 661, 663, 664, 665,
 /
#
#  55 GLU  HN        47 LEU  QQD        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 659, 660, 661, 663, 664, 665,
 /
#
#  55 GLU  HB2       47 LEU  HG         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  55 GLU  HA        47 LEU  HG         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  55 GLU  HA        48 HIE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 669, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  55 GLU  HA        49 GLU  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  55 GLU  HN        49 GLU  HG3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 694, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  55 GLU  HA        49 GLU  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 694, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  55 GLU  HN        49 GLU  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 693, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  55 GLU  HN        54 LYS  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  55 GLU  HN        54 LYS  HD3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 774, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  55 GLU  HN        54 LYS  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 770, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  55 GLU  HN        54 LYS  HD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 773, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  55 GLU  HA        54 LYS  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  55 GLU  HN        55 GLU  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  55 GLU  HN        55 GLU  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 789, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  55 GLU  HA        55 GLU  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  55 GLU  QG        55 GLU  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 790, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 792, 793,
 /
#
#  55 GLU  QG        55 GLU  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 792, 793,
 /
#
#  55 GLU  HA        55 GLU  HB2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 789, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  55 GLU  HA        55 GLU  HB3        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 790, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  55 GLU  HN        55 GLU  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 793, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  55 GLU  HA        55 GLU  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 793, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  55 GLU  HN        55 GLU  HG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 792, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  55 GLU  HA        55 GLU  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  55 GLU  HN        56 ASP  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 800, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  55 GLU  HA        56 ASP  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  55 GLU  HA        56 ASP  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  55 GLU  HG3       56 ASP  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  55 GLU  HA        57 HD2  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 812, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  56 ASP  HN        47 LEU  QQD        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 659, 660, 661, 663, 664, 665,
 /
#
#  56 ASP  HN        54 LYS  HD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 773, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  56 ASP  HN        54 LYS  HD3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 774, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  56 ASP  HN        55 GLU  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 790, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  56 ASP  HN        55 GLU  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  56 ASP  HN        55 GLU  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  56 ASP  HN        55 GLU  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 793, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  56 ASP  HN        56 ASP  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 805, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  56 ASP  HN        56 ASP  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  56 ASP  HA        56 ASP  HB2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 802, 804, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  56 ASP  HA        56 ASP  HB3        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 802, 805, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  56 ASP  HN        56 ASP  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 802, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  57 HD2  HE1       28 CY4  HN         6.00 --> 6.5 --> 7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 402, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  57 HD2  HA        29 GLN  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 412, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  57 HD2  HE1       37 LEU  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 531, 532, 533,
 /
#
#  57 HD2  HD2       54 LYS  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 767, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  57 HD2  HD2       54 LYS  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  57 HD2  HN        55 GLU  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  57 HD2  HN        55 GLU  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  57 HD2  HN        55 GLU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  57 HD2  HD2       55 GLU  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  57 HD2  HD2       56 ASP  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 800, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  57 HD2  HB3       56 ASP  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 800, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  57 HD2  HB2       56 ASP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 800, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  57 HD2  HN        56 ASP  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 800, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  57 HD2  HN        56 ASP  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 805, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  57 HD2  HN        56 ASP  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 804, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  57 HD2  HA        56 ASP  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  57 HD2  HN        56 ASP  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 802, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  57 HD2  HB2       56 ASP  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 805, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  57 HD2  HB2       56 ASP  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 804, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  57 HD2  HD2       57 HD2  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 812, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  57 HD2  HN        57 HD2  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  57 HD2  HN        57 HD2  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 816, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  57 HD2  HN        57 HD2  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 814, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  57 HD2  HD2       57 HD2  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  57 HD2  HE1       57 HD2  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  57 HD2  HA        57 HD2  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  57 HD2  HD2       58 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  57 HD2  HN        59 LEU  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 812,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 855, 856, 857,
 /
#
#  57 HD2  HE1       59 LEU  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 855, 856, 857,
 /
#
#  58 GLN  HN        28 CY4  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  58 GLN  HN        29 GLN  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 412, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  58 GLN  HN        29 GLN  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  58 GLN  HN        30 ASP  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  58 GLN  HN        30 ASP  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 433, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  58 GLN  HN        30 ASP  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 434, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  58 GLN  HN        57 HD2  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  58 GLN  HN        57 HD2  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 816, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  58 GLN  HN        57 HD2  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  58 GLN  HN        57 HD2  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 812, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  58 GLN  HE22      58 GLN  HG3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 837, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  58 GLN  HE22      58 GLN  HG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 836, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  58 GLN  HE22      58 GLN  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  58 GLN  HN        58 GLN  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 837, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  58 GLN  HN        58 GLN  HG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 836, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  58 GLN  HN        58 GLN  QB         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 833, 834,
 /
#
#  58 GLN  HN        58 GLN  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 831, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  58 GLN  HG2       58 GLN  QB         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 833, 834,
 /
#
#  58 GLN  HG2       58 GLN  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  58 GLN  HG3       58 GLN  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 837, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  58 GLN  HN        59 LEU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  58 GLN  HN        59 LEU  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 855, 856, 857,
 /
#
#  59 LEU  QD1       26 TRP  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  HB3       26 TRP  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  59 LEU  QD1       26 TRP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  QD1       26 TRP  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  HB3       26 TRP  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  59 LEU  HB2       26 TRP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  59 LEU  HB2       26 TRP  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  59 LEU  HA        27 HIE  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  59 LEU  QD1       27 HIE  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  HB3       27 HIE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 385, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  59 LEU  QD1       27 HIE  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  HB2       27 HIE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  59 LEU  HA        28 CY4  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  59 LEU  QD1       28 CY4  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  QD1       29 GLN  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  HB3       29 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  59 LEU  HA        29 GLN  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 412, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  59 LEU  HA        29 GLN  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 417, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  59 LEU  HA        29 GLN  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  59 LEU  QD1       30 ASP  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  QD1       31 CY4  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  QD1       37 LEU  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  QD1       37 LEU  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  QD1       38 ASP  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  QD1       39 PHE  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  QD1       39 PHE  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  HB3       39 PHE  QD         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 561, 569,
 /
#
#  59 LEU  HB2       39 PHE  QD         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 561, 569,
 /
#
#  59 LEU  QD1       44 SER  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  QD1       53 HD2  HE1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  HN        57 HD2  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 816, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  59 LEU  QD1       57 HD2  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  QD1       57 HD2  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  HN        58 GLN  HA         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 831, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  59 LEU  QD1       58 GLN  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  QD1       58 GLN  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  HG        58 GLN  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  59 LEU  HN        58 GLN  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  59 LEU  HB3       58 GLN  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 831, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  59 LEU  HA        58 GLN  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  59 LEU  HB2       58 GLN  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 831, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  59 LEU  HN        58 GLN  QB         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 833, 834,
 /
#
#  59 LEU  HA        59 LEU  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 846, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  59 LEU  HN        59 LEU  HG         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 853, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  59 LEU  QD1       59 LEU  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  HB3       59 LEU  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  59 LEU  HB3       59 LEU  HG         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  59 LEU  QD1       59 LEU  HG         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  HB2       59 LEU  HG         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 853, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  59 LEU  HA        59 LEU  HG         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  59 LEU  HB2       59 LEU  QD1        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 855, 856, 857,
 /
#
#  59 LEU  HB3       59 LEU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  59 LEU  HB2       59 LEU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  59 LEU  QD1       59 LEU  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  HB2       59 LEU  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 846, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  59 LEU  HB3       59 LEU  QD1        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 855, 856, 857,
 /
#
#  59 LEU  QD1       60 GLU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 855, 856, 857,
 /
#
#  59 LEU  HB2       60 GLU  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 865, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  59 LEU  HB3       60 GLU  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  59 LEU  HA        60 GLU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 869, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  59 LEU  HA        60 GLU  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 865, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  59 LEU  HA        60 GLU  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  59 LEU  HA        60 GLU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  60 GLU  HN        27 HIE  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  60 GLU  HG3       27 HIE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  60 GLU  HN        27 HIE  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 387, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  60 GLU  HG2       29 GLN  HE22       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 425, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  60 GLU  HG2       29 GLN  HE21       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  60 GLU  HN        59 LEU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  60 GLU  HG2       59 LEU  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 848, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  60 GLU  HG2       60 GLU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  60 GLU  HN        60 GLU  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 870, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  60 GLU  HG3       60 GLU  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 869, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  60 GLU  HG2       60 GLU  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  60 GLU  HG2       60 GLU  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 869, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  60 GLU  HG3       60 GLU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  60 GLU  HN        60 GLU  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 869, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  60 GLU  HB2       60 GLU  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 869, 867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  60 GLU  HG3       60 GLU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  60 GLU  HG2       60 GLU  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  60 GLU  HN        60 GLU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  60 GLU  HG3       60 GLU  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 870, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  60 GLU  HB3       60 GLU  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  60 GLU  HG3       61 PRO  HD3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  60 GLU  HG3       61 PRO  HD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  60 GLU  HG2       61 PRO  HD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 881, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  60 GLU  HG2       61 PRO  HD3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  60 GLU  HG2       62 ILE  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 907, 908, 909,
 /
#
#  60 GLU  HG3       62 ILE  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 907, 908, 909,
 /
#
#  61 PRO  HA        25 ARG  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  61 PRO  HB2       25 ARG  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 337, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  61 PRO  HG2       26 TRP  HH2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 376, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  61 PRO  HG3       26 TRP  HZ3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  61 PRO  HB2       26 TRP  HH2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 376, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  61 PRO  HG2       26 TRP  HZ3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  61 PRO  HA        26 TRP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  61 PRO  HB2       26 TRP  HZ3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  61 PRO  HB3       26 TRP  HZ3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 378, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  61 PRO  HD3       27 HIE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  61 PRO  HA        27 HIE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 385, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  61 PRO  HD3       60 GLU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  61 PRO  HD2       60 GLU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  61 PRO  HG2       60 GLU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  61 PRO  HG3       60 GLU  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  61 PRO  HD2       60 GLU  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 867, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  61 PRO  HD2       60 GLU  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 870, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  61 PRO  HD3       60 GLU  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  61 PRO  HD2       60 GLU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 869, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  61 PRO  HA        60 GLU  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 867, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  61 PRO  HD3       60 GLU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 869, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  61 PRO  HG2       61 PRO  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  61 PRO  HG3       61 PRO  HD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 881, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  61 PRO  HB2       61 PRO  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 890, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  61 PRO  HG3       61 PRO  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  61 PRO  HG3       61 PRO  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 887, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  61 PRO  HG2       61 PRO  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  61 PRO  HG3       61 PRO  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  61 PRO  HB3       61 PRO  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 890, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  61 PRO  HG2       61 PRO  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 887, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  61 PRO  HB3       61 PRO  HD3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  61 PRO  HG2       61 PRO  HD2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 881, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  61 PRO  HG2       61 PRO  HD3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  61 PRO  HB2       61 PRO  HD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  61 PRO  HG3       61 PRO  HD3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  61 PRO  HB2       61 PRO  HD3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  61 PRO  HB3       61 PRO  HD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  61 PRO  HA        62 ILE  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 894, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  61 PRO  HG3       62 ILE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  61 PRO  HB3       62 ILE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 894, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  61 PRO  HB2       62 ILE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 894, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  61 PRO  HA        62 ILE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  61 PRO  HA        62 ILE  HB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 898, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  62 ILE  HN        25 ARG  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  62 ILE  HA        25 ARG  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  62 ILE  HG12      25 ARG  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  62 ILE  HG12      27 HIE  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  62 ILE  HG13      27 HIE  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 389, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  62 ILE  HG12      27 HIE  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 389, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  62 ILE  HG13      27 HIE  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  62 ILE  QD1       27 HIE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 907, 908, 909,
 /
#
#  62 ILE  HG12      27 HIE  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  62 ILE  HG13      27 HIE  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  62 ILE  HG13      60 GLU  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 865, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  62 ILE  HG13      60 GLU  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 872, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  62 ILE  QD1       60 GLU  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 907, 908, 909,
 /
#
#  62 ILE  HG12      60 GLU  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 872, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  62 ILE  QD1       60 GLU  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 870, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 907, 908, 909,
 /
#
#  62 ILE  HG13      60 GLU  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 869, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  62 ILE  QD1       60 GLU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 907, 908, 909,
 /
#
#  62 ILE  HG13      60 GLU  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 873, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  62 ILE  HG12      60 GLU  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 873, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  62 ILE  HG12      61 PRO  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 890, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  62 ILE  HG13      61 PRO  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 890, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  62 ILE  HA        62 ILE  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  62 ILE  HN        62 ILE  QG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 900, 901, 902,
 /
#
#  62 ILE  HN        62 ILE  QD1        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 907, 908, 909,
 /
#
#  62 ILE  HN        62 ILE  HB         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 898, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  62 ILE  HG13      62 ILE  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 894, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  62 ILE  HG12      62 ILE  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 894, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  62 ILE  HG13      62 ILE  QG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 900, 901, 902,
 /
#
#  62 ILE  HG12      62 ILE  QD1        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 904,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 907, 908, 909,
 /
#
#  62 ILE  HB        62 ILE  QG2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 900, 901, 902,
 /
#
#  62 ILE  HG13      62 ILE  QD1        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 907, 908, 909,
 /
#
#  62 ILE  HG12      62 ILE  QG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 904,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 900, 901, 902,
 /
#
#  62 ILE  QD1       62 ILE  QG2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 907, 908, 909,
 igr2= 900, 901, 902,
 /
#
#  62 ILE  HG12      62 ILE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  62 ILE  HA        62 ILE  QG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 900, 901, 902,
 /
#
#  62 ILE  HA        62 ILE  QD1        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 907, 908, 909,
 /
#
#  62 ILE  HG13      62 ILE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  62 ILE  HA        62 ILE  HB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 898, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  62 ILE  QD1       62 ILE  HB         3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 907, 908, 909,
 /
#
#  62 ILE  HG13      62 ILE  HB         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 898, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  62 ILE  HG12      62 ILE  HB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 898, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  62 ILE  HG13      63 TYR  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 913, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  62 ILE  HG12      63 TYR  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  62 ILE  HA        64 ARG  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 934, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  62 ILE  HN        64 ARG  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 934, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  62 ILE  QG2       64 ARG  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 900, 901, 902,
 /
#
#  62 ILE  QG2       64 ARG  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 900, 901, 902,
 /
#
#  62 ILE  QG2       64 ARG  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 900, 901, 902,
 /
#
#  62 ILE  QG2       64 ARG  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 900, 901, 902,
 /
#
#  62 ILE  QG2       64 ARG  HG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 900, 901, 902,
 /
#
#  62 ILE  QD1       64 ARG  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 907, 908, 909,
 /
#
#  63 TYR  QD         3 LEU  QQD        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 921, 930,
 igr2=  34,  35,  36,  38,  39,  40,
 /
#
#  63 TYR  HA         3 LEU  QD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  38,  39,  40,
 /
#
#  63 TYR  HB2        3 LEU  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  34,  35,  36,
 /
#
#  63 TYR  HB3        3 LEU  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  34,  35,  36,
 /
#
#  63 TYR  HA         3 LEU  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  30, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  63 TYR  HA         3 LEU  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  29, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  63 TYR  QE         6 VAL  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 928,
 igr2=  72,  73,  74,
 /
#
#  63 TYR  QD         6 VAL  QG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 921, 930,
 igr2=  72,  73,  74,
 /
#
#  63 TYR  QD        24 VAL  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 921, 930,
 /
#
#  63 TYR  QE        24 VAL  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 923, 928,
 /
#
#  63 TYR  QD        24 VAL  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 921, 930,
 igr2= 331, 332, 333,
 /
#
#  63 TYR  HA        24 VAL  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  63 TYR  QD        24 VAL  QG1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 921, 930,
 igr2= 327, 328, 329,
 /
#
#  63 TYR  QD        24 VAL  HB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 921, 930,
 /
#
#  63 TYR  QE        24 VAL  HB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 923, 928,
 /
#
#  63 TYR  HB3       25 ARG  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 337, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  63 TYR  HA        25 ARG  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  63 TYR  QE        61 PRO  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 923, 928,
 /
#
#  63 TYR  QD        61 PRO  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 921, 930,
 /
#
#  63 TYR  QE        61 PRO  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 923, 928,
 /
#
#  63 TYR  QE        61 PRO  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 928,
 /
#
#  63 TYR  QE        61 PRO  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 923, 928,
 /
#
#  63 TYR  HN        62 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 907, 908, 909,
 /
#
#  63 TYR  HA        62 ILE  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  63 TYR  QD        62 ILE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 921, 930,
 /
#
#  63 TYR  HN        62 ILE  HB         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 898, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  63 TYR  HN        62 ILE  QG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 900, 901, 902,
 /
#
#  63 TYR  QD        62 ILE  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 921, 930,
 /
#
#  63 TYR  HB3       62 ILE  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 900, 901, 902,
 /
#
#  63 TYR  HA        62 ILE  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 900, 901, 902,
 /
#
#  63 TYR  HN        62 ILE  HA         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 896, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  63 TYR  HB2       62 ILE  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 900, 901, 902,
 /
#
#  63 TYR  HB2       62 ILE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  63 TYR  HB3       62 ILE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  63 TYR  HB3       63 TYR  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 913, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  63 TYR  QE        63 TYR  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 923, 928,
 /
#
#  63 TYR  QD        63 TYR  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 921, 930,
 /
#
#  63 TYR  QE        63 TYR  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 923, 928,
 /
#
#  63 TYR  QD        63 TYR  HB3        2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 921, 930,
 /
#
#  63 TYR  QD        63 TYR  HB2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 921, 930,
 /
#
#  63 TYR  QD        63 TYR  QE         2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 921, 930,
 igr2= 923, 928,
 /
#
#  63 TYR  QE        63 TYR  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 923, 928,
 /
#
#  63 TYR  QE        63 TYR  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 928,
 /
#
#  63 TYR  HB2       63 TYR  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 915, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  63 TYR  HB3       63 TYR  HA         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 915, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  63 TYR  HA        63 TYR  HN         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 913, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  63 TYR  QD        63 TYR  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 921, 930,
 /
#
#  63 TYR  HB2       63 TYR  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 913, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  63 TYR  HN        64 ARG  HN         2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 934, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  /
#
#  63 TYR  HA        64 ARG  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 934, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  63 TYR  HB2       64 ARG  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 934, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  63 TYR  QD        64 ARG  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 921, 930,
 /
#
#  63 TYR  HN        64 ARG  HG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 941, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  63 TYR  HN        64 ARG  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 939, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  63 TYR  HB2       64 ARG  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  63 TYR  HB3       64 ARG  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 942, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  63 TYR  HB3       64 ARG  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  63 TYR  HA        64 ARG  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 941, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  64 ARG  HN        62 ILE  HB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 898, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  64 ARG  HN        62 ILE  QG2        2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 900, 901, 902,
 /
#
#  64 ARG  HN        64 ARG  HA         2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 936, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  /
#
#  64 ARG  HN        64 ARG  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  64 ARG  HN        64 ARG  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 942, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  64 ARG  HN        64 ARG  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 939, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  64 ARG  HG3       64 ARG  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 938, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  64 ARG  HG3       64 ARG  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 939, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  64 ARG  QD        64 ARG  HG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 944, 945,
 /
#
#  64 ARG  QD        64 ARG  HG3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 944, 945,
 /
#
#  64 ARG  QD        64 ARG  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 944, 945,
 /
#
#  64 ARG  HA        64 ARG  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 936, 938, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  64 ARG  HA        64 ARG  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 936, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  64 ARG  HG2       64 ARG  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 938, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  64 ARG  HN        64 ARG  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 938, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  64 ARG  HG2       64 ARG  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 939, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  64 ARG  HA        64 ARG  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 936, 939, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  64 ARG  HN        64 ARG  QD         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 944, 945,
 /
#
#  64 ARG  HA        64 ARG  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 936, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  64 ARG  QD        64 ARG  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 944, 945,
 /
# 1157 atoms read from pdb file zzz3_1.pdb.
# 7 GLN PHI:  (6 VAL C)-(7 GLN N)-(7 GLN CA)-(7 GLN C) -160.0 -60.0
 &rst     iat =    75,    77,    79,    92,
	  r1 = -161.0, r2 = -160.0, r3 = -60.0, r4 = -59.0,
	  rk2=50.0, rk3=50.0,				&end

# 7 GLN PSI:  (7 GLN N)-(7 GLN CA)-(7 GLN C)-(8 HIS N)  90.0 160.0
 &rst     iat =    77,    79,    92,    94,
	  r1 =  89.0, r2 =  90.0, r3 = 160.0, r4 = 161.0,
	&end

# 8 HIS PHI:  (7 GLN C)-(8 HIS N)-(8 HIS CA)-(8 HIS C) -170.0 -40.0
 &rst     iat =    92,    94,    96,   109,
	  r1 = -171.0, r2 = -170.0, r3 = -40.0, r4 = -39.0,
	&end

# 11 PHE PHI:  (10 GLY C)-(11 PHE N)-(11 PHE CA)-(11 PHE C) -170.0 -80.0
 &rst     iat =   132,   134,   136,   152,
	  r1 = -171.0, r2 = -170.0, r3 = -80.0, r4 = -79.0,
	&end

# 11 PHE PSI:  (11 PHE N)-(11 PHE CA)-(11 PHE C)-(12 LYS N) 100.0 180.0 --> 90
 &rst     iat =   134,   136,   152,   154,
	  r1 =  89.0, r2 = 90.0, r3 = 180.0, r4 = 181.0,
	&end

# 12 LYS PHI:  (11 PHE C)-(12 LYS N)-(12 LYS CA)-(12 LYS C) -170.0 -80.0
 &rst     iat =   152,   154,   156,   174,
	  r1 = -171.0, r2 = -170.0, r3 = -80.0, r4 = -79.0,
	&end

# 12 LYS PSI:  (12 LYS N)-(12 LYS CA)-(12 LYS C)-(13 CYS N) 110.0 180.0
 &rst     iat =   154,   156,   174,   176,
	  r1 = 109.0, r2 = 110.0, r3 = 180.0, r4 = 181.0,
	&end

# 13 CYS PHI:  (12 LYS C)-(13 CYS N)-(13 CYS CA)-(13 CYS C) -140.0 -50.0
 &rst     iat =   174,   176,   178,   184,
	  r1 = -141.0, r2 = -140.0, r3 = -50.0, r4 = -49.0,
	&end

# 13 CYS PSI:  (13 CYS N)-(13 CYS CA)-(13 CYS C)-(14 ASP N) 100.0 160.0
 &rst     iat =   176,   178,   184,   186,
	  r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
	&end

# 18 ILE PHI:  (17 GLY C)-(18 ILE N)-(18 ILE CA)-(18 ILE C) -100.0 -40.0
 &rst     iat =   227,   229,   231,   246,
	  r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
	&end

# 18 ILE PSI:  (18 ILE N)-(18 ILE CA)-(18 ILE C)-(19 GLU N)  90.0 180.0
 &rst     iat =   229,   231,   246,   248,
	  r1 =  89.0, r2 =  90.0, r3 = 180.0, r4 = 181.0,
	&end

# 19 GLU PHI:  (18 ILE C)-(19 GLU N)-(19 GLU CA)-(19 GLU C) -180.0 -60.0
 &rst     iat =   246,   248,   250,   261,
	  r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
	&end

# 21 ILE PSI:  (21 ILE N)-(21 ILE CA)-(21 ILE C)-(22 GLN N)  90.0 160.0
 &rst     iat =   277,   279,   294,   296,
	  r1 =  89.0, r2 =  90.0, r3 = 160.0, r4 = 161.0,
	&end

# 22 GLN PHI:  (21 ILE C)-(22 GLN N)-(22 GLN CA)-(22 GLN C) -160.0 -80.0
 &rst     iat =   294,   296,   298,   311,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 22 GLN PSI:  (22 GLN N)-(22 GLN CA)-(22 GLN C)-(23 GLY N) 100.0 170.0
 &rst     iat =   296,   298,   311,   313,
	  r1 =  99.0, r2 = 100.0, r3 = 170.0, r4 = 171.0,
	&end

# 24 VAL PHI:  (23 GLY C)-(24 VAL N)-(24 VAL CA)-(24 VAL C) -150.0 -60.0 --> -160
 &rst     iat =   318,   320,   322,   334,
	  r1 = -161.0, r2 = -160.0, r3 = -60.0, r4 = -59.0,
	&end

# 24 VAL PSI:  (24 VAL N)-(24 VAL CA)-(24 VAL C)-(25 ARG N) 100.0 180.0
 &rst     iat =   320,   322,   334,   336,
	  r1 =  99.0, r2 = 100.0, r3 = 180.0, r4 = 181.0,
	&end

# 25 ARG PHI:  (24 VAL C)-(25 ARG N)-(25 ARG CA)-(25 ARG C) -150.0 -70.0 --> -160
 &rst     iat =   334,   336,   338,   358,
	  r1 = -161.0, r2 = -160.0, r3 = -70.0, r4 = -69.0,
	&end

# 25 ARG PSI:  (25 ARG N)-(25 ARG CA)-(25 ARG C)-(26 TRP N)  90.0 160.0
 &rst     iat =   336,   338,   358,   360,
	  r1 =  89.0, r2 =  90.0, r3 = 160.0, r4 = 161.0,
	&end

# 26 TRP PHI:  (25 ARG C)-(26 TRP N)-(26 TRP CA)-(26 TRP C) -150.0 -90.0
 &rst     iat =   358,   360,   362,   382,
	  r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
	&end

# 26 TRP PSI:  (26 TRP N)-(26 TRP CA)-(26 TRP C)-(27 HIS N)  90.0 170.0
 &rst     iat =   360,   362,   382,   384,
	  r1 =  89.0, r2 =  90.0, r3 = 170.0, r4 = 171.0,
	&end

# 27 HIS PHI:  (26 TRP C)-(27 HIS N)-(27 HIS CA)-(27 HIS C) -160.0 -70.0
 &rst     iat =   382,   384,   386,   399,
	  r1 = -161.0, r2 = -160.0, r3 = -70.0, r4 = -69.0,
	&end

# 27 HIS PSI:  (27 HIS N)-(27 HIS CA)-(27 HIS C)-(28 CYS N)  90.0 160.0
 &rst     iat =   384,   386,   399,   401,
	  r1 =  89.0, r2 =  90.0, r3 = 160.0, r4 = 161.0,
	&end

# 28 CYS PHI:  (27 HIS C)-(28 CYS N)-(28 CYS CA)-(28 CYS C) -100.0 -40.0
 &rst     iat =   399,   401,   403,   409,
	  r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
	&end

# 28 CYS PSI:  (28 CYS N)-(28 CYS CA)-(28 CYS C)-(29 GLN N)  90.0 160.0
 &rst     iat =   401,   403,   409,   411,
	  r1 =  89.0, r2 =  90.0, r3 = 160.0, r4 = 161.0,
	&end

# 37 LEU PSI:  (37 LEU N)-(37 LEU CA)-(37 LEU C)-(38 ASP N) 100.0 160.0
 &rst     iat =   521,   523,   538,   540,
	  r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
	&end

# 38 ASP PHI:  (37 LEU C)-(38 ASP N)-(38 ASP CA)-(38 ASP C) -160.0 -90.0
 &rst     iat =   538,   540,   542,   550,
	  r1 = -161.0, r2 = -160.0, r3 = -90.0, r4 = -89.0,
	&end

# 38 ASP PSI:  (38 ASP N)-(38 ASP CA)-(38 ASP C)-(39 PHE N) 110.0 180.0
 &rst     iat =   540,   542,   550,   552,
	  r1 = 109.0, r2 = 110.0, r3 = 180.0, r4 = 181.0,
	&end

# 39 PHE PHI:  (38 ASP C)-(39 PHE N)-(39 PHE CA)-(39 PHE C) -160.0 -90.0
 &rst     iat =   550,   552,   554,   570,
	  r1 = -161.0, r2 = -160.0, r3 = -90.0, r4 = -89.0,
	&end

# 39 PHE PSI:  (39 PHE N)-(39 PHE CA)-(39 PHE C)-(40 CYS N) 110.0 180.0
 &rst     iat =   552,   554,   570,   572,
	  r1 = 109.0, r2 = 110.0, r3 = 180.0, r4 = 181.0,
	&end

# 40 CYS PHI:  (39 PHE C)-(40 CYS N)-(40 CYS CA)-(40 CYS C) -110.0 -40.0
 &rst     iat =   570,   572,   574,   580,
	  r1 = -111.0, r2 = -110.0, r3 = -40.0, r4 = -39.0,
	&end

# 40 CYS PSI:  (40 CYS N)-(40 CYS CA)-(40 CYS C)-(41 ASP N) 120.0 180.0
 &rst     iat =   572,   574,   580,   582,
	  r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
	&end

# 41 ASP PHI:  (40 CYS C)-(41 ASP N)-(41 ASP CA)-(41 ASP C) -80.0 -40.0
 &rst     iat =   580,   582,   584,   592,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end

# 41 ASP PSI:  (41 ASP N)-(41 ASP CA)-(41 ASP C)-(42 SER N) -70.0 -10.0
 &rst     iat =   582,   584,   592,   594,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end

# 42 SER PHI:  (41 ASP C)-(42 SER N)-(42 SER CA)-(42 SER C) -90.0 -40.0
 &rst     iat =   592,   594,   596,   603,
	  r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
	&end

# 42 SER PSI:  (42 SER N)-(42 SER CA)-(42 SER C)-(43 CYS N) -70.0 -10.0
 &rst     iat =   594,   596,   603,   605,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end

# 43 CYS PHI:  (42 SER C)-(43 CYS N)-(43 CYS CA)-(43 CYS C) -110.0 -40.0
 &rst     iat =   603,   605,   607,   613,
	  r1 = -111.0, r2 = -110.0, r3 = -40.0, r4 = -39.0,
	&end

# 43 CYS PSI:  (43 CYS N)-(43 CYS CA)-(43 CYS C)-(44 SER N) -70.0 -20.0
 &rst     iat =   605,   607,   613,   615,
	  r1 = -71.0, r2 = -70.0, r3 = -20.0, r4 = -19.0,
	&end

# 44 SER PHI:  (43 CYS C)-(44 SER N)-(44 SER CA)-(44 SER C) -100.0 -40.0
 &rst     iat =   613,   615,   617,   624,
	  r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
	&end

# 44 SER PSI:  (44 SER N)-(44 SER CA)-(44 SER C)-(45 ASP N) -60.0  10.0
 &rst     iat =   615,   617,   624,   626,
	  r1 = -61.0, r2 = -60.0, r3 =  10.0, r4 =  11.0,
	&end

# 45 ASP PHI:  (44 SER C)-(45 ASP N)-(45 ASP CA)-(45 ASP C) -120.0 -40.0
 &rst     iat =   624,   626,   628,   636,
	  r1 = -121.0, r2 = -120.0, r3 = -40.0, r4 = -39.0,
	&end

# 45 ASP PSI:  (45 ASP N)-(45 ASP CA)-(45 ASP C)-(46 CYS N) -50.0  20.0
 &rst     iat =   626,   628,   636,   638,
	  r1 = -51.0, r2 = -50.0, r3 =  20.0, r4 =  21.0,
	&end

# 48 HIS PSI:  (48 HIS N)-(48 HIS CA)-(48 HIS C)-(49 GLU N)  90.0 160.0
 &rst     iat =   668,   670,   683,   685,
	  r1 =  89.0, r2 =  90.0, r3 = 160.0, r4 = 161.0,
	&end

# 49 GLU PHI:  (48 HIS C)-(49 GLU N)-(49 GLU CA)-(49 GLU C) -150.0 -80.0
 &rst     iat =   683,   685,   687,   698,
	  r1 = -151.0, r2 = -150.0, r3 = -80.0, r4 = -79.0,
	&end

# 49 GLU PSI:  (49 GLU N)-(49 GLU CA)-(49 GLU C)-(50 THR N) 100.0 170.0
 &rst     iat =   685,   687,   698,   700,
	  r1 =  99.0, r2 = 100.0, r3 = 170.0, r4 = 171.0,
	&end

# 50 THR PHI:  (49 GLU C)-(50 THR N)-(50 THR CA)-(50 THR C) -180.0 -80.0
 &rst     iat =   698,   700,   702,   712,
	  r1 = -181.0, r2 = -180.0, r3 = -80.0, r4 = -79.0,
	&end

# 53 HIS PHI:  (52 ILE C)-(53 HIN N)-(53 HIN CA)-(53 HIN C) -140.0 -40.0
 &rst     iat =   743,   745,   747,   760,
	  r1 = -141.0, r2 = -140.0, r3 = -40.0, r4 = -39.0,
	&end

# 53 HIS PSI:  (53 HIN N)-(53 HIN CA)-(53 HIN C)-(54 LYS N)  80.0 170.0
 &rst     iat =   745,   747,   760,   762,
	  r1 =  79.0, r2 =  80.0, r3 = 170.0, r4 = 171.0,
	&end

# 54 LYS PHI:  (53 HD2 C)-(54 LYS N)-(54 LYS CA)-(54 LYS C) -170.0 -90.0
 &rst     iat =   760,   762,   764,   782,
	  r1 = -171.0, r2 = -170.0, r3 = -90.0, r4 = -89.0,
	&end

# 58 GLN PHI:  (57 HD2 C)-(58 GLN N)-(58 GLN CA)-(58 GLN C) -150.0 -60.0
 &rst     iat =   826,   828,   830,   843,
	  r1 = -151.0, r2 = -150.0, r3 = -60.0, r4 = -59.0,
	&end

# 58 GLN PSI:  (58 GLN N)-(58 GLN CA)-(58 GLN C)-(59 LEU N)  90.0 170.0
 &rst     iat =   828,   830,   843,   845,
	  r1 =  89.0, r2 =  90.0, r3 = 170.0, r4 = 171.0,
	&end

# 59 LEU PSI:  (59 LEU N)-(59 LEU CA)-(59 LEU C)-(60 GLU N) 100.0 170.0
 &rst     iat =   845,   847,   862,   864,
	  r1 =  99.0, r2 = 100.0, r3 = 170.0, r4 = 171.0,
	&end

# 60 GLU PHI:  (59 LEU C)-(60 GLU N)-(60 GLU CA)-(60 GLU C) -160.0 -70.0
 &rst     iat =   862,   864,   866,   877,
	  r1 = -161.0, r2 = -160.0, r3 = -70.0, r4 = -69.0,
	&end

# 60 GLU PSI:  (60 GLU N)-(60 GLU CA)-(60 GLU C)-(61 PRO N) 100.0 170.0
 &rst     iat =   864,   866,   877,   879,
	  r1 =  99.0, r2 = 100.0, r3 = 170.0, r4 = 171.0,
	&end

# 61 PRO PHI:  (60 GLU C)-(61 PRO N)-(61 PRO CA)-(61 PRO C) -100.0 -50.0
 &rst     iat =   877,   879,   889,   891,
	  r1 = -101.0, r2 = -100.0, r3 = -50.0, r4 = -49.0,
	&end

# 61 PRO PSI:  (61 PRO N)-(61 PRO CA)-(61 PRO C)-(62 ILE N) 100.0 170.0
 &rst     iat =   879,   889,   891,   893,
	  r1 =  99.0, r2 = 100.0, r3 = 170.0, r4 = 171.0,
	&end

#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2=150., rk3=150.,  &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=20,14,18,19, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=17,11,15,16, &end
#
#  chirality for residue 2 atoms:  CG N HD2 HD3
 &rst iat=14,10,12,13, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,22,21,17, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=26,31,29,30, &end
#
#  chirality for residue 3 atoms:  CB CD1 CD2 HG
 &rst iat=28,33,37,32, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=24,41,27,28, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=43,48,46,47, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=50,59,53,54, &end
#
#  chirality for residue 6 atoms:  CA CG1 CG2 HB
 &rst iat=63,67,71,66, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=61,75,64,65, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=79,84,82,83, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=81,87,85,86, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=77,92,80,81, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=96,101,99,100, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=94,109,97,98, &end
#
#  chirality for residue 9 atoms:  CA CG1 CG2 HB
 &rst iat=113,117,121,116, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=111,125,114,115, &end
#
#  chirality for residue 10 atoms:  N C HA2 HA3
 &rst iat=127,132,130,131, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=136,141,139,140, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=134,152,137,138, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=156,161,159,160, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=158,164,162,163, &end
#
#  chirality for residue 12 atoms:  CD NZ HE2 HE3
 &rst iat=164,170,168,169, &end
#
#  chirality for residue 12 atoms:  CG CE HD2 HD3
 &rst iat=161,167,165,166, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=154,174,157,158, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=188,193,191,192, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=186,196,189,190, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=200,205,203,204, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=198,210,201,202, &end
#
#  chirality for residue 17 atoms:  N C HA2 HA3
 &rst iat=222,227,225,226, &end
#
#  chirality for residue 18 atoms:  CA CG2 CG1 HB
 &rst iat=231,235,239,234, &end
#
#  chirality for residue 18 atoms:  CB CD1 HG12 HG13
 &rst iat=233,242,240,241, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=229,246,232,233, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=250,255,253,254, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=252,258,256,257, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=248,261,251,252, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=273,267,271,272, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=270,264,268,269, &end
#
#  chirality for residue 20 atoms:  CG N HD2 HD3
 &rst iat=267,263,265,266, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=263,275,274,270, &end
#
#  chirality for residue 21 atoms:  CA CG2 CG1 HB
 &rst iat=279,283,287,282, &end
#
#  chirality for residue 21 atoms:  CB CD1 HG12 HG13
 &rst iat=281,290,288,289, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=277,294,280,281, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=298,303,301,302, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=300,306,304,305, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=296,311,299,300, &end
#
#  chirality for residue 23 atoms:  N C HA2 HA3
 &rst iat=313,318,316,317, &end
#
#  chirality for residue 24 atoms:  CA CG1 CG2 HB
 &rst iat=322,326,330,325, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=320,334,323,324, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=338,343,341,342, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=340,346,344,345, &end
#
#  chirality for residue 25 atoms:  CG NE HD2 HD3
 &rst iat=343,349,347,348, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=336,358,339,340, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=362,367,365,366, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=360,382,363,364, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=386,391,389,390, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=384,399,387,388, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=413,418,416,417, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=415,421,419,420, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=411,426,414,415, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=430,435,433,434, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=428,438,431,432, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=460,454,458,459, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=457,451,455,456, &end
#
#  chirality for residue 32 atoms:  CG N HD2 HD3
 &rst iat=454,450,452,453, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=450,462,461,457, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=474,468,472,473, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=471,465,469,470, &end
#
#  chirality for residue 33 atoms:  CG N HD2 HD3
 &rst iat=468,464,466,467, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=464,476,475,471, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=480,485,483,484, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=482,488,486,487, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=478,491,481,482, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=495,500,498,499, &end
#
#  chirality for residue 35 atoms:  CB SD HG2 HG3
 &rst iat=497,503,501,502, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=493,508,496,497, &end
#
#  chirality for residue 36 atoms:  CA OG HB2 HB3
 &rst iat=512,517,515,516, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=510,519,513,514, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=523,528,526,527, &end
#
#  chirality for residue 37 atoms:  CB CD1 CD2 HG
 &rst iat=525,530,534,529, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=521,538,524,525, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=542,547,545,546, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=540,550,543,544, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=554,559,557,558, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=552,570,555,556, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=584,589,587,588, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=582,592,585,586, &end
#
#  chirality for residue 42 atoms:  CA OG HB2 HB3
 &rst iat=596,601,599,600, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=594,603,597,598, &end
#
#  chirality for residue 44 atoms:  CA OG HB2 HB3
 &rst iat=617,622,620,621, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=615,624,618,619, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=628,633,631,632, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=626,636,629,630, &end
#
#  chirality for residue 46 atoms:  CA SG HB2 HB3
 &rst iat=640,645,643,644, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=638,647,641,642, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=651,656,654,655, &end
#
#  chirality for residue 47 atoms:  CB CD1 CD2 HG
 &rst iat=653,658,662,657, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=649,666,652,653, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=670,675,673,674, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=668,683,671,672, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=687,692,690,691, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=689,695,693,694, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=685,698,688,689, &end
#
#  chirality for residue 50 atoms:  CA CG2 OG1 HB
 &rst iat=702,706,710,705, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=700,712,703,704, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=716,721,719,720, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=714,724,717,718, &end
#
#  chirality for residue 52 atoms:  CA CG2 CG1 HB
 &rst iat=728,732,736,731, &end
#
#  chirality for residue 52 atoms:  CB CD1 HG12 HG13
 &rst iat=730,739,737,738, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=726,743,729,730, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=764,769,767,768, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=766,772,770,771, &end
#
#  chirality for residue 54 atoms:  CD NZ HE2 HE3
 &rst iat=772,778,776,777, &end
#
#  chirality for residue 54 atoms:  CG CE HD2 HD3
 &rst iat=769,775,773,774, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=762,782,765,766, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=786,791,789,790, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=788,794,792,793, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=784,797,787,788, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=801,806,804,805, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=799,809,802,803, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=830,835,833,834, &end
#
#  chirality for residue 58 atoms:  CB CD HG2 HG3
 &rst iat=832,838,836,837, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=828,843,831,832, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=847,852,850,851, &end
#
#  chirality for residue 59 atoms:  CB CD1 CD2 HG
 &rst iat=849,854,858,853, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=845,862,848,849, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=866,871,869,870, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=868,874,872,873, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=864,877,867,868, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=889,883,887,888, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=886,880,884,885, &end
#
#  chirality for residue 61 atoms:  CG N HD2 HD3
 &rst iat=883,879,881,882, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=879,891,890,886, &end
#
#  chirality for residue 62 atoms:  CA CG2 CG1 HB
 &rst iat=895,899,903,898, &end
#
#  chirality for residue 62 atoms:  CB CD1 HG12 HG13
 &rst iat=897,906,904,905, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=893,910,896,897, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=914,919,917,918, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=912,931,915,916, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=935,940,938,939, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=937,943,941,942, &end
#
#  chirality for residue 64 atoms:  CG NE HD2 HD3
 &rst iat=940,946,944,945, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=933,955,936,937, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=958,968,963,964, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=972,977,975,976, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=974,980,978,979, &end
#
#  chirality for residue 66 atoms:  CG NE HD2 HD3
 &rst iat=977,983,981,982, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=970,992,973,974, &end
#
#  chirality for residue 67 atoms:  CA CG2 OG1 HB
 &rst iat=996,1000,1004,999, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=994,1006,997,998, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1036,1041,1039,1040, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1038,1044,1042,1043, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1034,1049,1037,1038, &end
#
#  chirality for residue 70 atoms:  CA CG2 OG1 HB
 &rst iat=1053,1057,1061,1056, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1051,1063,1054,1055, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1065,1073,1068,1069, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1077,1082,1080,1081, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1079,1085,1083,1084, &end
#
#  chirality for residue 72 atoms:  CG NE HD2 HD3
 &rst iat=1082,1088,1086,1087, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1075,1097,1078,1079, &end
#
#  trans-omega constraint for residue 2
 &rst iat=20,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2=150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=26,24,22,20, &end
#
#  trans-omega constraint for residue 4
 &rst iat=45,43,41,26, &end
#
#  trans-omega constraint for residue 5
 &rst iat=52,50,48,45, &end
#
#  trans-omega constraint for residue 6
 &rst iat=63,61,59,52, &end
#
#  trans-omega constraint for residue 7
 &rst iat=79,77,75,63, &end
#
#  trans-omega constraint for residue 8
 &rst iat=96,94,92,79, &end
#
#  trans-omega constraint for residue 9
 &rst iat=113,111,109,96, &end
#
#  trans-omega constraint for residue 10
 &rst iat=129,127,125,113, &end
#
#  trans-omega constraint for residue 11
 &rst iat=136,134,132,129, &end
#
#  trans-omega constraint for residue 12
 &rst iat=156,154,152,136, &end
#
#  trans-omega constraint for residue 13
 &rst iat=178,176,174,156, &end
#
#  trans-omega constraint for residue 14
 &rst iat=188,186,184,178, &end
#
#  trans-omega constraint for residue 15
 &rst iat=200,198,196,188, &end
#
#  trans-omega constraint for residue 16
 &rst iat=214,212,210,200, &end
#
#  trans-omega constraint for residue 17
 &rst iat=224,222,220,214, &end
#
#  trans-omega constraint for residue 18
 &rst iat=231,229,227,224, &end
#
#  trans-omega constraint for residue 19
 &rst iat=250,248,246,231, &end
#
#  trans-omega constraint for residue 20
 &rst iat=273,263,261,250, &end
#
#  trans-omega constraint for residue 21
 &rst iat=279,277,275,273, &end
#
#  trans-omega constraint for residue 22
 &rst iat=298,296,294,279, &end
#
#  trans-omega constraint for residue 23
 &rst iat=315,313,311,298, &end
#
#  trans-omega constraint for residue 24
 &rst iat=322,320,318,315, &end
#
#  trans-omega constraint for residue 25
 &rst iat=338,336,334,322, &end
#
#  trans-omega constraint for residue 26
 &rst iat=362,360,358,338, &end
#
#  trans-omega constraint for residue 27
 &rst iat=386,384,382,362, &end
#
#  trans-omega constraint for residue 28
 &rst iat=403,401,399,386, &end
#
#  trans-omega constraint for residue 29
 &rst iat=413,411,409,403, &end
#
#  trans-omega constraint for residue 30
 &rst iat=430,428,426,413, &end
#
#  trans-omega constraint for residue 31
 &rst iat=442,440,438,430, &end
#
#  trans-omega constraint for residue 32
 &rst iat=460,450,448,442, &end
#
#  trans-omega constraint for residue 33
 &rst iat=474,464,462,460, &end
#
#  trans-omega constraint for residue 34
 &rst iat=480,478,476,474, &end
#
#  trans-omega constraint for residue 35
 &rst iat=495,493,491,480, &end
#
#  trans-omega constraint for residue 36
 &rst iat=512,510,508,495, &end
#
#  trans-omega constraint for residue 37
 &rst iat=523,521,519,512, &end
#
#  trans-omega constraint for residue 38
 &rst iat=542,540,538,523, &end
#
#  trans-omega constraint for residue 39
 &rst iat=554,552,550,542, &end
#
#  trans-omega constraint for residue 40
 &rst iat=574,572,570,554, &end
#
#  trans-omega constraint for residue 41
 &rst iat=584,582,580,574, &end
#
#  trans-omega constraint for residue 42
 &rst iat=596,594,592,584, &end
#
#  trans-omega constraint for residue 43
 &rst iat=607,605,603,596, &end
#
#  trans-omega constraint for residue 44
 &rst iat=617,615,613,607, &end
#
#  trans-omega constraint for residue 45
 &rst iat=628,626,624,617, &end
#
#  trans-omega constraint for residue 46
 &rst iat=640,638,636,628, &end
#
#  trans-omega constraint for residue 47
 &rst iat=651,649,647,640, &end
#
#  trans-omega constraint for residue 48
 &rst iat=670,668,666,651, &end
#
#  trans-omega constraint for residue 49
 &rst iat=687,685,683,670, &end
#
#  trans-omega constraint for residue 50
 &rst iat=702,700,698,687, &end
#
#  trans-omega constraint for residue 51
 &rst iat=716,714,712,702, &end
#
#  trans-omega constraint for residue 52
 &rst iat=728,726,724,716, &end
#
#  trans-omega constraint for residue 53
 &rst iat=747,745,743,728, &end
#
#  trans-omega constraint for residue 54
 &rst iat=764,762,760,747, &end
#
#  trans-omega constraint for residue 55
 &rst iat=786,784,782,764, &end
#
#  trans-omega constraint for residue 56
 &rst iat=801,799,797,786, &end
#
#  trans-omega constraint for residue 57
 &rst iat=813,811,809,801, &end
#
#  trans-omega constraint for residue 58
 &rst iat=830,828,826,813, &end
#
#  trans-omega constraint for residue 59
 &rst iat=847,845,843,830, &end
#
#  trans-omega constraint for residue 60
 &rst iat=866,864,862,847, &end
#
#  trans-omega constraint for residue 61
 &rst iat=889,879,877,866, &end
#
#  trans-omega constraint for residue 62
 &rst iat=895,893,891,889, &end
#
#  trans-omega constraint for residue 63
 &rst iat=914,912,910,895, &end
#
#  trans-omega constraint for residue 64
 &rst iat=935,933,931,914, &end
#
#  trans-omega constraint for residue 65
 &rst iat=962,958,955,935, &end
#
#  trans-omega constraint for residue 66
 &rst iat=972,970,968,962, &end
#
#  trans-omega constraint for residue 67
 &rst iat=996,994,992,972, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1016,1017,1006,996, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1036,1034,1018,1016, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1053,1051,1049,1036, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1067,1065,1063,1053, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1077,1075,1073,1067, &end
#
#   8 HIS  HN      21 ILE  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 295, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
#  13 CYS  HN      18 ILE  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 247, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  18 ILE  O      13 CYS  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 176, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  21 ILE  O       8 HIS  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 295,  94, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  23 GLY  HN       6 VAL  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  76, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  23 GLY  O       6 VAL  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  61, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  25 ARG  HN      62 ILE  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 911, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  26 TRP  O      39 PHE  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 552, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  27 HIS  HN      60 GLU  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 878, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  28 CYS  HN      37 LEU  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 539, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  29 GLN  HN      58 GLN  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 844, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  37 LEU  O      28 CYS  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 401, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  39 PHE  HN      26 TRP  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 383, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  40 CYS  O      44 SER  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 615, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  44 SER  HN      40 CYS  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 581, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  50 THR  HN      53 HIS  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 760, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  53 HIS  O      50 THR  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 700, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  58 GLN  O      29 GLN  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 411, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  60 GLU  O      27 HIS  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 878, 384, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  62 ILE  O      25 ARG  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 336, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  65 ALA  O      12 LYS  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 154, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  12 LYS  HN     65 ALA  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 969, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  12 LYS  O      65 ALA  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 958, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
# Restraints file 2: rescrd_1
CDF  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY 811           H1       GLY   1  -7.753  29.946   1.297
    2    H2   GLY 811           H2       GLY   1  -6.878  29.601   2.635
    3    H3   GLY 811           H3       GLY   1  -7.919  28.489   2.036
    4    HA2  GLY 811           HA2      GLY   1  -6.612  28.266   0.005
    5    HA3  GLY 811           HA3      GLY   1  -5.483  29.462   0.669
    6    HA   PRO 812           HA       PRO   2  -3.833  25.255   1.699
    7    HB2  PRO 812           HB2      PRO   2  -1.297  26.786   1.137
    8    HB3  PRO 812           HB3      PRO   2  -1.722  25.090   0.734
    9    HG2  PRO 812           HG2      PRO   2  -1.839  27.017  -1.175
   10    HG3  PRO 812           HG3      PRO   2  -3.196  25.847  -1.035
   11    HD2  PRO 812           HD2      PRO   2  -3.014  28.651   0.127
   12    HD3  PRO 812           HD3      PRO   2  -4.324  27.917  -0.853
   13    H    LEU 813           H        LEU   3  -1.817  24.738   3.048
   14    HA   LEU 813           HA       LEU   3  -0.852  24.486   5.030
   15    HB2  LEU 813           HB2      LEU   3  -1.259  27.377   5.719
   16    HB3  LEU 813           HB3      LEU   3  -0.107  26.251   6.405
   17    HG   LEU 813           HG       LEU   3  -0.065  27.452   3.597
   18   HD11  LEU 813          HD11      LEU   3   2.005  28.508   4.417
   19   HD12  LEU 813          HD12      LEU   3   1.799  27.705   5.994
   20   HD13  LEU 813          HD13      LEU   3   0.630  28.931   5.457
   21   HD21  LEU 813          HD21      LEU   3   1.876  25.470   4.862
   22   HD22  LEU 813          HD22      LEU   3   2.128  26.333   3.331
   23   HD23  LEU 813          HD23      LEU   3   0.810  25.170   3.459
   24    H    GLY 814           H        GLY   4  -1.669  23.308   6.517
   25    HA2  GLY 814           HA2      GLY   4  -2.949  22.573   8.311
   26    HA3  GLY 814           HA3      GLY   4  -3.643  24.189   8.464
   27    H    SER 815           H        SER   5  -4.035  23.035   5.307
   28    HA   SER 815           HA       SER   5  -6.779  22.029   5.744
   29    HB2  SER 815           HB2      SER   5  -7.461  23.603   3.958
   30    HB3  SER 815           HB3      SER   5  -6.677  24.455   5.307
   31    HG   SER 815           HG       SER   5  -5.836  25.150   3.298
   32    H    VAL 816           H        VAL   6  -3.895  21.033   4.489
   33    HA   VAL 816           HA       VAL   6  -4.471  20.464   1.754
   34    HB   VAL 816           HB       VAL   6  -2.358  19.446   3.694
   35   HG11  VAL 816          HG11      VAL   6  -0.936  19.033   1.794
   36   HG12  VAL 816          HG12      VAL   6  -2.268  19.451   0.687
   37   HG13  VAL 816          HG13      VAL   6  -2.399  18.034   1.775
   38   HG21  VAL 816          HG21      VAL   6  -0.924  21.177   2.922
   39   HG22  VAL 816          HG22      VAL   6  -2.395  21.977   3.413
   40   HG23  VAL 816          HG23      VAL   6  -2.102  21.716   1.681
   41    H    GLN 817           H        GLN   7  -5.399  18.765   0.824
   42    HA   GLN 817           HA       GLN   7  -6.175  16.439   2.540
   43    HB2  GLN 817           HB2      GLN   7  -7.915  16.103   0.828
   44    HB3  GLN 817           HB3      GLN   7  -8.079  17.584   1.768
   45    HG2  GLN 817           HG2      GLN   7  -8.146  18.875  -0.027
   46    HG3  GLN 817           HG3      GLN   7  -6.619  18.273  -0.604
   47   HE21  GLN 817          HE21      GLN   7  -6.617  16.186  -1.786
   48   HE22  GLN 817          HE22      GLN   7  -7.989  15.861  -2.862
   49    H    HIS 818           H        HIS   8  -5.063  14.591   2.267
   50    HA   HIS 818           HA       HIS   8  -3.813  14.102  -0.409
   51    HB2  HIS 818           HB2      HIS   8  -2.764  13.910   2.330
   52    HB3  HIS 818           HB3      HIS   8  -2.440  12.521   1.315
   53    HD2  HIS 818           HD2      HIS   8  -1.310  16.034   1.836
   54    HE1  HIS 818           HE1      HIS   8   0.173  15.041  -2.028
   55    HE2  HIS 818           HE2      HIS   8   0.168  16.810  -0.227
   56    H    VAL 819           H        VAL   9  -5.963  13.506  -0.972
   57    HA   VAL 819           HA       VAL   9  -7.133  10.962  -0.414
   58    HB   VAL 819           HB       VAL   9  -7.173  12.701  -2.881
   59   HG11  VAL 819          HG11      VAL   9  -8.920  10.313  -2.136
   60   HG12  VAL 819          HG12      VAL   9  -7.774  10.378  -3.503
   61   HG13  VAL 819          HG13      VAL   9  -9.197  11.428  -3.492
   62   HG21  VAL 819          HG21      VAL   9  -9.435  13.275  -1.993
   63   HG22  VAL 819          HG22      VAL   9  -8.172  13.731  -0.849
   64   HG23  VAL 819          HG23      VAL   9  -9.127  12.258  -0.564
   65    H    GLY 820           H        GLY  10  -6.234   9.045  -0.572
   66    HA2  GLY 820           HA2      GLY  10  -5.065   7.313  -1.741
   67    HA3  GLY 820           HA3      GLY  10  -4.054   8.513  -2.542
   68    H    PHE 821           H        PHE  11  -4.173   9.457   0.723
   69    HA   PHE 821           HA       PHE  11  -1.964   7.590   1.521
   70    HB2  PHE 821           HB2      PHE  11  -1.899  10.564   1.954
   71    HB3  PHE 821           HB3      PHE  11  -0.654   9.396   2.319
   72    HD1  PHE 821           HD1      PHE  11   1.107   9.083   0.783
   73    HD2  PHE 821           HD2      PHE  11  -2.520  11.014  -0.474
   74    HE1  PHE 821           HE1      PHE  11   2.194   9.746  -1.366
   75    HE2  PHE 821           HE2      PHE  11  -1.421  11.765  -2.551
   76    HZ   PHE 821           HZ       PHE  11   0.942  11.209  -2.962
   77    H    LYS 822           H        LYS  12  -3.378   6.484   2.844
   78    HA   LYS 822           HA       LYS  12  -4.699   7.874   5.140
   79    HB2  LYS 822           HB2      LYS  12  -6.052   6.227   4.149
   80    HB3  LYS 822           HB3      LYS  12  -4.780   5.132   3.905
   81    HG2  LYS 822           HG2      LYS  12  -5.123   5.421   6.804
   82    HG3  LYS 822           HG3      LYS  12  -6.691   5.387   6.085
   83    HD2  LYS 822           HD2      LYS  12  -6.198   3.194   6.715
   84    HD3  LYS 822           HD3      LYS  12  -6.167   3.237   4.948
   85    HE2  LYS 822           HE2      LYS  12  -3.681   3.300   5.006
   86    HE3  LYS 822           HE3      LYS  12  -3.715   3.359   6.776
   87    HZ1  LYS 822           HZ1      LYS  12  -4.773   1.144   6.774
   88    HZ2  LYS 822           HZ2      LYS  12  -3.346   1.066   5.992
   89    HZ3  LYS 822           HZ3      LYS  12  -4.746   1.076   5.145
   90    H    CYS 823           H        CYS  13  -3.963   7.689   7.240
   91    HA   CYS 823           HA       CYS  13  -1.137   7.581   7.606
   92    HB2  CYS 823           HB2      CYS  13  -2.696   9.070   8.791
   93    HB3  CYS 823           HB3      CYS  13  -3.462   7.672   9.518
   94    H    ASP 824           H        ASP  14   0.051   6.335   8.924
   95    HA   ASP 824           HA       ASP  14  -0.654   3.427   9.161
   96    HB2  ASP 824           HB2      ASP  14   1.986   4.937   9.155
   97    HB3  ASP 824           HB3      ASP  14   1.839   3.245   9.605
   98    H    ASN 825           H        ASN  15   0.195   6.254  11.082
   99    HA   ASN 825           HA       ASN  15   0.686   4.849  13.552
  100    HB2  ASN 825           HB2      ASN  15   1.397   7.168  13.081
  101    HB3  ASN 825           HB3      ASN  15  -0.294   7.699  13.153
  102   HD21  ASN 825          HD21      ASN  15  -0.033   9.051  14.957
  103   HD22  ASN 825          HD22      ASN  15   0.344   8.385  16.556
  104    H    CYS 826           H        CYS  16  -2.234   6.736  12.564
  105    HA   CYS 826           HA       CYS  16  -3.775   5.307  14.640
  106    HB2  CYS 826           HB2      CYS  16  -4.984   7.274  14.945
  107    HB3  CYS 826           HB3      CYS  16  -3.307   7.801  14.807
  108    H    GLY 827           H        GLY  17  -3.556   5.516  11.230
  109    HA2  GLY 827           HA2      GLY  17  -4.527   4.063   9.756
  110    HA3  GLY 827           HA3      GLY  17  -5.712   3.583  10.944
  111    H    ILE 828           H        ILE  18  -5.534   6.997  10.742
  112    HA   ILE 828           HA       ILE  18  -8.127   7.237   9.725
  113    HB   ILE 828           HB       ILE  18  -7.142   8.870  11.218
  114   HG12  ILE 828          HG12      ILE  18  -7.799  10.278   8.605
  115   HG13  ILE 828          HG13      ILE  18  -9.021   9.467   9.542
  116   HG21  ILE 828          HG21      ILE  18  -4.812   8.928  10.278
  117   HG22  ILE 828          HG22      ILE  18  -5.527  10.511  10.480
  118   HG23  ILE 828          HG23      ILE  18  -5.403   9.796   8.868
  119   HD11  ILE 828          HD11      ILE  18  -7.353  11.828  10.483
  120   HD12  ILE 828          HD12      ILE  18  -8.496  10.925  11.502
  121   HD13  ILE 828          HD13      ILE  18  -9.078  11.814  10.081
  122    H    GLU 829           H        GLU  19  -8.952   7.792   7.838
  123    HA   GLU 829           HA       GLU  19  -7.789   7.066   5.377
  124    HB2  GLU 829           HB2      GLU  19  -9.727   8.708   4.602
  125    HB3  GLU 829           HB3      GLU  19 -10.014   7.050   5.029
  126    HG2  GLU 829           HG2      GLU  19 -10.832   7.751   7.255
  127    HG3  GLU 829           HG3      GLU  19 -10.327   9.416   6.937
  128    HA   PRO 830           HA       PRO  20  -5.525   9.959   3.060
  129    HB2  PRO 830           HB2      PRO  20  -8.270  11.203   2.761
  130    HB3  PRO 830           HB3      PRO  20  -6.935  11.041   1.576
  131    HG2  PRO 830           HG2      PRO  20  -9.073   9.294   2.016
  132    HG3  PRO 830           HG3      PRO  20  -7.650   8.940   0.991
  133    HD2  PRO 830           HD2      PRO  20  -8.162   7.562   3.304
  134    HD3  PRO 830           HD3      PRO  20  -6.535   7.834   2.637
  135    H    ILE 831           H        ILE  21  -4.225  10.859   4.529
  136    HA   ILE 831           HA       ILE  21  -4.808  12.353   6.747
  137    HB   ILE 831           HB       ILE  21  -2.366  12.401   4.960
  138   HG12  ILE 831          HG12      ILE  21  -2.672  11.084   7.693
  139   HG13  ILE 831          HG13      ILE  21  -3.219  10.256   6.256
  140   HG21  ILE 831          HG21      ILE  21  -2.231  14.482   6.231
  141   HG22  ILE 831          HG22      ILE  21  -1.107  13.333   6.952
  142   HG23  ILE 831          HG23      ILE  21  -2.662  13.638   7.730
  143   HD11  ILE 831          HD11      ILE  21  -1.033  10.339   5.236
  144   HD12  ILE 831          HD12      ILE  21  -0.926   9.611   6.854
  145   HD13  ILE 831          HD13      ILE  21  -0.378  11.268   6.599
  146    H    GLN 832           H        GLN  22  -5.100  14.346   7.420
  147    HA   GLN 832           HA       GLN  22  -5.578  16.418   5.325
  148    HB2  GLN 832           HB2      GLN  22  -6.981  16.097   7.993
  149    HB3  GLN 832           HB3      GLN  22  -7.293  17.323   6.759
  150    HG2  GLN 832           HG2      GLN  22  -7.681  14.332   6.294
  151    HG3  GLN 832           HG3      GLN  22  -8.936  15.418   6.829
  152   HE21  GLN 832          HE21      GLN  22  -7.951  13.906   4.105
  153   HE22  GLN 832          HE22      GLN  22  -8.617  15.066   2.950
  154    H    GLY 833           H        GLY  23  -4.717  18.377   5.541
  155    HA2  GLY 833           HA2      GLY  23  -4.167  20.294   6.982
  156    HA3  GLY 833           HA3      GLY  23  -3.376  19.214   8.079
  157    H    VAL 834           H        VAL  24  -1.704  17.828   7.062
  158    HA   VAL 834           HA       VAL  24  -0.017  18.803   4.918
  159    HB   VAL 834           HB       VAL  24   0.509  20.127   6.977
  160   HG11  VAL 834          HG11      VAL  24   1.603  19.202   8.876
  161   HG12  VAL 834          HG12      VAL  24   1.504  17.561   8.186
  162   HG13  VAL 834          HG13      VAL  24   0.014  18.437   8.651
  163   HG21  VAL 834          HG21      VAL  24   2.313  19.819   5.352
  164   HG22  VAL 834          HG22      VAL  24   2.749  18.255   6.099
  165   HG23  VAL 834          HG23      VAL  24   2.976  19.772   6.983
  166    H    ARG 835           H        ARG  25   1.056  16.922   4.059
  167    HA   ARG 835           HA       ARG  25   0.458  14.341   5.478
  168    HB2  ARG 835           HB2      ARG  25  -0.083  14.423   3.119
  169    HB3  ARG 835           HB3      ARG  25   1.587  14.819   2.695
  170    HG2  ARG 835           HG2      ARG  25   2.340  12.619   3.491
  171    HG3  ARG 835           HG3      ARG  25   0.715  12.265   4.113
  172    HD2  ARG 835           HD2      ARG  25   0.948  11.112   2.062
  173    HD3  ARG 835           HD3      ARG  25  -0.161  12.428   1.779
  174    HE   ARG 835           HE       ARG  25   1.333  13.391   0.291
  175   HH11  ARG 835          HH11      ARG  25   2.892  10.634   1.836
  176   HH12  ARG 835          HH12      ARG  25   4.253  10.688   0.750
  177   HH21  ARG 835          HH21      ARG  25   3.145  13.373  -1.078
  178   HH22  ARG 835          HH22      ARG  25   4.365  12.160  -0.857
  179    H    TRP 836           H        TRP  26   2.226  12.827   5.850
  180    HA   TRP 836           HA       TRP  26   4.897  14.146   6.092
  181    HB2  TRP 836           HB2      TRP  26   3.604  12.522   8.297
  182    HB3  TRP 836           HB3      TRP  26   5.290  12.811   8.142
  183    HD1  TRP 836           HD1      TRP  26   2.150  14.879   8.916
  184    HE1  TRP 836           HE1      TRP  26   2.953  17.077  10.043
  185    HE3  TRP 836           HE3      TRP  26   7.121  14.598   7.875
  186    HZ2  TRP 836           HZ2      TRP  26   5.453  18.265  10.785
  187    HZ3  TRP 836           HZ3      TRP  26   8.737  16.143   8.939
  188    HH2  TRP 836           HH2      TRP  26   7.933  17.946  10.438
  189    H    HIS 837           H        HIS  27   5.832  13.271   4.472
  190    HA   HIS 837           HA       HIS  27   5.396  10.454   3.644
  191    HB2  HIS 837           HB2      HIS  27   5.439  12.371   2.012
  192    HB3  HIS 837           HB3      HIS  27   7.083  12.719   2.480
  193    HD2  HIS 837           HD2      HIS  27   9.029  11.258   1.470
  194    HE1  HIS 837           HE1      HIS  27   6.648   8.574  -0.846
  195    HE2  HIS 837           HE2      HIS  27   9.028   9.338  -0.347
  196    H    CYS 838           H        CYS  28   6.547   8.942   4.727
  197    HA   CYS 838           HA       CYS  28   8.940   9.328   6.161
  198    HB2  CYS 838           HB2      CYS  28   7.445   7.055   4.934
  199    HB3  CYS 838           HB3      CYS  28   9.147   6.796   5.362
  200    H    GLN 839           H        GLN  29  11.008   9.705   5.601
  201    HA   GLN 839           HA       GLN  29  11.628  10.032   2.783
  202    HB2  GLN 839           HB2      GLN  29  13.318  10.460   5.266
  203    HB3  GLN 839           HB3      GLN  29  13.778  10.910   3.634
  204    HG2  GLN 839           HG2      GLN  29  11.410  12.176   3.654
  205    HG3  GLN 839           HG3      GLN  29  11.642  12.127   5.391
  206   HE21  GLN 839          HE21      GLN  29  11.928  14.427   5.681
  207   HE22  GLN 839          HE22      GLN  29  13.187  15.299   4.833
  208    H    ASP 840           H        ASP  30  12.519   7.677   5.268
  209    HA   ASP 840           HA       ASP  30  14.600   6.511   3.457
  210    HB2  ASP 840           HB2      ASP  30  15.234   7.290   5.715
  211    HB3  ASP 840           HB3      ASP  30  14.093   6.143   6.408
  212    H    CYS 841           H        CYS  31  11.561   5.676   5.115
  213    HA   CYS 841           HA       CYS  31  11.676   2.886   4.593
  214    HB2  CYS 841           HB2      CYS  31   9.188   4.602   4.943
  215    HB3  CYS 841           HB3      CYS  31   9.315   2.861   5.056
  216    HA   PRO 842           HA       PRO  32  11.544   2.836   0.299
  217    HB2  PRO 842           HB2      PRO  32  10.660   0.345  -0.392
  218    HB3  PRO 842           HB3      PRO  32  12.179   0.631   0.515
  219    HG2  PRO 842           HG2      PRO  32   9.448  -0.083   1.635
  220    HG3  PRO 842           HG3      PRO  32  11.024  -0.853   1.994
  221    HD2  PRO 842           HD2      PRO  32   9.956   1.082   3.602
  222    HD3  PRO 842           HD3      PRO  32  11.707   0.944   3.335
  223    HA   PRO 843           HA       PRO  33   7.708   4.160  -1.588
  224    HB2  PRO 843           HB2      PRO  33   8.722   2.608  -3.988
  225    HB3  PRO 843           HB3      PRO  33   7.985   4.238  -3.939
  226    HG2  PRO 843           HG2      PRO  33  10.661   4.007  -4.107
  227    HG3  PRO 843           HG3      PRO  33   9.967   5.162  -2.922
  228    HD2  PRO 843           HD2      PRO  33  11.011   2.361  -2.430
  229    HD3  PRO 843           HD3      PRO  33  11.302   3.869  -1.506
  230    H    GLU 844           H        GLU  34   8.571   0.726  -1.994
  231    HA   GLU 844           HA       GLU  34   6.045  -0.346  -2.642
  232    HB2  GLU 844           HB2      GLU  34   8.168  -1.565  -2.701
  233    HB3  GLU 844           HB3      GLU  34   8.271  -1.534  -0.937
  234    HG2  GLU 844           HG2      GLU  34   6.242  -2.910  -0.746
  235    HG3  GLU 844           HG3      GLU  34   6.013  -2.866  -2.495
  236    H    MET 845           H        MET  35   7.340   0.554   0.529
  237    HA   MET 845           HA       MET  35   4.854  -0.192   1.962
  238    HB2  MET 845           HB2      MET  35   7.445   1.101   2.870
  239    HB3  MET 845           HB3      MET  35   6.044   0.875   3.919
  240    HG2  MET 845           HG2      MET  35   7.433  -1.395   2.461
  241    HG3  MET 845           HG3      MET  35   7.802  -0.904   4.112
  242    HE1  MET 845           HE1      MET  35   5.013  -0.369   5.569
  243    HE2  MET 845           HE2      MET  35   6.358  -1.346   6.216
  244    HE3  MET 845           HE3      MET  35   4.707  -1.996   6.189
  245    H    SER 846           H        SER  36   6.610   2.762   1.084
  246    HA   SER 846           HA       SER  36   6.252   4.957   1.492
  247    HB2  SER 846           HB2      SER  36   5.477   4.551  -0.782
  248    HB3  SER 846           HB3      SER  36   3.814   4.382  -0.190
  249    HG   SER 846           HG       SER  36   4.388   6.551  -0.938
  250    H    LEU 847           H        LEU  37   6.085   4.965   3.650
  251    HA   LEU 847           HA       LEU  37   3.526   4.641   5.019
  252    HB2  LEU 847           HB2      LEU  37   6.406   5.007   5.856
  253    HB3  LEU 847           HB3      LEU  37   5.142   5.250   6.997
  254    HG   LEU 847           HG       LEU  37   4.762   2.715   5.437
  255   HD11  LEU 847          HD11      LEU  37   7.414   3.121   6.756
  256   HD12  LEU 847          HD12      LEU  37   7.053   2.755   5.058
  257   HD13  LEU 847          HD13      LEU  37   6.738   1.527   6.296
  258   HD21  LEU 847          HD21      LEU  37   5.318   1.993   8.074
  259   HD22  LEU 847          HD22      LEU  37   3.778   2.101   7.250
  260   HD23  LEU 847          HD23      LEU  37   4.339   3.506   8.150
  261    H    ASP 848           H        ASP  38   2.605   6.221   6.511
  262    HA   ASP 848           HA       ASP  38   3.357   9.000   6.010
  263    HB2  ASP 848           HB2      ASP  38   0.555   8.077   5.363
  264    HB3  ASP 848           HB3      ASP  38   1.170   9.728   5.368
  265    H    PHE 849           H        PHE  39   2.619  10.484   7.460
  266    HA   PHE 849           HA       PHE  39   0.878   9.546   9.689
  267    HB2  PHE 849           HB2      PHE  39   3.409  11.189  10.154
  268    HB3  PHE 849           HB3      PHE  39   2.256  10.608  11.308
  269    HD1  PHE 849           HD1      PHE  39   2.702   8.720  12.500
  270    HD2  PHE 849           HD2      PHE  39   4.705   9.227   8.713
  271    HE1  PHE 849           HE1      PHE  39   3.842   6.551  12.821
  272    HE2  PHE 849           HE2      PHE  39   5.879   7.169   9.069
  273    HZ   PHE 849           HZ       PHE  39   5.426   5.687  11.092
  274    H    CYS 850           H        CYS  40  -0.527  11.047  10.611
  275    HA   CYS 850           HA       CYS  40  -1.120  13.486   9.320
  276    HB2  CYS 850           HB2      CYS  40  -1.711  12.631  12.180
  277    HB3  CYS 850           HB3      CYS  40  -2.617  13.811  11.242
  278    H    ASP 851           H        ASP  41  -1.290  15.605  10.600
  279    HA   ASP 851           HA       ASP  41   1.203  16.773  11.087
  280    HB2  ASP 851           HB2      ASP  41   0.013  18.697  11.695
  281    HB3  ASP 851           HB3      ASP  41  -0.991  17.899  10.508
  282    H    SER 852           H        SER  42  -0.935  15.177  13.389
  283    HA   SER 852           HA       SER  42   0.746  15.833  15.702
  284    HB2  SER 852           HB2      SER  42  -1.706  15.811  15.913
  285    HB3  SER 852           HB3      SER  42  -1.726  14.090  15.470
  286    HG   SER 852           HG       SER  42  -1.769  14.448  17.770
  287    H    CYS 853           H        CYS  43  -0.009  12.995  13.659
  288    HA   CYS 853           HA       CYS  43   1.161  11.026  15.343
  289    HB2  CYS 853           HB2      CYS  43   0.354  11.156  12.443
  290    HB3  CYS 853           HB3      CYS  43   0.868   9.690  13.249
  291    H    SER 854           H        SER  44   2.410  13.101  12.811
  292    HA   SER 854           HA       SER  44   4.776  11.710  12.043
  293    HB2  SER 854           HB2      SER  44   5.456  13.879  11.208
  294    HB3  SER 854           HB3      SER  44   3.726  13.668  10.942
  295    HG   SER 854           HG       SER  44   4.226  15.744  11.841
  296    H    ASP 855           H        ASP  45   4.013  13.399  14.981
  297    HA   ASP 855           HA       ASP  45   6.789  13.629  15.878
  298    HB2  ASP 855           HB2      ASP  45   4.963  15.327  16.381
  299    HB3  ASP 855           HB3      ASP  45   4.236  14.123  17.448
  300    H    CYS 856           H        CYS  46   4.542  11.113  15.695
  301    HA   CYS 856           HA       CYS  46   4.877  10.010  18.338
  302    HB2  CYS 856           HB2      CYS  46   2.852   9.863  16.674
  303    HB3  CYS 856           HB3      CYS  46   3.752   8.548  15.915
  304    HG   CYS 856           HG       CYS  46   4.064   7.116  18.117
  305    H    LEU 857           H        LEU  47   6.706   9.734  15.483
  306    HA   LEU 857           HA       LEU  47   8.500   8.540  14.851
  307    HB2  LEU 857           HB2      LEU  47   9.222   9.988  16.731
  308    HB3  LEU 857           HB3      LEU  47   9.086   8.636  17.837
  309    HG   LEU 857           HG       LEU  47  10.905   7.446  16.828
  310   HD11  LEU 857          HD11      LEU  47  10.693   9.455  14.546
  311   HD12  LEU 857          HD12      LEU  47  10.543   7.671  14.477
  312   HD13  LEU 857          HD13      LEU  47  12.114   8.434  14.791
  313   HD21  LEU 857          HD21      LEU  47  11.632  10.402  16.836
  314   HD22  LEU 857          HD22      LEU  47  12.754   9.031  17.017
  315   HD23  LEU 857          HD23      LEU  47  11.542   9.347  18.267
  316    H    HIS 858           H        HIS  48   7.153   6.789  14.177
  317    HA   HIS 858           HA       HIS  48   6.986   4.457  15.959
  318    HB2  HIS 858           HB2      HIS  48   4.916   5.498  14.967
  319    HB3  HIS 858           HB3      HIS  48   5.526   5.047  13.369
  320    HD2  HIS 858           HD2      HIS  48   4.847   2.725  12.488
  321    HE1  HIS 858           HE1      HIS  48   3.531   0.924  16.132
  322    HE2  HIS 858           HE2      HIS  48   3.691   0.623  13.611
  323    H    GLU 859           H        GLU  49   7.148   2.320  15.166
  324    HA   GLU 859           HA       GLU  49   8.955   1.937  12.884
  325    HB2  GLU 859           HB2      GLU  49   9.599   0.545  15.491
  326    HB3  GLU 859           HB3      GLU  49  10.563   0.709  14.070
  327    HG2  GLU 859           HG2      GLU  49  10.736   3.200  14.529
  328    HG3  GLU 859           HG3      GLU  49   9.863   2.937  16.022
  329    H    THR 860           H        THR  50   8.779  -0.016  11.845
  330    HA   THR 860           HA       THR  50   6.842  -2.042  12.938
  331    HB   THR 860           HB       THR  50   5.777  -2.381  10.899
  332    HG1  THR 860           HG1      THR  50   6.413  -1.442   8.980
  333   HG21  THR 860          HG21      THR  50   4.789  -0.434  11.921
  334   HG22  THR 860          HG22      THR  50   4.865  -0.160  10.171
  335   HG23  THR 860          HG23      THR  50   6.004   0.658  11.256
  336    H    ASP 861           H        ASP  51   7.401  -3.609  10.391
  337    HA   ASP 861           HA       ASP  51   9.846  -4.980  11.184
  338    HB2  ASP 861           HB2      ASP  51   7.990  -5.323   8.870
  339    HB3  ASP 861           HB3      ASP  51   9.351  -6.372   9.222
  340    H    ILE 862           H        ILE  52   8.820  -2.583   8.865
  341    HA   ILE 862           HA       ILE  52  11.516  -2.450   7.667
  342    HB   ILE 862           HB       ILE  52   8.844  -1.768   6.471
  343   HG12  ILE 862          HG12      ILE  52  11.053  -3.826   5.929
  344   HG13  ILE 862          HG13      ILE  52   9.451  -4.181   6.585
  345   HG21  ILE 862          HG21      ILE  52  11.686  -1.274   5.498
  346   HG22  ILE 862          HG22      ILE  52  10.435  -0.045   5.798
  347   HG23  ILE 862          HG23      ILE  52  10.243  -1.165   4.460
  348   HD11  ILE 862          HD11      ILE  52   8.451  -3.351   4.461
  349   HD12  ILE 862          HD12      ILE  52   9.447  -4.821   4.325
  350   HD13  ILE 862          HD13      ILE  52  10.114  -3.268   3.793
  351    H    HIS 863           H        HIS  53   8.820  -0.614   9.069
  352    HA   HIS 863           HA       HIS  53  10.073   1.963   8.711
  353    HB2  HIS 863           HB2      HIS  53   7.920   2.070   8.527
  354    HB3  HIS 863           HB3      HIS  53   7.412   0.937   9.581
  355    HD1  HIS 863           HD1      HIS  53   5.612   2.974   9.945
  356    HD2  HIS 863           HD2      HIS  53   9.524   3.871  10.910
  357    HE1  HIS 863           HE1      HIS  53   6.232   5.032   8.615
  358    H    LYS 864           H        LYS  54  11.408   3.055  10.046
  359    HA   LYS 864           HA       LYS  54  11.811   2.096  12.830
  360    HB2  LYS 864           HB2      LYS  54  14.107   2.482  10.878
  361    HB3  LYS 864           HB3      LYS  54  14.203   2.050  12.555
  362    HG2  LYS 864           HG2      LYS  54  12.890   0.327  10.379
  363    HG3  LYS 864           HG3      LYS  54  14.485   0.082  10.987
  364    HD2  LYS 864           HD2      LYS  54  13.799  -0.714  13.076
  365    HD3  LYS 864           HD3      LYS  54  12.192  -0.105  12.932
  366    HE2  LYS 864           HE2      LYS  54  11.589  -1.671  11.219
  367    HE3  LYS 864           HE3      LYS  54  13.261  -2.129  10.940
  368    HZ1  LYS 864           HZ1      LYS  54  12.256  -3.830  12.269
  369    HZ2  LYS 864           HZ2      LYS  54  11.605  -2.772  13.325
  370    HZ3  LYS 864           HZ3      LYS  54  13.238  -3.028  13.300
  371    H    GLU 865           H        GLU  55  12.934   3.572  14.232
  372    HA   GLU 865           HA       GLU  55  12.461   6.353  13.649
  373    HB2  GLU 865           HB2      GLU  55  13.137   6.739  15.905
  374    HB3  GLU 865           HB3      GLU  55  12.119   5.312  15.872
  375    HG2  GLU 865           HG2      GLU  55  14.272   3.935  15.963
  376    HG3  GLU 865           HG3      GLU  55  15.172   5.432  16.099
  377    H    ASP 866           H        ASP  56  14.814   4.576  12.395
  378    HA   ASP 866           HA       ASP  56  17.239   5.894  13.065
  379    HB2  ASP 866           HB2      ASP  56  16.830   3.562  12.122
  380    HB3  ASP 866           HB3      ASP  56  16.652   4.367  10.571
  381    H    HIS 867           H        HIS  57  14.626   6.851  11.128
  382    HA   HIS 867           HA       HIS  57  16.202   8.391   9.157
  383    HB2  HIS 867           HB2      HIS  57  14.299   8.114   7.803
  384    HB3  HIS 867           HB3      HIS  57  14.809   6.596   8.456
  385    HD1  HIS 867           HD1      HIS  57  12.271   8.979  10.333
  386    HD2  HIS 867           HD2      HIS  57  12.691   5.406   8.194
  387    HE1  HIS 867           HE1      HIS  57   9.903   8.127   9.946
  388    H    GLN 868           H        GLN  58  13.974   9.799   8.277
  389    HA   GLN 868           HA       GLN  58  12.885  11.599  10.271
  390    HB2  GLN 868           HB2      GLN  58  13.540  13.648   9.109
  391    HB3  GLN 868           HB3      GLN  58  14.951  12.802   9.720
  392    HG2  GLN 868           HG2      GLN  58  14.034  12.594   6.813
  393    HG3  GLN 868           HG3      GLN  58  15.142  13.832   7.387
  394   HE21  GLN 868          HE21      GLN  58  17.209  12.938   8.532
  395   HE22  GLN 868          HE22      GLN  58  17.835  11.451   7.829
  396    H    LEU 869           H        LEU  59  11.113  12.916   9.356
  397    HA   LEU 869           HA       LEU  59   9.760  11.621   7.013
  398    HB2  LEU 869           HB2      LEU  59   8.621  13.375   9.227
  399    HB3  LEU 869           HB3      LEU  59   7.731  12.530   7.959
  400    HG   LEU 869           HG       LEU  59   7.330  11.530  10.029
  401   HD11  LEU 869          HD11      LEU  59   9.140   9.696   8.439
  402   HD12  LEU 869          HD12      LEU  59   7.438  10.066   8.050
  403   HD13  LEU 869          HD13      LEU  59   7.827   9.198   9.527
  404   HD21  LEU 869          HD21      LEU  59   8.800  10.462  11.503
  405   HD22  LEU 869          HD22      LEU  59   9.416  12.101  11.254
  406   HD23  LEU 869          HD23      LEU  59  10.198  10.709  10.455
  407    H    GLU 870           H        GLU  60   8.677  12.981   5.508
  408    HA   GLU 870           HA       GLU  60   9.734  15.788   5.355
  409    HB2  GLU 870           HB2      GLU  60  10.322  14.200   3.508
  410    HB3  GLU 870           HB3      GLU  60   8.626  14.011   3.197
  411    HG2  GLU 870           HG2      GLU  60   9.321  15.441   1.607
  412    HG3  GLU 870           HG3      GLU  60   8.531  16.528   2.746
  413    HA   PRO 871           HA       PRO  61   5.348  16.838   6.023
  414    HB2  PRO 871           HB2      PRO  61   5.581  19.527   6.345
  415    HB3  PRO 871           HB3      PRO  61   6.035  18.371   7.620
  416    HG2  PRO 871           HG2      PRO  61   7.847  19.798   5.669
  417    HG3  PRO 871           HG3      PRO  61   8.092  19.512   7.418
  418    HD2  PRO 871           HD2      PRO  61   9.193  17.964   5.385
  419    HD3  PRO 871           HD3      PRO  61   8.879  17.349   7.025
  420    H    ILE 872           H        ILE  62   3.780  17.366   4.482
  421    HA   ILE 872           HA       ILE  62   4.708  18.711   1.979
  422    HB   ILE 872           HB       ILE  62   2.584  16.622   1.994
  423   HG12  ILE 872          HG12      ILE  62   4.588  15.443   2.897
  424   HG13  ILE 872          HG13      ILE  62   4.088  14.850   1.339
  425   HG21  ILE 872          HG21      ILE  62   3.099  16.532  -0.411
  426   HG22  ILE 872          HG22      ILE  62   4.428  17.689  -0.194
  427   HG23  ILE 872          HG23      ILE  62   2.770  18.196   0.092
  428   HD11  ILE 872          HD11      ILE  62   5.881  15.944   0.196
  429   HD12  ILE 872          HD12      ILE  62   6.567  15.112   1.604
  430   HD13  ILE 872          HD13      ILE  62   6.316  16.870   1.646
  431    H    TYR 873           H        TYR  63   3.783  20.528   1.786
  432    HA   TYR 873           HA       TYR  63   1.452  21.297   3.380
  433    HB2  TYR 873           HB2      TYR  63   3.634  22.851   1.954
  434    HB3  TYR 873           HB3      TYR  63   2.309  23.600   2.811
  435    HD1  TYR 873           HD1      TYR  63   5.611  22.240   3.166
  436    HD2  TYR 873           HD2      TYR  63   1.928  22.941   5.310
  437    HE1  TYR 873           HE1      TYR  63   6.828  22.061   5.336
  438    HE2  TYR 873           HE2      TYR  63   3.139  22.758   7.462
  439    HH   TYR 873           HH       TYR  63   5.193  22.500   8.496
  440    H    ARG 874           H        ARG  64   1.464  19.850   0.683
  441    HA   ARG 874           HA       ARG  64  -0.720  21.254  -0.651
  442    HB2  ARG 874           HB2      ARG  64   0.527  21.494  -2.781
  443    HB3  ARG 874           HB3      ARG  64   1.178  22.501  -1.485
  444    HG2  ARG 874           HG2      ARG  64   2.950  20.677  -1.118
  445    HG3  ARG 874           HG3      ARG  64   2.362  19.920  -2.605
  446    HD2  ARG 874           HD2      ARG  64   3.319  22.775  -2.324
  447    HD3  ARG 874           HD3      ARG  64   4.347  21.422  -2.852
  448    HE   ARG 874           HE       ARG  64   2.156  21.383  -4.577
  449   HH11  ARG 874          HH11      ARG  64   4.694  23.710  -3.912
  450   HH12  ARG 874          HH12      ARG  64   4.607  24.393  -5.510
  451   HH21  ARG 874          HH21      ARG  64   2.084  22.322  -6.583
  452   HH22  ARG 874          HH22      ARG  64   3.167  23.628  -6.979
  453    H1   ALA   1           H1       ALA  65   1.072   6.104   3.950
  454    H2   ALA   1           H2       ALA  65   0.980   5.030   5.198
  455    H3   ALA   1           H3       ALA  65  -0.379   5.776   4.649
  456    HA   ALA   1           HA       ALA  65   1.266   3.875   3.158
  457    HB1  ALA   1           HB1      ALA  65  -0.699   2.376   3.259
  458    HB2  ALA   1           HB2      ALA  65  -1.491   3.517   4.381
  459    HB3  ALA   1           HB3      ALA  65   0.025   2.689   4.834
  460    H    ARG   2           H        ARG  66   1.316   4.319   1.137
  461    HA   ARG   2           HA       ARG  66  -0.481   5.879  -0.391
  462    HB2  ARG   2           HB2      ARG  66   0.765   5.258  -2.272
  463    HB3  ARG   2           HB3      ARG  66   1.874   5.394  -0.932
  464    HG2  ARG   2           HG2      ARG  66   1.047   2.955  -2.495
  465    HG3  ARG   2           HG3      ARG  66   2.652   3.556  -2.162
  466    HD2  ARG   2           HD2      ARG  66   2.532   2.779   0.162
  467    HD3  ARG   2           HD3      ARG  66   0.865   2.279  -0.030
  468    HE   ARG   2           HE       ARG  66   3.207   0.787  -0.780
  469   HH11  ARG   2          HH11      ARG  66  -0.197   1.191  -1.687
  470   HH12  ARG   2          HH12      ARG  66  -0.284  -0.451  -2.275
  471   HH21  ARG   2          HH21      ARG  66   2.993  -1.214  -1.474
  472   HH22  ARG   2          HH22      ARG  66   1.495  -1.799  -2.174
  473    H    THR   3           H        THR  67  -2.610   5.304   0.018
  474    HA   THR   3           HA       THR  67  -3.702   2.776  -1.117
  475    HB   THR   3           HB       THR  67  -5.898   3.843  -0.544
  476    HG1  THR   3           HG1      THR  67  -5.877   5.742   0.614
  477   HG21  THR   3          HG21      THR  67  -5.678   3.670   1.883
  478   HG22  THR   3          HG22      THR  67  -3.907   3.832   1.771
  479   HG23  THR   3          HG23      THR  67  -4.716   2.391   1.107
  480   HH31  ALY   4           H26      ALY  68  -1.264   8.739 -10.502
  481   HH32  ALY   4           H27      ALY  68  -2.690   9.801 -10.416
  482   HH33  ALY   4           H28      ALY  68  -2.805   8.113  -9.872
  483    HZ   ALY   4           HZ1      ALY  68  -3.707   9.646  -8.089
  484    HE3  ALY   4           HE3      ALY  68  -1.610  10.577  -6.171
  485    HE2  ALY   4           HE2      ALY  68  -3.320  11.016  -6.177
  486    HD3  ALY   4           HD3      ALY  68  -2.874   9.532  -4.334
  487    HD2  ALY   4           HD2      ALY  68  -3.932   8.710  -5.496
  488    HG3  ALY   4           HG3      ALY  68  -2.038   7.382  -6.331
  489    HG2  ALY   4           HG2      ALY  68  -0.904   8.341  -5.374
  490    HB3  ALY   4           HB3      ALY  68  -1.180   6.290  -4.220
  491    HB2  ALY   4           HB2      ALY  68  -1.960   7.548  -3.284
  492    HA   ALY   4           HA       ALY  68  -4.190   6.786  -4.231
  493    H    ALY   4           H        ALY  68  -2.768   5.860  -2.160
  494    H    GLN   5           H        GLN  69  -5.334   5.674  -5.714
  495    HA   GLN   5           HA       GLN  69  -4.340   3.281  -7.071
  496    HB2  GLN   5           HB2      GLN  69  -6.811   4.992  -7.569
  497    HB3  GLN   5           HB3      GLN  69  -6.478   3.437  -8.321
  498    HG2  GLN   5           HG2      GLN  69  -6.930   3.909  -5.335
  499    HG3  GLN   5           HG3      GLN  69  -8.075   3.213  -6.466
  500   HE21  GLN   5          HE21      GLN  69  -5.536   2.463  -4.267
  501   HE22  GLN   5          HE22      GLN  69  -5.372   0.770  -4.747
  502    H    THR   6           H        THR  70  -4.079   3.059  -9.365
  503    HA   THR   6           HA       THR  70  -3.785   5.385 -11.081
  504    HB   THR   6           HB       THR  70  -1.618   5.383  -9.837
  505    HG1  THR   6           HG1      THR  70  -1.528   6.257 -11.841
  506   HG21  THR   6          HG21      THR  70  -1.319   2.930  -9.538
  507   HG22  THR   6          HG22      THR  70   0.074   3.708 -10.299
  508   HG23  THR   6          HG23      THR  70  -1.056   2.761 -11.288
  509    H    ALA   7           H        ALA  71  -3.195   4.732 -13.349
  510    HA   ALA   7           HA       ALA  71  -4.840   2.515 -14.171
  511    HB1  ALA   7           HB1      ALA  71  -2.929   4.284 -15.748
  512    HB2  ALA   7           HB2      ALA  71  -4.654   4.603 -15.452
  513    HB3  ALA   7           HB3      ALA  71  -4.161   3.212 -16.438
  514    H    ARG   8           H        ARG  72  -4.280   0.677 -15.365
  515    HA   ARG   8           HA       ARG  72  -1.949  -0.813 -14.515
  516    HB2  ARG   8           HB2      ARG  72  -4.187  -1.813 -14.950
  517    HB3  ARG   8           HB3      ARG  72  -4.005  -1.458 -16.673
  518    HG2  ARG   8           HG2      ARG  72  -2.034  -2.950 -16.785
  519    HG3  ARG   8           HG3      ARG  72  -2.154  -3.248 -15.036
  520    HD2  ARG   8           HD2      ARG  72  -4.398  -4.237 -15.365
  521    HD3  ARG   8           HD3      ARG  72  -4.277  -3.941 -17.113
  522    HE   ARG   8           HE       ARG  72  -2.006  -5.439 -16.347
  523   HH11  ARG   8          HH11      ARG  72  -5.462  -5.972 -16.564
  524   HH12  ARG   8          HH12      ARG  72  -5.278  -7.688 -16.825
  525   HH21  ARG   8          HH21      ARG  72  -1.841  -7.633 -16.649
  526   HH22  ARG   8          HH22      ARG  72  -3.270  -8.598 -16.866
  Start of MODEL    2
    1    H1   GLY 811           H1       GLY   1  -3.781  24.474  -4.725
    2    H2   GLY 811           H2       GLY   1  -5.008  25.470  -4.284
    3    H3   GLY 811           H3       GLY   1  -5.326  24.064  -5.060
    4    HA2  GLY 811           HA2      GLY   1  -5.859  23.818  -2.709
    5    HA3  GLY 811           HA3      GLY   1  -4.552  22.747  -3.211
    6    HA   PRO 812           HA       PRO   2  -3.022  26.453  -0.385
    7    HB2  PRO 812           HB2      PRO   2  -4.838  25.622   1.880
    8    HB3  PRO 812           HB3      PRO   2  -4.206  27.246   1.472
    9    HG2  PRO 812           HG2      PRO   2  -6.739  26.586   0.815
   10    HG3  PRO 812           HG3      PRO   2  -5.709  27.449  -0.374
   11    HD2  PRO 812           HD2      PRO   2  -6.322  24.484  -0.226
   12    HD3  PRO 812           HD3      PRO   2  -6.349  25.582  -1.640
   13    H    LEU 813           H        LEU   3  -1.343  26.237   1.072
   14    HA   LEU 813           HA       LEU   3  -0.069  23.735   1.330
   15    HB2  LEU 813           HB2      LEU   3   0.381  26.457   2.614
   16    HB3  LEU 813           HB3      LEU   3   1.395  25.081   2.998
   17    HG   LEU 813           HG       LEU   3   2.095  24.849   0.651
   18   HD11  LEU 813          HD11      LEU   3   0.261  25.848  -0.610
   19   HD12  LEU 813          HD12      LEU   3   1.740  26.744  -0.925
   20   HD13  LEU 813          HD13      LEU   3   0.530  27.426   0.184
   21   HD21  LEU 813          HD21      LEU   3   3.534  26.835   0.636
   22   HD22  LEU 813          HD22      LEU   3   3.393  26.175   2.272
   23   HD23  LEU 813          HD23      LEU   3   2.478  27.629   1.825
   24    H    GLY 814           H        GLY   4  -2.348  25.200   3.545
   25    HA2  GLY 814           HA2      GLY   4  -1.805  23.194   5.678
   26    HA3  GLY 814           HA3      GLY   4  -2.856  24.600   5.792
   27    H    SER 815           H        SER   5  -3.408  22.892   2.891
   28    HA   SER 815           HA       SER   5  -5.713  21.375   3.932
   29    HB2  SER 815           HB2      SER   5  -5.884  23.452   1.728
   30    HB3  SER 815           HB3      SER   5  -7.222  22.476   2.349
   31    HG   SER 815           HG       SER   5  -7.073  23.576   4.330
   32    H    VAL 816           H        VAL   6  -3.058  20.742   2.591
   33    HA   VAL 816           HA       VAL   6  -3.330  20.063  -0.126
   34    HB   VAL 816           HB       VAL   6  -1.537  19.006   2.108
   35   HG11  VAL 816          HG11      VAL   6   0.121  18.556   0.450
   36   HG12  VAL 816          HG12      VAL   6  -1.000  19.048  -0.849
   37   HG13  VAL 816          HG13      VAL   6  -1.350  17.613   0.168
   38   HG21  VAL 816          HG21      VAL   6  -0.931  21.263   0.150
   39   HG22  VAL 816          HG22      VAL   6   0.032  20.707   1.554
   40   HG23  VAL 816          HG23      VAL   6  -1.476  21.529   1.816
   41    H    GLN 817           H        GLN   7  -4.140  18.384  -1.183
   42    HA   GLN 817           HA       GLN   7  -5.200  16.077   0.388
   43    HB2  GLN 817           HB2      GLN   7  -6.524  15.660  -1.631
   44    HB3  GLN 817           HB3      GLN   7  -6.879  17.185  -0.824
   45    HG2  GLN 817           HG2      GLN   7  -6.580  18.372  -2.659
   46    HG3  GLN 817           HG3      GLN   7  -4.951  17.765  -2.865
   47   HE21  GLN 817          HE21      GLN   7  -4.728  15.594  -3.898
   48   HE22  GLN 817          HE22      GLN   7  -5.836  15.224  -5.233
   49    H    HIS 818           H        HIS   8  -3.944  14.320   0.492
   50    HA   HIS 818           HA       HIS   8  -2.166  13.671  -1.832
   51    HB2  HIS 818           HB2      HIS   8  -1.798  13.554   1.091
   52    HB3  HIS 818           HB3      HIS   8  -1.311  12.108   0.238
   53    HD2  HIS 818           HD2      HIS   8  -0.267  15.696   0.710
   54    HE1  HIS 818           HE1      HIS   8   2.186  14.258  -2.455
   55    HE2  HIS 818           HE2      HIS   8   1.713  16.238  -0.963
   56    H    VAL 819           H        VAL   9  -4.205  13.058  -2.861
   57    HA   VAL 819           HA       VAL   9  -5.518  10.583  -2.295
   58    HB   VAL 819           HB       VAL   9  -5.170  12.080  -4.876
   59   HG11  VAL 819          HG11      VAL   9  -7.068  10.720  -5.711
   60   HG12  VAL 819          HG12      VAL   9  -6.975   9.697  -4.261
   61   HG13  VAL 819          HG13      VAL   9  -5.634   9.731  -5.436
   62   HG21  VAL 819          HG21      VAL   9  -7.484  11.766  -2.895
   63   HG22  VAL 819          HG22      VAL   9  -7.552  12.672  -4.424
   64   HG23  VAL 819          HG23      VAL   9  -6.510  13.235  -3.116
   65    H    GLY 820           H        GLY  10  -4.891   8.563  -2.425
   66    HA2  GLY 820           HA2      GLY  10  -3.622   6.726  -3.230
   67    HA3  GLY 820           HA3      GLY  10  -2.376   7.818  -3.821
   68    H    PHE 821           H        PHE  11  -2.908   9.040  -0.773
   69    HA   PHE 821           HA       PHE  11  -1.002   7.113   0.535
   70    HB2  PHE 821           HB2      PHE  11  -1.004  10.107   0.862
   71    HB3  PHE 821           HB3      PHE  11   0.155   8.953   1.482
   72    HD1  PHE 821           HD1      PHE  11   2.200   8.795   0.385
   73    HD2  PHE 821           HD2      PHE  11  -1.196  10.361  -1.734
   74    HE1  PHE 821           HE1      PHE  11   3.663   9.430  -1.549
   75    HE2  PHE 821           HE2      PHE  11   0.249  11.078  -3.581
   76    HZ   PHE 821           HZ       PHE  11   2.683  10.682  -3.469
   77    H    LYS 822           H        LYS  12  -2.509   6.067   1.682
   78    HA   LYS 822           HA       LYS  12  -4.347   7.419   3.626
   79    HB2  LYS 822           HB2      LYS  12  -5.454   5.766   2.647
   80    HB3  LYS 822           HB3      LYS  12  -4.113   4.826   2.248
   81    HG2  LYS 822           HG2      LYS  12  -4.940   4.927   5.205
   82    HG3  LYS 822           HG3      LYS  12  -5.952   4.122   4.049
   83    HD2  LYS 822           HD2      LYS  12  -4.042   2.728   3.263
   84    HD3  LYS 822           HD3      LYS  12  -2.967   3.654   4.320
   85    HE2  LYS 822           HE2      LYS  12  -3.320   1.546   5.272
   86    HE3  LYS 822           HE3      LYS  12  -4.040   2.794   6.296
   87    HZ1  LYS 822           HZ1      LYS  12  -5.581   1.042   4.411
   88    HZ2  LYS 822           HZ2      LYS  12  -6.253   2.141   5.432
   89    HZ3  LYS 822           HZ3      LYS  12  -5.509   0.816   6.023
   90    H    CYS 823           H        CYS  13  -3.925   7.345   5.839
   91    HA   CYS 823           HA       CYS  13  -1.167   7.269   6.679
   92    HB2  CYS 823           HB2      CYS  13  -2.635   8.938   7.538
   93    HB3  CYS 823           HB3      CYS  13  -3.837   7.739   7.973
   94    H    ASP 824           H        ASP  14  -0.332   6.120   8.408
   95    HA   ASP 824           HA       ASP  14  -1.147   3.255   8.674
   96    HB2  ASP 824           HB2      ASP  14   1.507   4.678   9.060
   97    HB3  ASP 824           HB3      ASP  14   1.215   2.990   9.441
   98    H    ASN 825           H        ASN  15  -0.583   6.200  10.594
   99    HA   ASN 825           HA       ASN  15  -0.637   4.868  13.193
  100    HB2  ASN 825           HB2      ASN  15   0.245   7.149  12.872
  101    HB3  ASN 825           HB3      ASN  15  -1.367   7.714  12.402
  102   HD21  ASN 825          HD21      ASN  15  -2.895   8.087  14.007
  103   HD22  ASN 825          HD22      ASN  15  -2.464   8.033  15.722
  104    H    CYS 826           H        CYS  16  -3.104   6.672  11.306
  105    HA   CYS 826           HA       CYS  16  -5.233   5.806  13.088
  106    HB2  CYS 826           HB2      CYS  16  -5.313   7.634  10.675
  107    HB3  CYS 826           HB3      CYS  16  -6.461   7.595  12.007
  108    H    GLY 827           H        GLY  17  -4.227   5.288   9.754
  109    HA2  GLY 827           HA2      GLY  17  -4.889   3.727   8.286
  110    HA3  GLY 827           HA3      GLY  17  -6.204   3.196   9.303
  111    H    ILE 828           H        ILE  18  -6.111   6.639   9.046
  112    HA   ILE 828           HA       ILE  18  -8.535   6.811   7.604
  113    HB   ILE 828           HB       ILE  18  -7.884   8.528   9.152
  114   HG12  ILE 828          HG12      ILE  18  -7.842   9.768   6.354
  115   HG13  ILE 828          HG13      ILE  18  -9.284   9.104   7.054
  116   HG21  ILE 828          HG21      ILE  18  -6.112  10.131   8.706
  117   HG22  ILE 828          HG22      ILE  18  -5.599   9.247   7.262
  118   HG23  ILE 828          HG23      ILE  18  -5.438   8.534   8.873
  119   HD11  ILE 828          HD11      ILE  18  -7.761  11.501   8.109
  120   HD12  ILE 828          HD12      ILE  18  -9.113  10.708   8.968
  121   HD13  ILE 828          HD13      ILE  18  -9.368  11.452   7.374
  122    H    GLU 829           H        GLU  19  -8.928   7.250   5.562
  123    HA   GLU 829           HA       GLU  19  -7.269   6.334   3.457
  124    HB2  GLU 829           HB2      GLU  19  -9.446   8.209   2.856
  125    HB3  GLU 829           HB3      GLU  19  -9.049   6.664   2.122
  126    HG2  GLU 829           HG2      GLU  19 -11.081   6.175   3.001
  127    HG3  GLU 829           HG3      GLU  19  -9.985   5.522   4.207
  128    HA   PRO 830           HA       PRO  20  -4.900   9.390   1.499
  129    HB2  PRO 830           HB2      PRO  20  -7.317  10.818   0.375
  130    HB3  PRO 830           HB3      PRO  20  -5.654  10.766  -0.276
  131    HG2  PRO 830           HG2      PRO  20  -7.450   9.011  -1.157
  132    HG3  PRO 830           HG3      PRO  20  -5.813   8.421  -0.709
  133    HD2  PRO 830           HD2      PRO  20  -8.389   8.253   0.816
  134    HD3  PRO 830           HD3      PRO  20  -7.021   7.097   0.786
  135    H    ILE 831           H        ILE  21  -3.799  10.588   2.813
  136    HA   ILE 831           HA       ILE  21  -4.818  12.092   4.929
  137    HB   ILE 831           HB       ILE  21  -2.094  12.068   3.593
  138   HG12  ILE 831          HG12      ILE  21  -2.903  10.878   6.286
  139   HG13  ILE 831          HG13      ILE  21  -3.099   9.974   4.811
  140   HG21  ILE 831          HG21      ILE  21  -2.184  14.212   4.747
  141   HG22  ILE 831          HG22      ILE  21  -1.212  13.121   5.719
  142   HG23  ILE 831          HG23      ILE  21  -2.878  13.453   6.193
  143   HD11  ILE 831          HD11      ILE  21  -0.735  10.128   4.273
  144   HD12  ILE 831          HD12      ILE  21  -0.994   9.389   5.870
  145   HD13  ILE 831          HD13      ILE  21  -0.434  11.056   5.758
  146    H    GLN 832           H        GLN  22  -5.221  14.127   5.418
  147    HA   GLN 832           HA       GLN  22  -5.207  16.103   3.184
  148    HB2  GLN 832           HB2      GLN  22  -7.082  15.987   5.568
  149    HB3  GLN 832           HB3      GLN  22  -7.139  17.111   4.211
  150    HG2  GLN 832           HG2      GLN  22  -7.576  14.100   4.009
  151    HG3  GLN 832           HG3      GLN  22  -8.833  15.312   4.052
  152   HE21  GLN 832          HE21      GLN  22  -7.443  13.324   1.903
  153   HE22  GLN 832          HE22      GLN  22  -7.651  14.327   0.463
  154    H    GLY 833           H        GLY  23  -4.427  18.092   3.484
  155    HA2  GLY 833           HA2      GLY  23  -4.083  20.061   4.900
  156    HA3  GLY 833           HA3      GLY  23  -3.550  19.022   6.178
  157    H    VAL 834           H        VAL  24  -1.747  17.548   5.591
  158    HA   VAL 834           HA       VAL  24   0.385  18.420   3.839
  159    HB   VAL 834           HB       VAL  24   0.466  19.857   5.891
  160   HG11  VAL 834          HG11      VAL  24   1.162  17.347   7.404
  161   HG12  VAL 834          HG12      VAL  24  -0.391  18.231   7.489
  162   HG13  VAL 834          HG13      VAL  24   1.108  19.016   8.026
  163   HG21  VAL 834          HG21      VAL  24   2.814  17.936   5.589
  164   HG22  VAL 834          HG22      VAL  24   2.867  19.476   6.462
  165   HG23  VAL 834          HG23      VAL  24   2.573  19.480   4.722
  166    H    ARG 835           H        ARG  25   1.612  16.512   3.343
  167    HA   ARG 835           HA       ARG  25   0.748  14.024   4.801
  168    HB2  ARG 835           HB2      ARG  25   0.675  13.945   2.352
  169    HB3  ARG 835           HB3      ARG  25   2.418  14.258   2.271
  170    HG2  ARG 835           HG2      ARG  25   2.889  12.119   3.373
  171    HG3  ARG 835           HG3      ARG  25   1.162  11.878   3.711
  172    HD2  ARG 835           HD2      ARG  25   1.775  10.513   1.858
  173    HD3  ARG 835           HD3      ARG  25   0.735  11.790   1.266
  174    HE   ARG 835           HE       ARG  25   2.454  12.637  -0.012
  175   HH11  ARG 835          HH11      ARG  25   3.773  10.022   1.957
  176   HH12  ARG 835          HH12      ARG  25   5.336  10.133   1.170
  177   HH21  ARG 835          HH21      ARG  25   4.496  12.717  -0.930
  178   HH22  ARG 835          HH22      ARG  25   5.713  11.587  -0.440
  179    H    TRP 836           H        TRP  26   2.423  12.549   5.520
  180    HA   TRP 836           HA       TRP  26   4.995  13.889   6.220
  181    HB2  TRP 836           HB2      TRP  26   3.237  12.366   8.158
  182    HB3  TRP 836           HB3      TRP  26   4.921  12.615   8.381
  183    HD1  TRP 836           HD1      TRP  26   1.736  14.714   8.367
  184    HE1  TRP 836           HE1      TRP  26   2.280  16.964   9.549
  185    HE3  TRP 836           HE3      TRP  26   6.798  14.378   8.473
  186    HZ2  TRP 836           HZ2      TRP  26   4.584  18.232  10.688
  187    HZ3  TRP 836           HZ3      TRP  26   8.166  16.001   9.737
  188    HH2  TRP 836           HH2      TRP  26   7.075  17.904  10.903
  189    H    HIS 837           H        HIS  27   6.273  12.908   4.906
  190    HA   HIS 837           HA       HIS  27   5.903  10.043   4.129
  191    HB2  HIS 837           HB2      HIS  27   6.286  11.828   2.405
  192    HB3  HIS 837           HB3      HIS  27   7.769  12.271   3.188
  193    HD2  HIS 837           HD2      HIS  27   9.940  11.005   2.584
  194    HE1  HIS 837           HE1      HIS  27   8.296   7.973   0.101
  195    HE2  HIS 837           HE2      HIS  27  10.439   9.027   0.924
  196    H    CYS 838           H        CYS  28   6.813   8.583   5.447
  197    HA   CYS 838           HA       CYS  28   8.955   9.023   7.241
  198    HB2  CYS 838           HB2      CYS  28   7.601   6.708   5.933
  199    HB3  CYS 838           HB3      CYS  28   9.207   6.448   6.659
  200    H    GLN 839           H        GLN  29  11.080   9.360   6.981
  201    HA   GLN 839           HA       GLN  29  12.145   9.509   4.288
  202    HB2  GLN 839           HB2      GLN  29  13.369  10.008   7.010
  203    HB3  GLN 839           HB3      GLN  29  14.231  10.297   5.513
  204    HG2  GLN 839           HG2      GLN  29  11.532  11.634   5.916
  205    HG3  GLN 839           HG3      GLN  29  12.964  12.289   6.686
  206   HE21  GLN 839          HE21      GLN  29  13.773  14.006   5.466
  207   HE22  GLN 839          HE22      GLN  29  13.816  14.010   3.713
  208    H    ASP 840           H        ASP  30  12.558   7.262   6.980
  209    HA   ASP 840           HA       ASP  30  14.840   5.935   5.567
  210    HB2  ASP 840           HB2      ASP  30  15.152   6.985   7.805
  211    HB3  ASP 840           HB3      ASP  30  13.996   5.834   8.458
  212    H    CYS 841           H        CYS  31  11.595   5.269   6.841
  213    HA   CYS 841           HA       CYS  31  11.789   2.442   6.772
  214    HB2  CYS 841           HB2      CYS  31   9.277   4.123   6.397
  215    HB3  CYS 841           HB3      CYS  31   9.381   2.412   6.725
  216    HA   PRO 842           HA       PRO  32  12.472   1.706   2.600
  217    HB2  PRO 842           HB2      PRO  32  11.836  -0.903   2.199
  218    HB3  PRO 842           HB3      PRO  32  13.090  -0.389   3.370
  219    HG2  PRO 842           HG2      PRO  32  10.183  -1.057   3.928
  220    HG3  PRO 842           HG3      PRO  32  11.634  -1.672   4.777
  221    HD2  PRO 842           HD2      PRO  32  10.147   0.478   5.671
  222    HD3  PRO 842           HD3      PRO  32  11.899   0.332   5.962
  223    HA   PRO 843           HA       PRO  33   9.162   2.485  -0.235
  224    HB2  PRO 843           HB2      PRO  33  10.500   0.418  -2.000
  225    HB3  PRO 843           HB3      PRO  33   9.852   2.029  -2.442
  226    HG2  PRO 843           HG2      PRO  33  12.500   1.733  -2.050
  227    HG3  PRO 843           HG3      PRO  33  11.661   3.138  -1.309
  228    HD2  PRO 843           HD2      PRO  33  12.445   0.512  -0.012
  229    HD3  PRO 843           HD3      PRO  33  12.650   2.184   0.588
  230    H    GLU 844           H        GLU  34   9.906  -0.962   0.264
  231    HA   GLU 844           HA       GLU  34   7.496  -2.111  -0.647
  232    HB2  GLU 844           HB2      GLU  34   9.554  -3.325  -0.090
  233    HB3  GLU 844           HB3      GLU  34   9.329  -2.966   1.627
  234    HG2  GLU 844           HG2      GLU  34   7.357  -4.369   1.735
  235    HG3  GLU 844           HG3      GLU  34   7.289  -4.497  -0.026
  236    H    MET 845           H        MET  35   8.163  -0.507   2.417
  237    HA   MET 845           HA       MET  35   5.474  -1.148   3.499
  238    HB2  MET 845           HB2      MET  35   8.020  -0.769   4.676
  239    HB3  MET 845           HB3      MET  35   7.099   0.656   5.127
  240    HG2  MET 845           HG2      MET  35   6.197  -2.231   5.462
  241    HG3  MET 845           HG3      MET  35   6.938  -1.248   6.719
  242    HE1  MET 845           HE1      MET  35   4.917  -2.019   8.281
  243    HE2  MET 845           HE2      MET  35   4.125  -2.881   6.944
  244    HE3  MET 845           HE3      MET  35   3.208  -1.707   7.909
  245    H    SER 846           H        SER  36   7.429   1.697   2.628
  246    HA   SER 846           HA       SER  36   6.994   3.916   2.429
  247    HB2  SER 846           HB2      SER  36   4.863   2.613   0.706
  248    HB3  SER 846           HB3      SER  36   5.166   4.359   0.715
  249    HG   SER 846           HG       SER  36   6.824   2.290  -0.187
  250    H    LEU 847           H        LEU  37   6.540   4.510   4.553
  251    HA   LEU 847           HA       LEU  37   3.770   4.327   5.492
  252    HB2  LEU 847           HB2      LEU  37   6.419   4.775   6.857
  253    HB3  LEU 847           HB3      LEU  37   4.949   5.126   7.680
  254    HG   LEU 847           HG       LEU  37   4.841   2.448   6.335
  255   HD11  LEU 847          HD11      LEU  37   7.174   3.025   8.112
  256   HD12  LEU 847          HD12      LEU  37   7.158   2.531   6.410
  257   HD13  LEU 847          HD13      LEU  37   6.611   1.384   7.650
  258   HD21  LEU 847          HD21      LEU  37   4.812   1.911   9.026
  259   HD22  LEU 847          HD22      LEU  37   3.443   2.137   7.962
  260   HD23  LEU 847          HD23      LEU  37   3.998   3.515   8.897
  261    H    ASP 848           H        ASP  38   2.643   5.970   6.601
  262    HA   ASP 848           HA       ASP  38   3.432   8.731   6.040
  263    HB2  ASP 848           HB2      ASP  38   0.746   7.714   5.113
  264    HB3  ASP 848           HB3      ASP  38   1.416   9.328   4.929
  265    H    PHE 849           H        PHE  39   2.408  10.311   7.241
  266    HA   PHE 849           HA       PHE  39   0.369   9.524   9.246
  267    HB2  PHE 849           HB2      PHE  39   2.792  11.232  10.024
  268    HB3  PHE 849           HB3      PHE  39   1.453  10.788  10.986
  269    HD1  PHE 849           HD1      PHE  39   1.494   8.893  12.316
  270    HD2  PHE 849           HD2      PHE  39   4.349   9.206   9.079
  271    HE1  PHE 849           HE1      PHE  39   2.610   6.815  13.086
  272    HE2  PHE 849           HE2      PHE  39   5.461   7.236   9.882
  273    HZ   PHE 849           HZ       PHE  39   4.582   5.917  11.861
  274    H    CYS 850           H        CYS  40  -1.200  11.032   9.705
  275    HA   CYS 850           HA       CYS  40  -1.651  13.229   8.002
  276    HB2  CYS 850           HB2      CYS  40  -2.808  12.730  10.766
  277    HB3  CYS 850           HB3      CYS  40  -3.585  13.592   9.441
  278    H    ASP 851           H        ASP  41  -2.293  15.420   8.901
  279    HA   ASP 851           HA       ASP  41  -0.159  16.941   9.932
  280    HB2  ASP 851           HB2      ASP  41  -1.675  18.725  10.006
  281    HB3  ASP 851           HB3      ASP  41  -2.167  17.748   8.630
  282    H    SER 852           H        SER  42  -2.737  15.236  11.662
  283    HA   SER 852           HA       SER  42  -2.079  16.420  14.244
  284    HB2  SER 852           HB2      SER  42  -4.412  16.022  13.574
  285    HB3  SER 852           HB3      SER  42  -4.084  14.283  13.463
  286    HG   SER 852           HG       SER  42  -4.111  15.936  15.787
  287    H    CYS 853           H        CYS  43  -1.851  13.140  12.748
  288    HA   CYS 853           HA       CYS  43  -0.946  11.997  15.223
  289    HB2  CYS 853           HB2      CYS  43  -1.352   9.962  14.213
  290    HB3  CYS 853           HB3      CYS  43  -2.616  11.054  13.625
  291    H    SER 854           H        SER  44   0.619  13.188  12.397
  292    HA   SER 854           HA       SER  44   3.179  11.935  12.534
  293    HB2  SER 854           HB2      SER  44   4.002  14.022  11.506
  294    HB3  SER 854           HB3      SER  44   2.514  13.470  10.729
  295    HG   SER 854           HG       SER  44   1.457  15.127  11.522
  296    H    ASP 855           H        ASP  45   1.623  13.750  14.946
  297    HA   ASP 855           HA       ASP  45   3.948  14.911  16.240
  298    HB2  ASP 855           HB2      ASP  45   1.559  15.676  16.563
  299    HB3  ASP 855           HB3      ASP  45   1.233  14.154  17.396
  300    H    CYS 856           H        CYS  46   2.901  11.711  15.735
  301    HA   CYS 856           HA       CYS  46   3.862  10.672  18.307
  302    HB2  CYS 856           HB2      CYS  46   1.705   9.865  17.459
  303    HB3  CYS 856           HB3      CYS  46   2.514   9.231  16.008
  304    HG   CYS 856           HG       CYS  46   1.933   7.258  17.661
  305    H    LEU 857           H        LEU  47   5.648   9.567  18.528
  306    HA   LEU 857           HA       LEU  47   7.482   9.133  16.219
  307    HB2  LEU 857           HB2      LEU  47   8.357  10.432  18.060
  308    HB3  LEU 857           HB3      LEU  47   8.001   9.148  19.217
  309    HG   LEU 857           HG       LEU  47   9.659   7.687  18.245
  310   HD11  LEU 857          HD11      LEU  47  11.127   8.564  16.329
  311   HD12  LEU 857          HD12      LEU  47   9.887   9.794  16.055
  312   HD13  LEU 857          HD13      LEU  47   9.486   8.062  15.877
  313   HD21  LEU 857          HD21      LEU  47  10.456   9.429  19.803
  314   HD22  LEU 857          HD22      LEU  47  10.763  10.529  18.440
  315   HD23  LEU 857          HD23      LEU  47  11.698   9.029  18.611
  316    H    HIS 858           H        HIS  48   6.405   7.448  15.308
  317    HA   HIS 858           HA       HIS  48   5.588   5.159  16.962
  318    HB2  HIS 858           HB2      HIS  48   3.935   6.413  15.555
  319    HB3  HIS 858           HB3      HIS  48   4.828   5.893  14.129
  320    HD2  HIS 858           HD2      HIS  48   3.643   3.912  12.989
  321    HE1  HIS 858           HE1      HIS  48   1.955   1.967  16.388
  322    HE2  HIS 858           HE2      HIS  48   2.160   1.905  13.849
  323    H    GLU 859           H        GLU  49   5.730   3.039  16.370
  324    HA   GLU 859           HA       GLU  49   7.783   2.268  14.425
  325    HB2  GLU 859           HB2      GLU  49   7.921   1.036  17.184
  326    HB3  GLU 859           HB3      GLU  49   9.082   1.016  15.909
  327    HG2  GLU 859           HG2      GLU  49   9.423   3.507  16.253
  328    HG3  GLU 859           HG3      GLU  49   8.348   3.407  17.634
  329    H    THR 860           H        THR  50   7.559   0.238  13.573
  330    HA   THR 860           HA       THR  50   5.405  -1.558  14.637
  331    HB   THR 860           HB       THR  50   4.568  -2.098  12.536
  332    HG1  THR 860           HG1      THR  50   5.460  -1.362  10.618
  333   HG21  THR 860          HG21      THR  50   3.786   0.031  11.519
  334   HG22  THR 860          HG22      THR  50   4.900   0.945  12.556
  335   HG23  THR 860          HG23      THR  50   3.602  -0.001  13.283
  336    H    ASP 861           H        ASP  51   6.185  -3.435  12.354
  337    HA   ASP 861           HA       ASP  51   8.447  -4.778  13.618
  338    HB2  ASP 861           HB2      ASP  51   6.509  -5.977  12.535
  339    HB3  ASP 861           HB3      ASP  51   7.027  -5.325  10.985
  340    H    ILE 862           H        ILE  52   7.817  -2.689  10.894
  341    HA   ILE 862           HA       ILE  52  10.632  -2.753  10.019
  342    HB   ILE 862           HB       ILE  52   8.133  -2.020   8.504
  343   HG12  ILE 862          HG12      ILE  52  10.190  -4.297   8.418
  344   HG13  ILE 862          HG13      ILE  52   8.488  -4.438   8.863
  345   HG21  ILE 862          HG21      ILE  52  11.070  -1.843   7.755
  346   HG22  ILE 862          HG22      ILE  52   9.921  -0.492   7.861
  347   HG23  ILE 862          HG23      ILE  52   9.713  -1.699   6.599
  348   HD11  ILE 862          HD11      ILE  52   9.614  -3.884   6.131
  349   HD12  ILE 862          HD12      ILE  52   7.876  -3.749   6.543
  350   HD13  ILE 862          HD13      ILE  52   8.722  -5.308   6.697
  351    H    HIS 863           H        HIS  53   7.893  -0.640  10.884
  352    HA   HIS 863           HA       HIS  53   9.354   1.814  10.448
  353    HB2  HIS 863           HB2      HIS  53   7.255   1.998   9.971
  354    HB3  HIS 863           HB3      HIS  53   6.547   1.004  11.053
  355    HD1  HIS 863           HD1      HIS  53   4.845   3.114  10.902
  356    HD2  HIS 863           HD2      HIS  53   8.642   3.949  12.332
  357    HE1  HIS 863           HE1      HIS  53   5.732   5.045   9.534
  358    H    LYS 864           H        LYS  54  10.581   2.973  11.863
  359    HA   LYS 864           HA       LYS  54  10.583   2.213  14.735
  360    HB2  LYS 864           HB2      LYS  54  13.108   2.305  13.050
  361    HB3  LYS 864           HB3      LYS  54  12.986   2.042  14.760
  362    HG2  LYS 864           HG2      LYS  54  11.814   0.148  12.642
  363    HG3  LYS 864           HG3      LYS  54  13.328  -0.095  13.450
  364    HD2  LYS 864           HD2      LYS  54  12.323  -0.627  15.526
  365    HD3  LYS 864           HD3      LYS  54  10.819   0.072  15.086
  366    HE2  LYS 864           HE2      LYS  54  10.514  -2.258  14.942
  367    HE3  LYS 864           HE3      LYS  54  10.490  -1.626  13.304
  368    HZ1  LYS 864           HZ1      LYS  54  12.866  -2.396  13.110
  369    HZ2  LYS 864           HZ2      LYS  54  11.821  -3.621  13.373
  370    HZ3  LYS 864           HZ3      LYS  54  12.759  -3.074  14.598
  371    H    GLU 865           H        GLU  55  11.639   3.654  16.163
  372    HA   GLU 865           HA       GLU  55  11.388   6.421  15.442
  373    HB2  GLU 865           HB2      GLU  55  11.839   6.852  17.746
  374    HB3  GLU 865           HB3      GLU  55  10.782   5.453  17.657
  375    HG2  GLU 865           HG2      GLU  55  12.910   4.034  17.975
  376    HG3  GLU 865           HG3      GLU  55  13.794   5.523  18.208
  377    H    ASP 866           H        ASP  56  13.759   4.500  14.495
  378    HA   ASP 866           HA       ASP  56  16.200   5.735  15.285
  379    HB2  ASP 866           HB2      ASP  56  15.443   3.967  13.005
  380    HB3  ASP 866           HB3      ASP  56  17.092   4.461  13.331
  381    H    HIS 867           H        HIS  57  13.748   6.741  13.118
  382    HA   HIS 867           HA       HIS  57  15.580   8.194  11.311
  383    HB2  HIS 867           HB2      HIS  57  13.890   7.858   9.737
  384    HB3  HIS 867           HB3      HIS  57  14.251   6.367  10.553
  385    HD1  HIS 867           HD1      HIS  57  11.539   8.936  11.850
  386    HD2  HIS 867           HD2      HIS  57  12.173   5.203  10.075
  387    HE1  HIS 867           HE1      HIS  57   9.232   8.096  11.174
  388    H    GLN 868           H        GLN  58  13.569   9.587  10.081
  389    HA   GLN 868           HA       GLN  58  12.238  11.503  11.806
  390    HB2  GLN 868           HB2      GLN  58  13.164  13.488  10.677
  391    HB3  GLN 868           HB3      GLN  58  14.360  12.636  11.632
  392    HG2  GLN 868           HG2      GLN  58  14.129  12.296   8.607
  393    HG3  GLN 868           HG3      GLN  58  15.107  13.541   9.365
  394   HE21  GLN 868          HE21      GLN  58  16.838  12.679  10.991
  395   HE22  GLN 868          HE22      GLN  58  17.582  11.162  10.504
  396    H    LEU 869           H        LEU  59  10.680  12.860  10.560
  397    HA   LEU 869           HA       LEU  59   9.666  11.486   8.098
  398    HB2  LEU 869           HB2      LEU  59   8.203  13.278  10.077
  399    HB3  LEU 869           HB3      LEU  59   7.514  12.390   8.719
  400    HG   LEU 869           HG       LEU  59   6.815  11.467  10.742
  401   HD11  LEU 869          HD11      LEU  59   7.317   9.128  10.364
  402   HD12  LEU 869          HD12      LEU  59   8.785   9.566   9.455
  403   HD13  LEU 869          HD13      LEU  59   7.160   9.972   8.831
  404   HD21  LEU 869          HD21      LEU  59   8.704  12.048  12.237
  405   HD22  LEU 869          HD22      LEU  59   9.601  10.658  11.572
  406   HD23  LEU 869          HD23      LEU  59   8.076  10.403  12.422
  407    H    GLU 870           H        GLU  60   9.009  12.659   6.356
  408    HA   GLU 870           HA       GLU  60   9.956  15.499   6.225
  409    HB2  GLU 870           HB2      GLU  60  10.804  13.811   4.606
  410    HB3  GLU 870           HB3      GLU  60   9.180  13.584   4.038
  411    HG2  GLU 870           HG2      GLU  60  10.032  14.958   2.478
  412    HG3  GLU 870           HG3      GLU  60   9.199  16.129   3.497
  413    HA   PRO 871           HA       PRO  61   5.483  16.529   6.120
  414    HB2  PRO 871           HB2      PRO  61   5.682  19.230   6.345
  415    HB3  PRO 871           HB3      PRO  61   5.863  18.129   7.736
  416    HG2  PRO 871           HG2      PRO  61   8.035  19.459   6.107
  417    HG3  PRO 871           HG3      PRO  61   7.943  19.272   7.884
  418    HD2  PRO 871           HD2      PRO  61   9.400  17.620   6.204
  419    HD3  PRO 871           HD3      PRO  61   8.742  17.075   7.766
  420    H    ILE 872           H        ILE  62   4.216  17.051   4.302
  421    HA   ILE 872           HA       ILE  62   5.619  18.230   1.939
  422    HB   ILE 872           HB       ILE  62   3.499  16.144   1.697
  423   HG12  ILE 872          HG12      ILE  62   5.296  15.015   3.007
  424   HG13  ILE 872          HG13      ILE  62   5.047  14.319   1.434
  425   HG21  ILE 872          HG21      ILE  62   5.721  17.074  -0.178
  426   HG22  ILE 872          HG22      ILE  62   4.054  17.615  -0.234
  427   HG23  ILE 872          HG23      ILE  62   4.430  15.917  -0.571
  428   HD11  ILE 872          HD11      ILE  62   7.261  16.308   1.988
  429   HD12  ILE 872          HD12      ILE  62   7.043  15.307   0.540
  430   HD13  ILE 872          HD13      ILE  62   7.440  14.545   2.093
  431    H    TYR 873           H        TYR  63   4.788  20.051   1.543
  432    HA   TYR 873           HA       TYR  63   2.139  20.825   2.513
  433    HB2  TYR 873           HB2      TYR  63   4.521  22.476   1.594
  434    HB3  TYR 873           HB3      TYR  63   3.009  23.128   2.194
  435    HD1  TYR 873           HD1      TYR  63   6.268  21.917   3.158
  436    HD2  TYR 873           HD2      TYR  63   2.220  22.457   4.557
  437    HE1  TYR 873           HE1      TYR  63   7.062  21.818   5.510
  438    HE2  TYR 873           HE2      TYR  63   3.013  22.344   6.908
  439    HH   TYR 873           HH       TYR  63   6.482  22.049   7.749
  440    H    ARG 874           H        ARG  64   2.800  19.315  -0.052
  441    HA   ARG 874           HA       ARG  64   0.970  20.691  -1.860
  442    HB2  ARG 874           HB2      ARG  64   2.584  20.733  -3.733
  443    HB3  ARG 874           HB3      ARG  64   2.990  21.844  -2.419
  444    HG2  ARG 874           HG2      ARG  64   4.779  20.385  -1.646
  445    HG3  ARG 874           HG3      ARG  64   4.312  19.125  -2.808
  446    HD2  ARG 874           HD2      ARG  64   4.768  20.658  -4.665
  447    HD3  ARG 874           HD3      ARG  64   5.234  21.928  -3.507
  448    HE   ARG 874           HE       ARG  64   6.797  19.576  -3.028
  449   HH11  ARG 874          HH11      ARG  64   6.580  22.127  -5.419
  450   HH12  ARG 874          HH12      ARG  64   8.256  21.971  -5.874
  451   HH21  ARG 874          HH21      ARG  64   8.924  19.424  -3.665
  452   HH22  ARG 874          HH22      ARG  64   9.543  20.480  -4.901
  453    H1   ALA   1           H1       ALA  65  -0.110   4.818   4.084
  454    H2   ALA   1           H2       ALA  65   1.444   5.040   3.642
  455    H3   ALA   1           H3       ALA  65   1.090   3.991   4.854
  456    HA   ALA   1           HA       ALA  65   1.644   2.834   2.808
  457    HB1  ALA   1           HB1      ALA  65  -1.276   2.484   3.606
  458    HB2  ALA   1           HB2      ALA  65   0.126   1.722   4.409
  459    HB3  ALA   1           HB3      ALA  65  -0.271   1.304   2.741
  460    H    ARG   2           H        ARG  66   1.049   2.293   0.599
  461    HA   ARG   2           HA       ARG  66  -0.078   4.740  -0.734
  462    HB2  ARG   2           HB2      ARG  66   1.981   2.810  -1.850
  463    HB3  ARG   2           HB3      ARG  66   1.493   4.380  -2.504
  464    HG2  ARG   2           HG2      ARG  66   3.001   3.844   0.079
  465    HG3  ARG   2           HG3      ARG  66   3.655   4.549  -1.396
  466    HD2  ARG   2           HD2      ARG  66   2.316   6.584  -1.066
  467    HD3  ARG   2           HD3      ARG  66   1.442   5.839   0.274
  468    HE   ARG   2           HE       ARG  66   3.055   6.338   1.734
  469   HH11  ARG   2          HH11      ARG  66   4.688   6.661  -1.370
  470   HH12  ARG   2          HH12      ARG  66   6.068   7.417  -0.639
  471   HH21  ARG   2          HH21      ARG  66   4.633   7.462   2.524
  472   HH22  ARG   2          HH22      ARG  66   6.100   7.770   1.614
  473    H    THR   3           H        THR  67  -2.122   4.374  -1.090
  474    HA   THR   3           HA       THR  67  -3.098   2.041  -2.639
  475    HB   THR   3           HB       THR  67  -5.243   3.329  -2.591
  476    HG1  THR   3           HG1      THR  67  -5.300   5.212  -1.355
  477   HG21  THR   3          HG21      THR  67  -3.943   3.125   0.174
  478   HG22  THR   3          HG22      THR  67  -4.666   1.763  -0.713
  479   HG23  THR   3          HG23      THR  67  -5.676   3.124  -0.194
  480   HH31  ALY   4           H26      ALY  68   2.139   6.455 -10.057
  481   HH32  ALY   4           H27      ALY  68   3.079   7.734 -10.867
  482   HH33  ALY   4           H28      ALY  68   1.334   7.580 -11.179
  483    HZ   ALY   4           HZ1      ALY  68  -0.019   7.602  -9.134
  484    HE3  ALY   4           HE3      ALY  68   0.982   9.510  -7.048
  485    HE2  ALY   4           HE2      ALY  68  -0.563   9.807  -7.862
  486    HD3  ALY   4           HD3      ALY  68  -0.860   8.669  -5.702
  487    HD2  ALY   4           HD2      ALY  68  -1.432   7.664  -7.048
  488    HG3  ALY   4           HG3      ALY  68   0.626   6.297  -6.939
  489    HG2  ALY   4           HG2      ALY  68   1.315   7.385  -5.735
  490    HB3  ALY   4           HB3      ALY  68   0.521   5.345  -4.690
  491    HB2  ALY   4           HB2      ALY  68  -0.355   6.747  -4.095
  492    HA   ALY   4           HA       ALY  68  -2.298   6.150  -5.525
  493    H    ALY   4           H        ALY  68  -1.549   5.002  -3.217
  494    H    GLN   5           H        GLN  69  -2.963   5.429  -7.419
  495    HA   GLN   5           HA       GLN  69  -1.889   2.989  -8.686
  496    HB2  GLN   5           HB2      GLN  69  -4.006   4.980  -9.608
  497    HB3  GLN   5           HB3      GLN  69  -3.611   3.452 -10.401
  498    HG2  GLN   5           HG2      GLN  69  -4.813   3.774  -7.611
  499    HG3  GLN   5           HG3      GLN  69  -5.645   3.232  -9.060
  500   HE21  GLN   5          HE21      GLN  69  -4.006   2.130  -6.283
  501   HE22  GLN   5          HE22      GLN  69  -3.766   0.474  -6.833
  502    H    THR   6           H        THR  70  -1.163   3.015 -10.944
  503    HA   THR   6           HA       THR  70   0.926   4.969 -11.419
  504    HB   THR   6           HB       THR  70   1.286   3.671 -13.507
  505    HG1  THR   6           HG1      THR  70   0.024   1.832 -13.848
  506   HG21  THR   6          HG21      THR  70   2.010   1.596 -12.455
  507   HG22  THR   6          HG22      THR  70   0.971   1.900 -11.045
  508   HG23  THR   6          HG23      THR  70   2.355   2.963 -11.380
  509    H    ALA   7           H        ALA  71  -2.392   4.729 -12.470
  510    HA   ALA   7           HA       ALA  71  -2.200   7.286 -13.900
  511    HB1  ALA   7           HB1      ALA  71  -3.279   6.373 -15.938
  512    HB2  ALA   7           HB2      ALA  71  -3.194   4.741 -15.257
  513    HB3  ALA   7           HB3      ALA  71  -1.699   5.620 -15.655
  514    H    ARG   8           H        ARG  72  -4.299   8.197 -14.400
  515    HA   ARG   8           HA       ARG  72  -6.259   7.902 -12.290
  516    HB2  ARG   8           HB2      ARG  72  -5.694  10.045 -13.282
  517    HB3  ARG   8           HB3      ARG  72  -6.277   9.536 -14.860
  518    HG2  ARG   8           HG2      ARG  72  -8.111   9.548 -12.430
  519    HG3  ARG   8           HG3      ARG  72  -7.752  11.042 -13.280
  520    HD2  ARG   8           HD2      ARG  72  -9.023   8.617 -14.621
  521    HD3  ARG   8           HD3      ARG  72  -9.894   9.985 -13.958
  522    HE   ARG   8           HE       ARG  72  -9.077  11.414 -15.630
  523   HH11  ARG   8          HH11      ARG  72  -8.745  11.753 -17.771
  524   HH12  ARG   8          HH12      ARG  72  -8.097  10.493 -18.776
  525   HH21  ARG   8          HH21      ARG  72  -7.822   8.173 -16.250
  526   HH22  ARG   8          HH22      ARG  72  -7.640   8.510 -17.953
  Start of MODEL    3
    1    H1   GLY 811           H1       GLY   1  -6.832  26.740   4.441
    2    H2   GLY 811           H2       GLY   1  -7.580  25.380   3.918
    3    H3   GLY 811           H3       GLY   1  -8.426  26.781   4.068
    4    HA2  GLY 811           HA2      GLY   1  -7.988  26.402   1.736
    5    HA3  GLY 811           HA3      GLY   1  -7.110  27.831   2.313
    6    HA   PRO 812           HA       PRO   2  -4.314  24.875   0.002
    7    HB2  PRO 812           HB2      PRO   2  -3.193  27.538  -0.869
    8    HB3  PRO 812           HB3      PRO   2  -3.348  25.997  -1.782
    9    HG2  PRO 812           HG2      PRO   2  -5.155  27.987  -2.158
   10    HG3  PRO 812           HG3      PRO   2  -5.721  26.293  -1.999
   11    HD2  PRO 812           HD2      PRO   2  -5.664  28.461   0.117
   12    HD3  PRO 812           HD3      PRO   2  -6.979  27.318  -0.291
   13    H    LEU 813           H        LEU   3  -2.115  24.365   0.297
   14    HA   LEU 813           HA       LEU   3  -0.347  23.835   1.576
   15    HB2  LEU 813           HB2      LEU   3  -0.323  26.635   2.705
   16    HB3  LEU 813           HB3      LEU   3   1.005  25.496   2.645
   17    HG   LEU 813           HG       LEU   3  -0.284  26.775   0.183
   18   HD11  LEU 813          HD11      LEU   3   1.743  28.157   0.115
   19   HD12  LEU 813          HD12      LEU   3   2.303  27.436   1.642
   20   HD13  LEU 813          HD13      LEU   3   0.827  28.430   1.609
   21   HD21  LEU 813          HD21      LEU   3   2.317  25.214   0.489
   22   HD22  LEU 813          HD22      LEU   3   1.711  25.968  -0.999
   23   HD23  LEU 813          HD23      LEU   3   0.841  24.602  -0.298
   24    H    GLY 814           H        GLY   4  -3.100  25.155   3.291
   25    HA2  GLY 814           HA2      GLY   4  -2.405  23.662   5.777
   26    HA3  GLY 814           HA3      GLY   4  -3.660  24.878   5.567
   27    H    SER 815           H        SER   5  -4.292  23.169   2.937
   28    HA   SER 815           HA       SER   5  -5.946  21.082   4.226
   29    HB2  SER 815           HB2      SER   5  -6.967  23.136   2.246
   30    HB3  SER 815           HB3      SER   5  -7.919  21.873   3.036
   31    HG   SER 815           HG       SER   5  -7.567  22.893   5.038
   32    H    VAL 816           H        VAL   6  -3.516  20.861   2.428
   33    HA   VAL 816           HA       VAL   6  -4.211  20.072  -0.214
   34    HB   VAL 816           HB       VAL   6  -1.960  19.288   1.675
   35   HG11  VAL 816          HG11      VAL   6  -0.581  18.765  -0.146
   36   HG12  VAL 816          HG12      VAL   6  -1.889  19.140  -1.318
   37   HG13  VAL 816          HG13      VAL   6  -2.033  17.768  -0.185
   38   HG21  VAL 816          HG21      VAL   6  -0.635  21.057   0.705
   39   HG22  VAL 816          HG22      VAL   6  -2.122  21.782   1.275
   40   HG23  VAL 816          HG23      VAL   6  -1.920  21.464  -0.464
   41    H    GLN 817           H        GLN   7  -5.023  18.244  -1.049
   42    HA   GLN 817           HA       GLN   7  -5.659  16.011   0.777
   43    HB2  GLN 817           HB2      GLN   7  -6.959  15.206  -1.144
   44    HB3  GLN 817           HB3      GLN   7  -7.448  16.781  -0.540
   45    HG2  GLN 817           HG2      GLN   7  -7.357  17.660  -2.562
   46    HG3  GLN 817           HG3      GLN   7  -5.640  17.351  -2.658
   47   HE21  GLN 817          HE21      GLN   7  -4.989  15.126  -3.366
   48   HE22  GLN 817          HE22      GLN   7  -5.953  14.400  -4.665
   49    H    HIS 818           H        HIS   8  -4.439  14.232   0.997
   50    HA   HIS 818           HA       HIS   8  -2.545  13.491  -1.178
   51    HB2  HIS 818           HB2      HIS   8  -2.442  12.296   1.567
   52    HB3  HIS 818           HB3      HIS   8  -1.156  12.575   0.399
   53    HD2  HIS 818           HD2      HIS   8  -0.738  15.418  -0.051
   54    HE1  HIS 818           HE1      HIS   8  -1.959  16.411   3.892
   55    HE2  HIS 818           HE2      HIS   8  -0.833  17.306   1.763
   56    H    VAL 819           H        VAL   9  -4.847  12.834  -2.148
   57    HA   VAL 819           HA       VAL   9  -5.967  10.289  -1.512
   58    HB   VAL 819           HB       VAL   9  -5.821  11.718  -4.134
   59   HG11  VAL 819          HG11      VAL   9  -6.171   9.333  -4.609
   60   HG12  VAL 819          HG12      VAL   9  -7.672  10.228  -4.834
   61   HG13  VAL 819          HG13      VAL   9  -7.446   9.259  -3.361
   62   HG21  VAL 819          HG21      VAL   9  -8.048  11.340  -2.076
   63   HG22  VAL 819          HG22      VAL   9  -8.198  12.224  -3.612
   64   HG23  VAL 819          HG23      VAL   9  -7.144  12.847  -2.337
   65    H    GLY 820           H        GLY  10  -5.271   8.299  -1.644
   66    HA2  GLY 820           HA2      GLY  10  -3.920   6.505  -2.419
   67    HA3  GLY 820           HA3      GLY  10  -2.792   7.650  -3.132
   68    H    PHE 821           H        PHE  11  -3.410   8.817   0.001
   69    HA   PHE 821           HA       PHE  11  -1.413   7.023   1.320
   70    HB2  PHE 821           HB2      PHE  11  -1.321  10.047   1.442
   71    HB3  PHE 821           HB3      PHE  11  -0.157   8.894   2.070
   72    HD1  PHE 821           HD1      PHE  11  -1.265  10.796  -0.797
   73    HD2  PHE 821           HD2      PHE  11   1.435   7.746   0.537
   74    HE1  PHE 821           HE1      PHE  11   0.084  11.142  -2.836
   75    HE2  PHE 821           HE2      PHE  11   2.724   7.971  -1.589
   76    HZ   PHE 821           HZ       PHE  11   2.082   9.753  -3.231
   77    H    LYS 822           H        LYS  12  -3.018   6.068   2.553
   78    HA   LYS 822           HA       LYS  12  -4.628   7.659   4.508
   79    HB2  LYS 822           HB2      LYS  12  -5.823   5.870   3.573
   80    HB3  LYS 822           HB3      LYS  12  -4.507   4.795   3.605
   81    HG2  LYS 822           HG2      LYS  12  -5.170   5.365   6.401
   82    HG3  LYS 822           HG3      LYS  12  -6.641   5.219   5.541
   83    HD2  LYS 822           HD2      LYS  12  -6.226   3.156   6.469
   84    HD3  LYS 822           HD3      LYS  12  -5.967   2.963   4.723
   85    HE2  LYS 822           HE2      LYS  12  -3.505   3.109   5.108
   86    HE3  LYS 822           HE3      LYS  12  -3.794   3.360   6.841
   87    HZ1  LYS 822           HZ1      LYS  12  -3.296   1.006   6.376
   88    HZ2  LYS 822           HZ2      LYS  12  -4.561   0.886   5.342
   89    HZ3  LYS 822           HZ3      LYS  12  -4.821   1.138   6.933
   90    H    CYS 823           H        CYS  13  -4.074   7.766   6.687
   91    HA   CYS 823           HA       CYS  13  -1.297   7.635   7.374
   92    HB2  CYS 823           HB2      CYS  13  -2.925   9.296   8.192
   93    HB3  CYS 823           HB3      CYS  13  -3.815   8.011   8.978
   94    H    ASP 824           H        ASP  14  -0.312   6.496   8.987
   95    HA   ASP 824           HA       ASP  14  -1.243   3.698   9.505
   96    HB2  ASP 824           HB2      ASP  14   1.486   5.027   9.694
   97    HB3  ASP 824           HB3      ASP  14   1.146   3.365  10.154
   98    H    ASN 825           H        ASN  15  -0.363   6.706  11.114
   99    HA   ASN 825           HA       ASN  15  -0.155   5.636  13.779
  100    HB2  ASN 825           HB2      ASN  15   0.684   7.854  13.054
  101    HB3  ASN 825           HB3      ASN  15  -0.988   8.433  12.913
  102   HD21  ASN 825          HD21      ASN  15  -0.903   9.980  14.551
  103   HD22  ASN 825          HD22      ASN  15  -0.650   9.534  16.249
  104    H    CYS 826           H        CYS  16  -2.914   7.419  12.281
  105    HA   CYS 826           HA       CYS  16  -4.684   6.315  14.372
  106    HB2  CYS 826           HB2      CYS  16  -5.877   8.302  14.292
  107    HB3  CYS 826           HB3      CYS  16  -4.187   8.804  14.248
  108    H    GLY 827           H        GLY  17  -4.156   6.130  10.969
  109    HA2  GLY 827           HA2      GLY  17  -4.994   4.580   9.565
  110    HA3  GLY 827           HA3      GLY  17  -6.215   4.106  10.712
  111    H    ILE 828           H        ILE  18  -6.086   7.537  10.208
  112    HA   ILE 828           HA       ILE  18  -8.553   7.703   8.893
  113    HB   ILE 828           HB       ILE  18  -7.596   9.579  10.114
  114   HG12  ILE 828          HG12      ILE  18  -7.871  10.391   7.186
  115   HG13  ILE 828          HG13      ILE  18  -9.237   9.936   8.164
  116   HG21  ILE 828          HG21      ILE  18  -5.805  10.947   9.205
  117   HG22  ILE 828          HG22      ILE  18  -5.540   9.840   7.852
  118   HG23  ILE 828          HG23      ILE  18  -5.205   9.340   9.510
  119   HD11  ILE 828          HD11      ILE  18  -8.718  11.780   9.762
  120   HD12  ILE 828          HD12      ILE  18  -9.139  12.309   8.126
  121   HD13  ILE 828          HD13      ILE  18  -7.449  12.336   8.638
  122    H    GLU 829           H        GLU  19  -9.093   7.866   6.830
  123    HA   GLU 829           HA       GLU  19  -7.774   6.643   4.634
  124    HB2  GLU 829           HB2      GLU  19  -9.676   8.779   4.116
  125    HB3  GLU 829           HB3      GLU  19  -9.659   7.135   3.496
  126    HG2  GLU 829           HG2      GLU  19 -10.818   8.059   6.129
  127    HG3  GLU 829           HG3      GLU  19 -11.693   7.503   4.714
  128    HA   PRO 830           HA       PRO  20  -5.196   9.355   2.384
  129    HB2  PRO 830           HB2      PRO  20  -7.560  10.746   1.120
  130    HB3  PRO 830           HB3      PRO  20  -5.910  10.476   0.477
  131    HG2  PRO 830           HG2      PRO  20  -7.920   8.787  -0.135
  132    HG3  PRO 830           HG3      PRO  20  -6.283   8.164   0.234
  133    HD2  PRO 830           HD2      PRO  20  -8.755   8.250   1.940
  134    HD3  PRO 830           HD3      PRO  20  -7.423   7.052   1.981
  135    H    ILE 831           H        ILE  21  -4.075  10.656   3.554
  136    HA   ILE 831           HA       ILE  21  -5.016  12.317   5.571
  137    HB   ILE 831           HB       ILE  21  -2.337  12.240   4.152
  138   HG12  ILE 831          HG12      ILE  21  -2.926  11.114   6.912
  139   HG13  ILE 831          HG13      ILE  21  -3.349  10.175   5.507
  140   HG21  ILE 831          HG21      ILE  21  -1.325  13.269   6.187
  141   HG22  ILE 831          HG22      ILE  21  -2.949  13.541   6.849
  142   HG23  ILE 831          HG23      ILE  21  -2.399  14.392   5.394
  143   HD11  ILE 831          HD11      ILE  21  -1.056  10.250   4.659
  144   HD12  ILE 831          HD12      ILE  21  -1.141   9.537   6.285
  145   HD13  ILE 831          HD13      ILE  21  -0.547  11.187   6.074
  146    H    GLN 832           H        GLN  22  -4.923  14.550   5.984
  147    HA   GLN 832           HA       GLN  22  -5.050  16.245   3.531
  148    HB2  GLN 832           HB2      GLN  22  -6.880  16.500   5.948
  149    HB3  GLN 832           HB3      GLN  22  -6.971  17.419   4.452
  150    HG2  GLN 832           HG2      GLN  22  -7.442  14.399   4.628
  151    HG3  GLN 832           HG3      GLN  22  -8.687  15.596   4.777
  152   HE21  GLN 832          HE21      GLN  22  -7.633  13.465   2.586
  153   HE22  GLN 832          HE22      GLN  22  -8.089  14.356   1.132
  154    H    GLY 833           H        GLY  23  -4.072  18.113   3.552
  155    HA2  GLY 833           HA2      GLY  23  -3.685  20.270   4.742
  156    HA3  GLY 833           HA3      GLY  23  -3.061  19.369   6.078
  157    H    VAL 834           H        VAL  24  -1.261  17.862   5.525
  158    HA   VAL 834           HA       VAL  24   0.606  18.581   3.420
  159    HB   VAL 834           HB       VAL  24   0.958  20.107   5.358
  160   HG11  VAL 834          HG11      VAL  24   1.773  17.673   6.907
  161   HG12  VAL 834          HG12      VAL  24   0.257  18.599   7.126
  162   HG13  VAL 834          HG13      VAL  24   1.827  19.372   7.449
  163   HG21  VAL 834          HG21      VAL  24   3.407  19.734   5.645
  164   HG22  VAL 834          HG22      VAL  24   2.914  19.594   3.957
  165   HG23  VAL 834          HG23      VAL  24   3.242  18.128   4.919
  166    H    ARG 835           H        ARG  25   1.756  16.658   2.809
  167    HA   ARG 835           HA       ARG  25   0.829  14.161   4.111
  168    HB2  ARG 835           HB2      ARG  25   1.207  14.436   1.553
  169    HB3  ARG 835           HB3      ARG  25   2.921  14.410   1.949
  170    HG2  ARG 835           HG2      ARG  25   2.663  12.168   2.965
  171    HG3  ARG 835           HG3      ARG  25   0.964  12.151   2.460
  172    HD2  ARG 835           HD2      ARG  25   1.563  12.026   0.157
  173    HD3  ARG 835           HD3      ARG  25   3.197  12.643   0.462
  174    HE   ARG 835           HE       ARG  25   2.491  10.067   1.747
  175   HH11  ARG 835          HH11      ARG  25   4.282  11.385  -1.005
  176   HH12  ARG 835          HH12      ARG  25   5.364  10.023  -0.974
  177   HH21  ARG 835          HH21      ARG  25   3.763   8.540   1.701
  178   HH22  ARG 835          HH22      ARG  25   5.201   8.498   0.681
  179    H    TRP 836           H        TRP  26   2.379  12.648   5.085
  180    HA   TRP 836           HA       TRP  26   5.085  13.792   5.624
  181    HB2  TRP 836           HB2      TRP  26   3.430  12.514   7.808
  182    HB3  TRP 836           HB3      TRP  26   5.131  12.721   7.827
  183    HD1  TRP 836           HD1      TRP  26   2.056  14.971   8.016
  184    HE1  TRP 836           HE1      TRP  26   2.841  17.267   8.970
  185    HE3  TRP 836           HE3      TRP  26   7.085  14.430   7.487
  186    HZ2  TRP 836           HZ2      TRP  26   5.316  18.470   9.772
  187    HZ3  TRP 836           HZ3      TRP  26   8.662  16.059   8.475
  188    HH2  TRP 836           HH2      TRP  26   7.797  18.060   9.663
  189    H    HIS 837           H        HIS  27   6.070  12.692   4.179
  190    HA   HIS 837           HA       HIS  27   5.617   9.786   3.745
  191    HB2  HIS 837           HB2      HIS  27   5.836  11.161   1.785
  192    HB3  HIS 837           HB3      HIS  27   7.278  11.948   2.387
  193    HD2  HIS 837           HD2      HIS  27   9.573  10.943   1.727
  194    HE1  HIS 837           HE1      HIS  27   8.289   7.183   0.181
  195    HE2  HIS 837           HE2      HIS  27  10.285   8.727   0.487
  196    H    CYS 838           H        CYS  28   6.627   8.402   5.082
  197    HA   CYS 838           HA       CYS  28   8.885   8.937   6.693
  198    HB2  CYS 838           HB2      CYS  28   7.438   6.554   5.634
  199    HB3  CYS 838           HB3      CYS  28   9.074   6.319   6.276
  200    H    GLN 839           H        GLN  29  11.004   9.197   6.280
  201    HA   GLN 839           HA       GLN  29  11.910   9.098   3.526
  202    HB2  GLN 839           HB2      GLN  29  13.361   9.840   6.087
  203    HB3  GLN 839           HB3      GLN  29  14.004  10.034   4.463
  204    HG2  GLN 839           HG2      GLN  29  11.692  11.334   4.059
  205    HG3  GLN 839           HG3      GLN  29  11.744  11.539   5.797
  206   HE21  GLN 839          HE21      GLN  29  12.099  13.843   5.802
  207   HE22  GLN 839          HE22      GLN  29  13.458  14.559   4.967
  208    H    ASP 840           H        ASP  30  12.485   7.113   6.398
  209    HA   ASP 840           HA       ASP  30  14.691   5.663   4.977
  210    HB2  ASP 840           HB2      ASP  30  15.129   6.730   7.164
  211    HB3  ASP 840           HB3      ASP  30  13.892   5.711   7.889
  212    H    CYS 841           H        CYS  31  11.486   5.126   6.410
  213    HA   CYS 841           HA       CYS  31  11.553   2.287   6.283
  214    HB2  CYS 841           HB2      CYS  31   9.111   4.096   6.140
  215    HB3  CYS 841           HB3      CYS  31   9.159   2.384   6.506
  216    HA   PRO 842           HA       PRO  32  11.886   1.695   2.036
  217    HB2  PRO 842           HB2      PRO  32  11.010  -0.854   1.572
  218    HB3  PRO 842           HB3      PRO  32  12.427  -0.471   2.593
  219    HG2  PRO 842           HG2      PRO  32   9.574  -0.996   3.503
  220    HG3  PRO 842           HG3      PRO  32  11.088  -1.740   4.118
  221    HD2  PRO 842           HD2      PRO  32   9.919   0.403   5.350
  222    HD3  PRO 842           HD3      PRO  32  11.683   0.209   5.278
  223    HA   PRO 843           HA       PRO  33   8.337   2.831  -0.410
  224    HB2  PRO 843           HB2      PRO  33   9.496   0.932  -2.469
  225    HB3  PRO 843           HB3      PRO  33   8.841   2.586  -2.701
  226    HG2  PRO 843           HG2      PRO  33  11.508   2.228  -2.566
  227    HG3  PRO 843           HG3      PRO  33  10.764   3.560  -1.622
  228    HD2  PRO 843           HD2      PRO  33  11.597   0.804  -0.660
  229    HD3  PRO 843           HD3      PRO  33  11.890   2.406   0.083
  230    H    GLU 844           H        GLU  34   9.059  -0.656  -0.270
  231    HA   GLU 844           HA       GLU  34   6.554  -1.721  -1.019
  232    HB2  GLU 844           HB2      GLU  34   8.588  -3.029  -0.719
  233    HB3  GLU 844           HB3      GLU  34   8.581  -2.719   1.025
  234    HG2  GLU 844           HG2      GLU  34   6.573  -4.047   1.321
  235    HG3  GLU 844           HG3      GLU  34   6.290  -4.106  -0.420
  236    H    MET 845           H        MET  35   7.593  -0.433   2.112
  237    HA   MET 845           HA       MET  35   4.964  -0.922   3.389
  238    HB2  MET 845           HB2      MET  35   7.518   0.398   4.369
  239    HB3  MET 845           HB3      MET  35   6.021   0.354   5.300
  240    HG2  MET 845           HG2      MET  35   7.439  -2.128   4.278
  241    HG3  MET 845           HG3      MET  35   7.666  -1.443   5.884
  242    HE1  MET 845           HE1      MET  35   5.998  -1.538   7.848
  243    HE2  MET 845           HE2      MET  35   4.342  -2.160   7.749
  244    HE3  MET 845           HE3      MET  35   4.746  -0.634   6.956
  245    H    SER 846           H        SER  36   6.894   1.834   2.256
  246    HA   SER 846           HA       SER  36   6.582   4.083   2.402
  247    HB2  SER 846           HB2      SER  36   6.119   3.460   0.129
  248    HB3  SER 846           HB3      SER  36   4.396   3.314   0.480
  249    HG   SER 846           HG       SER  36   5.101   5.409  -0.404
  250    H    LEU 847           H        LEU  37   6.148   4.357   4.501
  251    HA   LEU 847           HA       LEU  37   3.442   4.302   5.587
  252    HB2  LEU 847           HB2      LEU  37   6.223   4.739   6.693
  253    HB3  LEU 847           HB3      LEU  37   4.852   5.128   7.645
  254    HG   LEU 847           HG       LEU  37   4.607   2.414   6.374
  255   HD11  LEU 847          HD11      LEU  37   6.920   2.404   6.272
  256   HD12  LEU 847          HD12      LEU  37   6.452   1.351   7.614
  257   HD13  LEU 847          HD13      LEU  37   7.093   2.992   7.936
  258   HD21  LEU 847          HD21      LEU  37   3.311   2.193   8.108
  259   HD22  LEU 847          HD22      LEU  37   4.001   3.547   8.982
  260   HD23  LEU 847          HD23      LEU  37   4.757   1.909   9.058
  261    H    ASP 848           H        ASP  38   2.478   6.077   6.829
  262    HA   ASP 848           HA       ASP  38   3.197   8.770   5.915
  263    HB2  ASP 848           HB2      ASP  38   0.464   7.620   5.311
  264    HB3  ASP 848           HB3      ASP  38   1.019   9.277   5.049
  265    H    PHE 849           H        PHE  39   2.421  10.430   7.140
  266    HA   PHE 849           HA       PHE  39   0.492   9.821   9.331
  267    HB2  PHE 849           HB2      PHE  39   3.034  11.439   9.823
  268    HB3  PHE 849           HB3      PHE  39   1.755  11.045  10.918
  269    HD1  PHE 849           HD1      PHE  39   4.370   9.258   8.766
  270    HD2  PHE 849           HD2      PHE  39   2.046   9.346  12.400
  271    HE1  PHE 849           HE1      PHE  39   5.443   7.256   9.507
  272    HE2  PHE 849           HE2      PHE  39   3.090   7.231  13.129
  273    HZ   PHE 849           HZ       PHE  39   4.775   6.090  11.684
  274    H    CYS 850           H        CYS  40  -0.912  11.458   9.951
  275    HA   CYS 850           HA       CYS  40  -1.324  13.744   8.359
  276    HB2  CYS 850           HB2      CYS  40  -2.131  13.203  11.235
  277    HB3  CYS 850           HB3      CYS  40  -2.925  14.329  10.139
  278    H    ASP 851           H        ASP  41  -1.423  16.033   9.249
  279    HA   ASP 851           HA       ASP  41   1.056  17.120   9.966
  280    HB2  ASP 851           HB2      ASP  41  -0.073  19.162  10.212
  281    HB3  ASP 851           HB3      ASP  41  -0.912  18.298   8.937
  282    H    SER 852           H        SER  42  -1.456  15.891  12.093
  283    HA   SER 852           HA       SER  42  -0.105  16.781  14.541
  284    HB2  SER 852           HB2      SER  42  -2.563  16.791  14.394
  285    HB3  SER 852           HB3      SER  42  -2.553  15.034  14.138
  286    HG   SER 852           HG       SER  42  -2.930  15.664  16.356
  287    H    CYS 853           H        CYS  43  -0.645  13.721  12.759
  288    HA   CYS 853           HA       CYS  43   0.289  11.969  14.801
  289    HB2  CYS 853           HB2      CYS  43  -0.241  11.736  11.843
  290    HB3  CYS 853           HB3      CYS  43   0.165  10.382  12.872
  291    H    SER 854           H        SER  44   1.842  13.662  12.141
  292    HA   SER 854           HA       SER  44   4.193  12.083  11.810
  293    HB2  SER 854           HB2      SER  44   5.041  14.061  10.695
  294    HB3  SER 854           HB3      SER  44   3.325  13.890  10.327
  295    HG   SER 854           HG       SER  44   3.883  16.051  10.938
  296    H    ASP 855           H        ASP  45   3.270  14.236  14.350
  297    HA   ASP 855           HA       ASP  45   5.949  14.534  15.479
  298    HB2  ASP 855           HB2      ASP  45   4.126  16.316  15.565
  299    HB3  ASP 855           HB3      ASP  45   3.267  15.279  16.703
  300    H    CYS 856           H        CYS  46   3.644  12.055  15.431
  301    HA   CYS 856           HA       CYS  46   3.707  11.347  18.226
  302    HB2  CYS 856           HB2      CYS  46   1.820  11.008  16.435
  303    HB3  CYS 856           HB3      CYS  46   2.731   9.576  15.950
  304    HG   CYS 856           HG       CYS  46   2.812   8.469  18.349
  305    H    LEU 857           H        LEU  47   5.756  10.628  15.614
  306    HA   LEU 857           HA       LEU  47   7.565   9.327  15.314
  307    HB2  LEU 857           HB2      LEU  47   8.160  10.994  17.044
  308    HB3  LEU 857           HB3      LEU  47   7.864   9.814  18.301
  309    HG   LEU 857           HG       LEU  47   9.723   8.446  17.648
  310   HD11  LEU 857          HD11      LEU  47   9.600   8.376  15.264
  311   HD12  LEU 857          HD12      LEU  47  11.165   9.131  15.640
  312   HD13  LEU 857          HD13      LEU  47   9.815  10.147  15.121
  313   HD21  LEU 857          HD21      LEU  47  10.277  10.506  18.888
  314   HD22  LEU 857          HD22      LEU  47  10.567  11.356  17.351
  315   HD23  LEU 857          HD23      LEU  47  11.602   9.990  17.834
  316    H    HIS 858           H        HIS  48   6.213   7.535  14.739
  317    HA   HIS 858           HA       HIS  48   5.806   5.462  16.780
  318    HB2  HIS 858           HB2      HIS  48   3.883   6.395  15.449
  319    HB3  HIS 858           HB3      HIS  48   4.635   5.726  13.999
  320    HD2  HIS 858           HD2      HIS  48   3.957   3.318  13.366
  321    HE1  HIS 858           HE1      HIS  48   2.255   2.046  17.069
  322    HE2  HIS 858           HE2      HIS  48   2.639   1.405  14.641
  323    H    GLU 859           H        GLU  49   5.970   3.226  16.289
  324    HA   GLU 859           HA       GLU  49   7.985   2.513  14.275
  325    HB2  GLU 859           HB2      GLU  49   8.319   1.470  17.100
  326    HB3  GLU 859           HB3      GLU  49   9.418   1.419  15.773
  327    HG2  GLU 859           HG2      GLU  49   9.627   3.942  15.913
  328    HG3  GLU 859           HG3      GLU  49   8.606   3.903  17.335
  329    H    THR 860           H        THR  50   7.831   0.451  13.483
  330    HA   THR 860           HA       THR  50   5.726  -1.375  14.619
  331    HB   THR 860           HB       THR  50   4.864  -1.950  12.538
  332    HG1  THR 860           HG1      THR  50   5.728  -1.301  10.602
  333   HG21  THR 860          HG21      THR  50   3.855   0.130  13.201
  334   HG22  THR 860          HG22      THR  50   4.106   0.165  11.448
  335   HG23  THR 860          HG23      THR  50   5.161   1.098  12.525
  336    H    ASP 861           H        ASP  51   6.499  -3.274  12.368
  337    HA   ASP 861           HA       ASP  51   8.797  -4.566  13.617
  338    HB2  ASP 861           HB2      ASP  51   6.836  -5.805  12.646
  339    HB3  ASP 861           HB3      ASP  51   7.291  -5.208  11.051
  340    H    ILE 862           H        ILE  52   8.104  -2.502  10.888
  341    HA   ILE 862           HA       ILE  52  10.911  -2.566   9.975
  342    HB   ILE 862           HB       ILE  52   8.390  -2.009   8.429
  343   HG12  ILE 862          HG12      ILE  52  10.570  -4.168   8.408
  344   HG13  ILE 862          HG13      ILE  52   8.896  -4.393   8.933
  345   HG21  ILE 862          HG21      ILE  52  10.008  -1.723   6.507
  346   HG22  ILE 862          HG22      ILE  52  11.331  -1.707   7.699
  347   HG23  ILE 862          HG23      ILE  52  10.095  -0.429   7.694
  348   HD11  ILE 862          HD11      ILE  52   9.872  -3.892   6.129
  349   HD12  ILE 862          HD12      ILE  52   8.148  -3.854   6.628
  350   HD13  ILE 862          HD13      ILE  52   9.105  -5.346   6.788
  351    H    HIS 863           H        HIS  53   8.141  -0.513  10.836
  352    HA   HIS 863           HA       HIS  53   9.510   1.967  10.272
  353    HB2  HIS 863           HB2      HIS  53   7.393   2.097   9.841
  354    HB3  HIS 863           HB3      HIS  53   6.732   1.128  10.976
  355    HD1  HIS 863           HD1      HIS  53   4.978   3.225  10.868
  356    HD2  HIS 863           HD2      HIS  53   8.800   4.158  12.138
  357    HE1  HIS 863           HE1      HIS  53   5.807   5.088   9.375
  358    H    LYS 864           H        LYS  54  10.731   3.202  11.583
  359    HA   LYS 864           HA       LYS  54  10.825   2.618  14.490
  360    HB2  LYS 864           HB2      LYS  54  13.319   2.702  12.754
  361    HB3  LYS 864           HB3      LYS  54  13.224   2.481  14.474
  362    HG2  LYS 864           HG2      LYS  54  12.095   0.517  12.409
  363    HG3  LYS 864           HG3      LYS  54  13.605   0.321  13.220
  364    HD2  LYS 864           HD2      LYS  54  12.687  -0.181  15.294
  365    HD3  LYS 864           HD3      LYS  54  11.122   0.445  14.920
  366    HE2  LYS 864           HE2      LYS  54  10.648  -1.318  13.344
  367    HE3  LYS 864           HE3      LYS  54  12.320  -1.851  13.329
  368    HZ1  LYS 864           HZ1      LYS  54  11.978  -2.428  15.774
  369    HZ2  LYS 864           HZ2      LYS  54  11.115  -3.336  14.728
  370    HZ3  LYS 864           HZ3      LYS  54  10.364  -2.143  15.542
  371    H    GLU 865           H        GLU  55  11.857   4.232  15.793
  372    HA   GLU 865           HA       GLU  55  11.526   6.918  14.818
  373    HB2  GLU 865           HB2      GLU  55  12.002   7.583  17.064
  374    HB3  GLU 865           HB3      GLU  55  10.953   6.181  17.113
  375    HG2  GLU 865           HG2      GLU  55  13.064   4.797  17.572
  376    HG3  GLU 865           HG3      GLU  55  13.973   6.296  17.610
  377    H    ASP 866           H        ASP  56  13.957   4.948  14.064
  378    HA   ASP 866           HA       ASP  56  16.330   6.311  14.798
  379    HB2  ASP 866           HB2      ASP  56  15.958   3.885  14.145
  380    HB3  ASP 866           HB3      ASP  56  15.951   4.469  12.486
  381    H    HIS 867           H        HIS  57  13.966   7.045  12.492
  382    HA   HIS 867           HA       HIS  57  15.774   8.274  10.508
  383    HB2  HIS 867           HB2      HIS  57  14.009   7.845   9.016
  384    HB3  HIS 867           HB3      HIS  57  14.399   6.425   9.920
  385    HD1  HIS 867           HD1      HIS  57  11.774   9.084  11.217
  386    HD2  HIS 867           HD2      HIS  57  12.268   5.266   9.578
  387    HE1  HIS 867           HE1      HIS  57   9.425   8.248  10.689
  388    H    GLN 868           H        GLN  58  13.691   9.587   9.220
  389    HA   GLN 868           HA       GLN  58  12.468  11.666  10.825
  390    HB2  GLN 868           HB2      GLN  58  13.306  13.527   9.488
  391    HB3  GLN 868           HB3      GLN  58  14.617  12.745  10.347
  392    HG2  GLN 868           HG2      GLN  58  13.986  12.182   7.406
  393    HG3  GLN 868           HG3      GLN  58  15.080  13.449   7.938
  394   HE21  GLN 868          HE21      GLN  58  16.983  12.663   9.390
  395   HE22  GLN 868          HE22      GLN  58  17.630  11.093   8.939
  396    H    LEU 869           H        LEU  59  10.849  12.885   9.551
  397    HA   LEU 869           HA       LEU  59   9.684  11.292   7.287
  398    HB2  LEU 869           HB2      LEU  59   8.409  13.367   9.114
  399    HB3  LEU 869           HB3      LEU  59   7.608  12.374   7.895
  400    HG   LEU 869           HG       LEU  59   6.970  11.688  10.033
  401   HD11  LEU 869          HD11      LEU  59   7.426   9.305   9.925
  402   HD12  LEU 869          HD12      LEU  59   8.857   9.603   8.912
  403   HD13  LEU 869          HD13      LEU  59   7.213   9.949   8.302
  404   HD21  LEU 869          HD21      LEU  59   8.266  10.795  11.774
  405   HD22  LEU 869          HD22      LEU  59   8.955  12.376  11.372
  406   HD23  LEU 869          HD23      LEU  59   9.762  10.876  10.844
  407    H    GLU 870           H        GLU  60   8.745  12.485   5.520
  408    HA   GLU 870           HA       GLU  60  10.024  15.159   5.056
  409    HB2  GLU 870           HB2      GLU  60  10.629  13.259   3.537
  410    HB3  GLU 870           HB3      GLU  60   8.957  13.161   3.071
  411    HG2  GLU 870           HG2      GLU  60   9.928  14.297   1.382
  412    HG3  GLU 870           HG3      GLU  60   9.177  15.608   2.288
  413    HA   PRO 871           HA       PRO  61   5.697  16.566   5.191
  414    HB2  PRO 871           HB2      PRO  61   6.112  19.260   5.233
  415    HB3  PRO 871           HB3      PRO  61   6.326  18.225   6.663
  416    HG2  PRO 871           HG2      PRO  61   8.438  19.303   4.796
  417    HG3  PRO 871           HG3      PRO  61   8.495  19.172   6.576
  418    HD2  PRO 871           HD2      PRO  61   9.648  17.360   4.803
  419    HD3  PRO 871           HD3      PRO  61   9.155  16.931   6.460
  420    H    ILE 872           H        ILE  62   4.314  16.982   3.429
  421    HA   ILE 872           HA       ILE  62   5.517  18.207   0.974
  422    HB   ILE 872           HB       ILE  62   3.416  16.102   0.806
  423   HG12  ILE 872          HG12      ILE  62   5.261  14.971   2.080
  424   HG13  ILE 872          HG13      ILE  62   4.818  14.257   0.559
  425   HG21  ILE 872          HG21      ILE  62   4.341  15.799  -1.467
  426   HG22  ILE 872          HG22      ILE  62   5.580  17.029  -1.128
  427   HG23  ILE 872          HG23      ILE  62   3.873  17.474  -1.167
  428   HD11  ILE 872          HD11      ILE  62   7.197  16.123   0.854
  429   HD12  ILE 872          HD12      ILE  62   6.798  15.095  -0.537
  430   HD13  ILE 872          HD13      ILE  62   7.286  14.347   1.000
  431    H    TYR 873           H        TYR  63   4.496  19.944   0.363
  432    HA   TYR 873           HA       TYR  63   1.914  20.604   1.590
  433    HB2  TYR 873           HB2      TYR  63   4.126  22.300   0.399
  434    HB3  TYR 873           HB3      TYR  63   2.594  22.931   0.977
  435    HD1  TYR 873           HD1      TYR  63   1.960  22.836   3.370
  436    HD2  TYR 873           HD2      TYR  63   5.857  21.562   2.013
  437    HE1  TYR 873           HE1      TYR  63   2.801  22.945   5.701
  438    HE2  TYR 873           HE2      TYR  63   6.697  21.659   4.355
  439    HH   TYR 873           HH       TYR  63   4.634  22.717   7.094
  440    H    ARG 874           H        ARG  64   2.387  18.919  -0.852
  441    HA   ARG 874           HA       ARG  64   0.204  19.912  -2.483
  442    HB2  ARG 874           HB2      ARG  64   1.468  19.888  -4.616
  443    HB3  ARG 874           HB3      ARG  64   1.965  21.182  -3.534
  444    HG2  ARG 874           HG2      ARG  64   3.996  19.979  -2.901
  445    HG3  ARG 874           HG3      ARG  64   3.470  18.545  -3.802
  446    HD2  ARG 874           HD2      ARG  64   3.532  19.847  -5.901
  447    HD3  ARG 874           HD3      ARG  64   4.042  21.285  -4.989
  448    HE   ARG 874           HE       ARG  64   5.849  19.135  -4.447
  449   HH11  ARG 874          HH11      ARG  64   7.869  19.042  -5.357
  450   HH12  ARG 874          HH12      ARG  64   8.215  19.926  -6.813
  451   HH21  ARG 874          HH21      ARG  64   5.079  21.276  -7.115
  452   HH22  ARG 874          HH22      ARG  64   6.686  21.170  -7.782
  453    H1   ALA   1           H1       ALA  65   0.877   4.529   5.703
  454    H2   ALA   1           H2       ALA  65  -0.404   5.229   4.942
  455    H3   ALA   1           H3       ALA  65   1.116   5.551   4.427
  456    HA   ALA   1           HA       ALA  65   1.447   3.300   3.777
  457    HB1  ALA   1           HB1      ALA  65   0.010   2.067   5.223
  458    HB2  ALA   1           HB2      ALA  65  -0.630   1.850   3.602
  459    HB3  ALA   1           HB3      ALA  65  -1.430   2.999   4.707
  460    H    ARG   2           H        ARG  66   1.732   3.581   1.758
  461    HA   ARG   2           HA       ARG  66   0.193   4.996  -0.105
  462    HB2  ARG   2           HB2      ARG  66   1.516   4.008  -1.784
  463    HB3  ARG   2           HB3      ARG  66   2.533   4.211  -0.380
  464    HG2  ARG   2           HG2      ARG  66   1.412   1.628  -1.534
  465    HG3  ARG   2           HG3      ARG  66   3.089   2.120  -1.423
  466    HD2  ARG   2           HD2      ARG  66   3.049   1.872   1.020
  467    HD3  ARG   2           HD3      ARG  66   1.348   1.437   1.001
  468    HE   ARG   2           HE       ARG  66   3.584  -0.292   0.420
  469   HH11  ARG   2          HH11      ARG  66   0.120   0.078  -0.222
  470   HH12  ARG   2          HH12      ARG  66  -0.069  -1.641  -0.441
  471   HH21  ARG   2          HH21      ARG  66   3.250  -2.374   0.215
  472   HH22  ARG   2          HH22      ARG  66   1.678  -3.027  -0.214
  473    H    THR   3           H        THR  67  -1.694   4.759  -0.892
  474    HA   THR   3           HA       THR  67  -2.804   2.110  -1.714
  475    HB   THR   3           HB       THR  67  -5.066   3.050  -1.317
  476    HG1  THR   3           HG1      THR  67  -5.265   4.951  -0.153
  477   HG21  THR   3          HG21      THR  67  -3.942   1.679   0.466
  478   HG22  THR   3          HG22      THR  67  -5.107   2.857   1.097
  479   HG23  THR   3          HG23      THR  67  -3.371   3.192   1.217
  480   HH31  ALY   4           H26      ALY  68   2.170  13.046  -6.183
  481   HH32  ALY   4           H27      ALY  68   3.707  12.231  -5.802
  482   HH33  ALY   4           H28      ALY  68   2.421  12.311  -4.580
  483    HZ   ALY   4           HZ1      ALY  68   0.239  11.504  -5.553
  484    HE3  ALY   4           HE3      ALY  68  -1.025   9.865  -6.636
  485    HE2  ALY   4           HE2      ALY  68   0.445   9.138  -7.302
  486    HD3  ALY   4           HD3      ALY  68   1.007   8.188  -5.103
  487    HD2  ALY   4           HD2      ALY  68  -0.417   8.970  -4.383
  488    HG3  ALY   4           HG3      ALY  68  -1.915   7.654  -5.766
  489    HG2  ALY   4           HG2      ALY  68  -0.539   6.898  -6.605
  490    HB3  ALY   4           HB3      ALY  68   0.192   5.797  -4.562
  491    HB2  ALY   4           HB2      ALY  68  -0.932   6.720  -3.583
  492    HA   ALY   4           HA       ALY  68  -2.833   5.654  -4.913
  493    H    ALY   4           H        ALY  68  -1.100   4.300  -2.992
  494    H    GLN   5           H        GLN  69  -3.599   4.083  -6.334
  495    HA   GLN   5           HA       GLN  69  -1.997   2.097  -7.638
  496    HB2  GLN   5           HB2      GLN  69  -4.654   3.339  -8.443
  497    HB3  GLN   5           HB3      GLN  69  -3.915   1.922  -9.207
  498    HG2  GLN   5           HG2      GLN  69  -3.949   0.722  -7.023
  499    HG3  GLN   5           HG3      GLN  69  -4.784   2.094  -6.287
  500   HE21  GLN   5          HE21      GLN  69  -6.133  -0.167  -5.973
  501   HE22  GLN   5          HE22      GLN  69  -7.460  -0.287  -7.124
  502    H    THR   6           H        THR  70  -1.046   1.997  -9.656
  503    HA   THR   6           HA       THR  70  -0.050   4.485 -10.785
  504    HB   THR   6           HB       THR  70   1.287   2.384 -10.595
  505    HG1  THR   6           HG1      THR  70   2.103   3.913 -11.920
  506   HG21  THR   6          HG21      THR  70   1.149   0.686 -12.317
  507   HG22  THR   6          HG22      THR  70  -0.223   1.495 -13.094
  508   HG23  THR   6          HG23      THR  70  -0.417   0.759 -11.485
  509    H    ALA   7           H        ALA  71  -0.210   5.146 -13.036
  510    HA   ALA   7           HA       ALA  71  -2.934   5.172 -14.023
  511    HB1  ALA   7           HB1      ALA  71  -0.343   6.198 -15.254
  512    HB2  ALA   7           HB2      ALA  71  -1.437   7.121 -14.197
  513    HB3  ALA   7           HB3      ALA  71  -1.989   6.594 -15.799
  514    H    ARG   8           H        ARG  72  -3.731   4.378 -15.976
  515    HA   ARG   8           HA       ARG  72  -2.234   2.322 -17.507
  516    HB2  ARG   8           HB2      ARG  72  -4.924   1.835 -16.158
  517    HB3  ARG   8           HB3      ARG  72  -4.212   0.808 -17.403
  518    HG2  ARG   8           HG2      ARG  72  -2.231   0.402 -15.892
  519    HG3  ARG   8           HG3      ARG  72  -3.043   1.348 -14.638
  520    HD2  ARG   8           HD2      ARG  72  -3.443  -0.960 -14.164
  521    HD3  ARG   8           HD3      ARG  72  -4.964  -0.245 -14.723
  522    HE   ARG   8           HE       ARG  72  -3.505  -1.426 -16.919
  523   HH11  ARG   8          HH11      ARG  72  -5.484  -2.418 -14.198
  524   HH12  ARG   8          HH12      ARG  72  -5.956  -3.904 -14.979
  525   HH21  ARG   8          HH21      ARG  72  -4.169  -3.315 -17.856
  526   HH22  ARG   8          HH22      ARG  72  -5.225  -4.395 -16.996
  Start of MODEL    4
    1    H1   GLY 811           H1       GLY   1  -2.629  31.504   1.066
    2    H2   GLY 811           H2       GLY   1  -2.745  30.528   2.378
    3    H3   GLY 811           H3       GLY   1  -3.859  30.434   1.180
    4    HA2  GLY 811           HA2      GLY   1  -2.228  29.623  -0.392
    5    HA3  GLY 811           HA3      GLY   1  -0.991  29.748   0.871
    6    HA   PRO 812           HA       PRO   2  -3.451  25.671   0.827
    7    HB2  PRO 812           HB2      PRO   2  -2.000  23.963  -0.726
    8    HB3  PRO 812           HB3      PRO   2  -3.085  25.202  -1.420
    9    HG2  PRO 812           HG2      PRO   2  -0.089  25.424  -0.954
   10    HG3  PRO 812           HG3      PRO   2  -0.988  25.717  -2.481
   11    HD2  PRO 812           HD2      PRO   2  -0.335  27.762  -0.813
   12    HD3  PRO 812           HD3      PRO   2  -1.909  27.728  -1.662
   13    H    LEU 813           H        LEU   3  -0.305  26.442   1.814
   14    HA   LEU 813           HA       LEU   3   0.921  24.074   2.530
   15    HB2  LEU 813           HB2      LEU   3   1.965  26.255   2.461
   16    HB3  LEU 813           HB3      LEU   3   1.042  26.827   3.840
   17    HG   LEU 813           HG       LEU   3   2.766  24.397   4.269
   18   HD11  LEU 813          HD11      LEU   3   4.765  25.794   4.631
   19   HD12  LEU 813          HD12      LEU   3   3.891  27.207   3.991
   20   HD13  LEU 813          HD13      LEU   3   4.244  25.817   2.940
   21   HD21  LEU 813          HD21      LEU   3   2.324  26.941   5.914
   22   HD22  LEU 813          HD22      LEU   3   3.205  25.492   6.437
   23   HD23  LEU 813          HD23      LEU   3   1.461  25.416   6.166
   24    H    GLY 814           H        GLY   4  -1.627  25.645   4.387
   25    HA2  GLY 814           HA2      GLY   4  -1.311  23.836   6.712
   26    HA3  GLY 814           HA3      GLY   4  -2.451  25.162   6.542
   27    H    SER 815           H        SER   5  -2.788  23.366   3.732
   28    HA   SER 815           HA       SER   5  -4.903  21.601   4.790
   29    HB2  SER 815           HB2      SER   5  -5.400  23.782   2.733
   30    HB3  SER 815           HB3      SER   5  -6.599  22.639   3.345
   31    HG   SER 815           HG       SER   5  -6.448  23.603   5.388
   32    H    VAL 816           H        VAL   6  -2.289  21.170   3.197
   33    HA   VAL 816           HA       VAL   6  -2.825  20.531   0.516
   34    HB   VAL 816           HB       VAL   6  -0.874  19.287   2.501
   35   HG11  VAL 816          HG11      VAL   6  -0.748  19.407  -0.488
   36   HG12  VAL 816          HG12      VAL   6  -0.922  17.964   0.567
   37   HG13  VAL 816          HG13      VAL   6   0.575  18.900   0.610
   38   HG21  VAL 816          HG21      VAL   6  -0.385  21.637   0.620
   39   HG22  VAL 816          HG22      VAL   6   0.728  20.919   1.820
   40   HG23  VAL 816          HG23      VAL   6  -0.661  21.795   2.374
   41    H    GLN 817           H        GLN   7  -3.910  18.978  -0.462
   42    HA   GLN 817           HA       GLN   7  -4.844  16.644   1.110
   43    HB2  GLN 817           HB2      GLN   7  -6.372  16.319  -0.765
   44    HB3  GLN 817           HB3      GLN   7  -6.546  17.900  -0.007
   45    HG2  GLN 817           HG2      GLN   7  -6.354  18.915  -1.960
   46    HG3  GLN 817           HG3      GLN   7  -4.725  18.342  -2.137
   47   HE21  GLN 817          HE21      GLN   7  -7.997  16.673  -2.490
   48   HE22  GLN 817          HE22      GLN   7  -7.602  16.107  -4.098
   49    H    HIS 818           H        HIS   8  -3.930  14.683   0.938
   50    HA   HIS 818           HA       HIS   8  -2.547  13.998  -1.626
   51    HB2  HIS 818           HB2      HIS   8  -1.693  13.603   1.187
   52    HB3  HIS 818           HB3      HIS   8  -1.380  12.301   0.037
   53    HD2  HIS 818           HD2      HIS   8   0.064  15.537   1.085
   54    HE1  HIS 818           HE1      HIS   8   1.477  15.070  -2.913
   55    HE2  HIS 818           HE2      HIS   8   1.691  16.456  -0.823
   56    H    VAL 819           H        VAL   9  -4.595  13.559  -2.394
   57    HA   VAL 819           HA       VAL   9  -6.024  11.127  -1.862
   58    HB   VAL 819           HB       VAL   9  -5.731  12.743  -4.402
   59   HG11  VAL 819          HG11      VAL   9  -6.552  10.460  -4.894
   60   HG12  VAL 819          HG12      VAL   9  -7.858  11.654  -5.024
   61   HG13  VAL 819          HG13      VAL   9  -7.756  10.611  -3.590
   62   HG21  VAL 819          HG21      VAL   9  -7.843  12.675  -2.188
   63   HG22  VAL 819          HG22      VAL   9  -7.970  13.598  -3.701
   64   HG23  VAL 819          HG23      VAL   9  -6.734  14.016  -2.517
   65    H    GLY 820           H        GLY  10  -4.991   9.274  -1.653
   66    HA2  GLY 820           HA2      GLY  10  -3.866   7.419  -2.923
   67    HA3  GLY 820           HA3      GLY  10  -2.678   8.601  -3.432
   68    H    PHE 821           H        PHE  11  -3.106   9.579  -0.309
   69    HA   PHE 821           HA       PHE  11  -1.390   7.411   0.890
   70    HB2  PHE 821           HB2      PHE  11  -0.950  10.353   1.383
   71    HB3  PHE 821           HB3      PHE  11   0.040   9.021   1.938
   72    HD1  PHE 821           HD1      PHE  11   0.521   7.525  -0.672
   73    HD2  PHE 821           HD2      PHE  11   0.647  11.688   0.384
   74    HE1  PHE 821           HE1      PHE  11   1.931   7.990  -2.655
   75    HE2  PHE 821           HE2      PHE  11   1.970  12.167  -1.644
   76    HZ   PHE 821           HZ       PHE  11   2.596  10.364  -3.172
   77    H    LYS 822           H        LYS  12  -3.068   6.507   2.063
   78    HA   LYS 822           HA       LYS  12  -4.617   8.196   4.010
   79    HB2  LYS 822           HB2      LYS  12  -5.978   6.613   2.909
   80    HB3  LYS 822           HB3      LYS  12  -4.803   5.386   2.954
   81    HG2  LYS 822           HG2      LYS  12  -5.542   5.888   5.734
   82    HG3  LYS 822           HG3      LYS  12  -6.981   6.046   4.803
   83    HD2  LYS 822           HD2      LYS  12  -6.951   3.854   5.557
   84    HD3  LYS 822           HD3      LYS  12  -6.637   3.784   3.817
   85    HE2  LYS 822           HE2      LYS  12  -4.218   3.471   4.268
   86    HE3  LYS 822           HE3      LYS  12  -4.497   3.649   6.009
   87    HZ1  LYS 822           HZ1      LYS  12  -5.624   1.448   4.327
   88    HZ2  LYS 822           HZ2      LYS  12  -5.889   1.626   5.929
   89    HZ3  LYS 822           HZ3      LYS  12  -4.392   1.284   5.387
   90    H    CYS 823           H        CYS  13  -4.210   8.128   6.220
   91    HA   CYS 823           HA       CYS  13  -1.527   7.698   7.048
   92    HB2  CYS 823           HB2      CYS  13  -3.069   9.400   7.936
   93    HB3  CYS 823           HB3      CYS  13  -4.093   8.112   8.556
   94    H    ASP 824           H        ASP  14  -0.644   6.339   8.467
   95    HA   ASP 824           HA       ASP  14  -1.820   3.608   8.819
   96    HB2  ASP 824           HB2      ASP  14   1.002   4.675   9.174
   97    HB3  ASP 824           HB3      ASP  14   0.506   3.005   9.396
   98    H    ASN 825           H        ASN  15  -0.751   6.372  10.724
   99    HA   ASN 825           HA       ASN  15  -0.834   5.038  13.308
  100    HB2  ASN 825           HB2      ASN  15   0.225   7.246  13.066
  101    HB3  ASN 825           HB3      ASN  15  -1.364   7.954  12.645
  102   HD21  ASN 825          HD21      ASN  15  -1.418   9.385  14.394
  103   HD22  ASN 825          HD22      ASN  15  -1.540   8.811  16.068
  104    H    CYS 826           H        CYS  16  -3.340   7.158  11.771
  105    HA   CYS 826           HA       CYS  16  -5.312   6.022  13.664
  106    HB2  CYS 826           HB2      CYS  16  -6.285   8.110  13.805
  107    HB3  CYS 826           HB3      CYS  16  -4.560   8.445  13.834
  108    H    GLY 827           H        GLY  17  -4.610   5.997  10.328
  109    HA2  GLY 827           HA2      GLY  17  -5.566   4.586   8.796
  110    HA3  GLY 827           HA3      GLY  17  -6.952   4.352   9.829
  111    H    ILE 828           H        ILE  18  -6.328   7.689   9.540
  112    HA   ILE 828           HA       ILE  18  -8.701   8.171   8.152
  113    HB   ILE 828           HB       ILE  18  -7.772   9.750   9.718
  114   HG12  ILE 828          HG12      ILE  18  -7.860  11.075   6.984
  115   HG13  ILE 828          HG13      ILE  18  -9.290  10.464   7.761
  116   HG21  ILE 828          HG21      ILE  18  -5.595  10.334   7.638
  117   HG22  ILE 828          HG22      ILE  18  -5.342   9.515   9.175
  118   HG23  ILE 828          HG23      ILE  18  -5.881  11.173   9.177
  119   HD11  ILE 828          HD11      ILE  18  -8.866  11.963   9.719
  120   HD12  ILE 828          HD12      ILE  18  -9.153  12.820   8.194
  121   HD13  ILE 828          HD13      ILE  18  -7.504  12.685   8.830
  122    H    GLU 829           H        GLU  19  -9.203   8.693   6.177
  123    HA   GLU 829           HA       GLU  19  -7.831   7.720   3.914
  124    HB2  GLU 829           HB2      GLU  19  -9.442   9.493   2.813
  125    HB3  GLU 829           HB3      GLU  19  -9.987   7.917   3.268
  126    HG2  GLU 829           HG2      GLU  19 -10.253  10.362   5.089
  127    HG3  GLU 829           HG3      GLU  19 -11.441   9.981   3.854
  128    HA   PRO 830           HA       PRO  20  -4.948  10.201   1.828
  129    HB2  PRO 830           HB2      PRO  20  -7.466  11.708   1.118
  130    HB3  PRO 830           HB3      PRO  20  -6.035  11.330   0.124
  131    HG2  PRO 830           HG2      PRO  20  -8.400   9.838   0.391
  132    HG3  PRO 830           HG3      PRO  20  -6.917   9.293  -0.456
  133    HD2  PRO 830           HD2      PRO  20  -7.815   8.093   1.831
  134    HD3  PRO 830           HD3      PRO  20  -6.099   8.177   1.369
  135    H    ILE 831           H        ILE  21  -3.751  11.030   3.428
  136    HA   ILE 831           HA       ILE  21  -4.426  12.681   5.497
  137    HB   ILE 831           HB       ILE  21  -1.792  12.414   4.028
  138   HG12  ILE 831          HG12      ILE  21  -2.511  11.217   6.729
  139   HG13  ILE 831          HG13      ILE  21  -3.019  10.407   5.272
  140   HG21  ILE 831          HG21      ILE  21  -0.707  13.246   6.163
  141   HG22  ILE 831          HG22      ILE  21  -2.311  13.736   6.725
  142   HG23  ILE 831          HG23      ILE  21  -1.589  14.489   5.289
  143   HD11  ILE 831          HD11      ILE  21  -0.128  11.106   5.874
  144   HD12  ILE 831          HD12      ILE  21  -0.747  10.263   4.437
  145   HD13  ILE 831          HD13      ILE  21  -0.883   9.516   6.043
  146    H    GLN 832           H        GLN  22  -4.554  14.725   6.057
  147    HA   GLN 832           HA       GLN  22  -4.564  16.748   3.871
  148    HB2  GLN 832           HB2      GLN  22  -6.256  16.685   6.379
  149    HB3  GLN 832           HB3      GLN  22  -6.312  17.893   5.093
  150    HG2  GLN 832           HG2      GLN  22  -6.984  14.947   4.682
  151    HG3  GLN 832           HG3      GLN  22  -8.158  16.194   5.041
  152   HE21  GLN 832          HE21      GLN  22  -7.055  14.461   2.487
  153   HE22  GLN 832          HE22      GLN  22  -7.489  15.631   1.236
  154    H    GLY 833           H        GLY  23  -3.446  18.574   4.117
  155    HA2  GLY 833           HA2      GLY  23  -2.736  20.480   5.536
  156    HA3  GLY 833           HA3      GLY  23  -2.318  19.353   6.778
  157    H    VAL 834           H        VAL  24  -0.718  17.646   6.116
  158    HA   VAL 834           HA       VAL  24   1.277  18.320   4.109
  159    HB   VAL 834           HB       VAL  24   1.768  19.657   6.155
  160   HG11  VAL 834          HG11      VAL  24   2.501  18.682   8.200
  161   HG12  VAL 834          HG12      VAL  24   2.334  17.041   7.529
  162   HG13  VAL 834          HG13      VAL  24   0.884  18.060   7.811
  163   HG21  VAL 834          HG21      VAL  24   4.150  18.933   6.505
  164   HG22  VAL 834          HG22      VAL  24   3.713  19.081   4.810
  165   HG23  VAL 834          HG23      VAL  24   3.815  17.468   5.566
  166    H    ARG 835           H        ARG  25   2.220  16.395   3.352
  167    HA   ARG 835           HA       ARG  25   1.321  13.824   4.589
  168    HB2  ARG 835           HB2      ARG  25   1.459  14.006   2.113
  169    HB3  ARG 835           HB3      ARG  25   3.170  14.393   2.236
  170    HG2  ARG 835           HG2      ARG  25   3.257  12.000   3.490
  171    HG3  ARG 835           HG3      ARG  25   1.741  11.764   2.624
  172    HD2  ARG 835           HD2      ARG  25   3.006  12.410   0.496
  173    HD3  ARG 835           HD3      ARG  25   4.485  12.430   1.473
  174    HE   ARG 835           HE       ARG  25   3.174   9.928   1.914
  175   HH11  ARG 835          HH11      ARG  25   4.944  11.394  -0.763
  176   HH12  ARG 835          HH12      ARG  25   5.431   9.828  -1.342
  177   HH21  ARG 835          HH21      ARG  25   3.746   8.152   1.178
  178   HH22  ARG 835          HH22      ARG  25   4.766   7.963  -0.251
  179    H    TRP 836           H        TRP  26   2.559  12.748   6.114
  180    HA   TRP 836           HA       TRP  26   5.452  13.479   6.322
  181    HB2  TRP 836           HB2      TRP  26   3.677  12.145   8.389
  182    HB3  TRP 836           HB3      TRP  26   5.392  12.228   8.445
  183    HD1  TRP 836           HD1      TRP  26   2.475  14.649   8.784
  184    HE1  TRP 836           HE1      TRP  26   3.396  16.829   9.885
  185    HE3  TRP 836           HE3      TRP  26   7.457  13.831   8.231
  186    HZ2  TRP 836           HZ2      TRP  26   5.931  17.800  10.801
  187    HZ3  TRP 836           HZ3      TRP  26   9.123  15.268   9.366
  188    HH2  TRP 836           HH2      TRP  26   8.380  17.226  10.690
  189    H    HIS 837           H        HIS  27   6.397  12.369   4.821
  190    HA   HIS 837           HA       HIS  27   5.731   9.518   4.234
  191    HB2  HIS 837           HB2      HIS  27   6.062  10.955   2.311
  192    HB3  HIS 837           HB3      HIS  27   7.597  11.547   2.949
  193    HD2  HIS 837           HD2      HIS  27   9.657  10.433   1.892
  194    HE1  HIS 837           HE1      HIS  27   8.017   6.629   0.848
  195    HE2  HIS 837           HE2      HIS  27  10.106   8.091   0.764
  196    H    CYS 838           H        CYS  28   6.739   7.942   5.322
  197    HA   CYS 838           HA       CYS  28   8.887   8.334   7.131
  198    HB2  CYS 838           HB2      CYS  28   7.415   6.094   5.866
  199    HB3  CYS 838           HB3      CYS  28   9.041   5.732   6.495
  200    H    GLN 839           H        GLN  29  11.065   8.450   6.929
  201    HA   GLN 839           HA       GLN  29  12.165   8.579   4.241
  202    HB2  GLN 839           HB2      GLN  29  13.473   8.962   6.960
  203    HB3  GLN 839           HB3      GLN  29  14.247   9.250   5.413
  204    HG2  GLN 839           HG2      GLN  29  12.097  10.778   4.968
  205    HG3  GLN 839           HG3      GLN  29  12.008  10.803   6.719
  206   HE21  GLN 839          HE21      GLN  29  12.536  13.063   6.988
  207   HE22  GLN 839          HE22      GLN  29  14.026  13.730   6.356
  208    H    ASP 840           H        ASP  30  12.445   6.308   6.968
  209    HA   ASP 840           HA       ASP  30  14.680   4.889   5.578
  210    HB2  ASP 840           HB2      ASP  30  14.967   5.687   7.888
  211    HB3  ASP 840           HB3      ASP  30  13.627   4.668   8.397
  212    H    CYS 841           H        CYS  31  11.338   4.375   6.651
  213    HA   CYS 841           HA       CYS  31  11.261   1.577   6.208
  214    HB2  CYS 841           HB2      CYS  31   8.983   3.577   6.060
  215    HB3  CYS 841           HB3      CYS  31   8.849   1.837   6.165
  216    HA   PRO 842           HA       PRO  32  12.137   1.506   1.969
  217    HB2  PRO 842           HB2      PRO  32  11.332  -0.975   1.144
  218    HB3  PRO 842           HB3      PRO  32  12.638  -0.720   2.340
  219    HG2  PRO 842           HG2      PRO  32   9.710  -1.324   2.870
  220    HG3  PRO 842           HG3      PRO  32  11.142  -2.136   3.569
  221    HD2  PRO 842           HD2      PRO  32   9.829  -0.132   4.888
  222    HD3  PRO 842           HD3      PRO  32  11.589  -0.337   5.004
  223    HA   PRO 843           HA       PRO  33   8.970   2.933  -0.733
  224    HB2  PRO 843           HB2      PRO  33  10.032   1.012  -2.822
  225    HB3  PRO 843           HB3      PRO  33   9.601   2.742  -2.997
  226    HG2  PRO 843           HG2      PRO  33  12.183   2.046  -2.716
  227    HG3  PRO 843           HG3      PRO  33  11.541   3.421  -1.758
  228    HD2  PRO 843           HD2      PRO  33  11.997   0.563  -0.869
  229    HD3  PRO 843           HD3      PRO  33  12.403   2.096  -0.035
  230    H    GLU 844           H        GLU  34   9.305  -0.624  -0.816
  231    HA   GLU 844           HA       GLU  34   6.737  -1.375  -1.722
  232    HB2  GLU 844           HB2      GLU  34   8.673  -2.860  -1.464
  233    HB3  GLU 844           HB3      GLU  34   8.609  -2.693   0.298
  234    HG2  GLU 844           HG2      GLU  34   6.507  -3.885   0.410
  235    HG3  GLU 844           HG3      GLU  34   6.301  -3.802  -1.343
  236    H    MET 845           H        MET  35   7.744  -0.198   1.409
  237    HA   MET 845           HA       MET  35   4.997  -0.334   2.532
  238    HB2  MET 845           HB2      MET  35   7.635  -0.935   3.906
  239    HB3  MET 845           HB3      MET  35   6.201  -0.458   4.813
  240    HG2  MET 845           HG2      MET  35   6.293  -2.828   2.935
  241    HG3  MET 845           HG3      MET  35   6.562  -2.924   4.669
  242    HE1  MET 845           HE1      MET  35   4.387  -1.078   6.073
  243    HE2  MET 845           HE2      MET  35   4.804  -2.749   6.520
  244    HE3  MET 845           HE3      MET  35   3.109  -2.283   6.278
  245    H    SER 846           H        SER  36   5.679   1.693   0.921
  246    HA   SER 846           HA       SER  36   6.698   3.982   2.307
  247    HB2  SER 846           HB2      SER  36   4.616   3.830   0.092
  248    HB3  SER 846           HB3      SER  36   5.319   5.326   0.731
  249    HG   SER 846           HG       SER  36   6.631   3.226  -0.654
  250    H    LEU 847           H        LEU  37   6.062   4.184   4.287
  251    HA   LEU 847           HA       LEU  37   3.288   4.094   5.242
  252    HB2  LEU 847           HB2      LEU  37   6.063   4.180   6.442
  253    HB3  LEU 847           HB3      LEU  37   4.715   4.650   7.411
  254    HG   LEU 847           HG       LEU  37   4.449   2.021   5.866
  255   HD11  LEU 847          HD11      LEU  37   6.593   2.436   7.870
  256   HD12  LEU 847          HD12      LEU  37   6.654   1.724   6.276
  257   HD13  LEU 847          HD13      LEU  37   5.859   0.814   7.535
  258   HD21  LEU 847          HD21      LEU  37   2.697   2.160   7.271
  259   HD22  LEU 847          HD22      LEU  37   3.568   3.009   8.550
  260   HD23  LEU 847          HD23      LEU  37   3.791   1.244   8.274
  261    H    ASP 848           H        ASP  38   2.300   5.824   6.496
  262    HA   ASP 848           HA       ASP  38   3.229   8.532   5.808
  263    HB2  ASP 848           HB2      ASP  38   0.492   7.568   4.964
  264    HB3  ASP 848           HB3      ASP  38   1.233   9.138   4.689
  265    H    PHE 849           H        PHE  39   2.467  10.099   7.147
  266    HA   PHE 849           HA       PHE  39   0.260   9.460   9.029
  267    HB2  PHE 849           HB2      PHE  39   2.900  10.643   9.994
  268    HB3  PHE 849           HB3      PHE  39   1.505  10.200  10.913
  269    HD1  PHE 849           HD1      PHE  39   4.567   8.842   9.262
  270    HD2  PHE 849           HD2      PHE  39   0.824   7.854  11.141
  271    HE1  PHE 849           HE1      PHE  39   5.450   6.703   9.876
  272    HE2  PHE 849           HE2      PHE  39   1.721   5.597  11.744
  273    HZ   PHE 849           HZ       PHE  39   4.047   4.982  11.154
  274    H    CYS 850           H        CYS  40  -0.931  11.160   9.851
  275    HA   CYS 850           HA       CYS  40  -1.026  13.642   8.505
  276    HB2  CYS 850           HB2      CYS  40  -2.073  12.901  11.265
  277    HB3  CYS 850           HB3      CYS  40  -2.701  14.171  10.221
  278    H    ASP 851           H        ASP  41  -1.075  15.748   9.756
  279    HA   ASP 851           HA       ASP  41   1.499  16.578  10.503
  280    HB2  ASP 851           HB2      ASP  41   0.552  18.674  10.893
  281    HB3  ASP 851           HB3      ASP  41  -0.398  17.973   9.602
  282    H    SER 852           H        SER  42  -1.100  15.391  12.551
  283    HA   SER 852           HA       SER  42   0.368  15.882  15.044
  284    HB2  SER 852           HB2      SER  42  -2.085  16.216  14.939
  285    HB3  SER 852           HB3      SER  42  -2.281  14.504  14.519
  286    HG   SER 852           HG       SER  42  -1.371  15.631  16.980
  287    H    CYS 853           H        CYS  43  -0.546  13.125  12.955
  288    HA   CYS 853           HA       CYS  43   0.072  11.060  14.803
  289    HB2  CYS 853           HB2      CYS  43  -0.326  11.225  11.817
  290    HB3  CYS 853           HB3      CYS  43  -0.159   9.725  12.703
  291    H    SER 854           H        SER  44   1.943  12.791  12.404
  292    HA   SER 854           HA       SER  44   4.173  11.022  12.075
  293    HB2  SER 854           HB2      SER  44   5.264  13.022  11.242
  294    HB3  SER 854           HB3      SER  44   3.574  13.018  10.737
  295    HG   SER 854           HG       SER  44   4.135  15.061  11.558
  296    H    ASP 855           H        ASP  45   3.202  13.038  14.749
  297    HA   ASP 855           HA       ASP  45   5.794  12.879  16.105
  298    HB2  ASP 855           HB2      ASP  45   4.274  14.932  16.154
  299    HB3  ASP 855           HB3      ASP  45   3.190  13.996  17.183
  300    H    CYS 856           H        CYS  46   3.221  10.764  15.656
  301    HA   CYS 856           HA       CYS  46   2.952   9.749  18.344
  302    HB2  CYS 856           HB2      CYS  46   1.245   9.642  16.383
  303    HB3  CYS 856           HB3      CYS  46   2.226   8.316  15.752
  304    HG   CYS 856           HG       CYS  46   0.227   7.179  16.915
  305    H    LEU 857           H        LEU  47   5.214   9.209  15.837
  306    HA   LEU 857           HA       LEU  47   7.034   7.928  15.591
  307    HB2  LEU 857           HB2      LEU  47   7.510   9.324  17.573
  308    HB3  LEU 857           HB3      LEU  47   7.047   8.011  18.633
  309    HG   LEU 857           HG       LEU  47   8.900   6.649  18.004
  310   HD11  LEU 857          HD11      LEU  47  10.555   7.464  16.230
  311   HD12  LEU 857          HD12      LEU  47   9.316   8.607  15.713
  312   HD13  LEU 857          HD13      LEU  47   9.002   6.846  15.631
  313   HD21  LEU 857          HD21      LEU  47   9.422   8.516  19.526
  314   HD22  LEU 857          HD22      LEU  47   9.880   9.527  18.134
  315   HD23  LEU 857          HD23      LEU  47  10.816   8.065  18.536
  316    H    HIS 858           H        HIS  48   5.611   6.336  14.679
  317    HA   HIS 858           HA       HIS  48   4.873   4.055  16.347
  318    HB2  HIS 858           HB2      HIS  48   3.174   5.257  14.966
  319    HB3  HIS 858           HB3      HIS  48   4.074   4.810  13.517
  320    HD2  HIS 858           HD2      HIS  48   3.293   2.637  12.365
  321    HE1  HIS 858           HE1      HIS  48   1.230   0.781  15.609
  322    HE2  HIS 858           HE2      HIS  48   1.777   0.606  13.133
  323    H    GLU 859           H        GLU  49   4.951   1.887  15.600
  324    HA   GLU 859           HA       GLU  49   7.186   1.216  13.827
  325    HB2  GLU 859           HB2      GLU  49   7.095  -0.081  16.558
  326    HB3  GLU 859           HB3      GLU  49   8.361  -0.079  15.393
  327    HG2  GLU 859           HG2      GLU  49   8.669   2.409  15.796
  328    HG3  GLU 859           HG3      GLU  49   7.470   2.294  17.064
  329    H    THR 860           H        THR  50   7.050  -0.755  12.867
  330    HA   THR 860           HA       THR  50   4.839  -2.633  13.621
  331    HB   THR 860           HB       THR  50   4.219  -3.066  11.414
  332    HG1  THR 860           HG1      THR  50   5.281  -2.249   9.633
  333   HG21  THR 860          HG21      THR  50   3.121  -1.043  12.125
  334   HG22  THR 860          HG22      THR  50   3.544  -0.879  10.415
  335   HG23  THR 860          HG23      THR  50   4.478  -0.017  11.660
  336    H    ASP 861           H        ASP  51   5.870  -4.378  11.331
  337    HA   ASP 861           HA       ASP  51   8.064  -5.724  12.699
  338    HB2  ASP 861           HB2      ASP  51   6.703  -6.234  10.089
  339    HB3  ASP 861           HB3      ASP  51   7.934  -7.263  10.786
  340    H    ILE 862           H        ILE  52   7.577  -3.543  10.014
  341    HA   ILE 862           HA       ILE  52  10.460  -3.536   9.370
  342    HB   ILE 862           HB       ILE  52   8.082  -2.702   7.717
  343   HG12  ILE 862          HG12      ILE  52  10.183  -4.932   7.641
  344   HG13  ILE 862          HG13      ILE  52   8.446  -5.129   7.888
  345   HG21  ILE 862          HG21      ILE  52   9.842  -2.196   5.993
  346   HG22  ILE 862          HG22      ILE  52  11.073  -2.374   7.276
  347   HG23  ILE 862          HG23      ILE  52   9.858  -1.081   7.357
  348   HD11  ILE 862          HD11      ILE  52   8.941  -5.813   5.681
  349   HD12  ILE 862          HD12      ILE  52   9.851  -4.325   5.346
  350   HD13  ILE 862          HD13      ILE  52   8.073  -4.260   5.585
  351    H    HIS 863           H        HIS  53   7.644  -1.510  10.185
  352    HA   HIS 863           HA       HIS  53   9.134   0.953  10.066
  353    HB2  HIS 863           HB2      HIS  53   7.114   1.190   9.432
  354    HB3  HIS 863           HB3      HIS  53   6.278   0.138  10.367
  355    HD1  HIS 863           HD1      HIS  53   4.630   2.249  10.199
  356    HD2  HIS 863           HD2      HIS  53   8.318   2.969  11.950
  357    HE1  HIS 863           HE1      HIS  53   5.544   4.362   9.177
  358    H    LYS 864           H        LYS  54  10.251   1.979  11.606
  359    HA   LYS 864           HA       LYS  54   9.990   1.131  14.435
  360    HB2  LYS 864           HB2      LYS  54  12.651   1.205  12.973
  361    HB3  LYS 864           HB3      LYS  54  12.375   0.898  14.658
  362    HG2  LYS 864           HG2      LYS  54  11.362  -0.914  12.380
  363    HG3  LYS 864           HG3      LYS  54  12.796  -1.195  13.305
  364    HD2  LYS 864           HD2      LYS  54  11.581  -1.701  15.312
  365    HD3  LYS 864           HD3      LYS  54  10.113  -1.090  14.678
  366    HE2  LYS 864           HE2      LYS  54   9.918  -3.420  14.497
  367    HE3  LYS 864           HE3      LYS  54  10.136  -2.817  12.866
  368    HZ1  LYS 864           HZ1      LYS  54  12.516  -3.511  13.029
  369    HZ2  LYS 864           HZ2      LYS  54  11.519  -4.780  13.272
  370    HZ3  LYS 864           HZ3      LYS  54  12.261  -4.081  14.549
  371    H    GLU 865           H        GLU  55  10.963   2.556  15.978
  372    HA   GLU 865           HA       GLU  55  10.837   5.331  15.258
  373    HB2  GLU 865           HB2      GLU  55  11.164   5.737  17.602
  374    HB3  GLU 865           HB3      GLU  55  10.064   4.386  17.414
  375    HG2  GLU 865           HG2      GLU  55  12.091   2.867  17.850
  376    HG3  GLU 865           HG3      GLU  55  13.033   4.312  18.166
  377    H    ASP 866           H        ASP  56  13.234   3.346  14.489
  378    HA   ASP 866           HA       ASP  56  15.603   4.524  15.515
  379    HB2  ASP 866           HB2      ASP  56  15.175   2.186  14.606
  380    HB3  ASP 866           HB3      ASP  56  15.311   2.926  13.016
  381    H    HIS 867           H        HIS  57  13.441   5.567  13.116
  382    HA   HIS 867           HA       HIS  57  15.459   6.877  11.404
  383    HB2  HIS 867           HB2      HIS  57  13.813   6.680   9.740
  384    HB3  HIS 867           HB3      HIS  57  14.071   5.167  10.524
  385    HD1  HIS 867           HD1      HIS  57  11.457   7.841  11.797
  386    HD2  HIS 867           HD2      HIS  57  11.934   4.115   9.954
  387    HE1  HIS 867           HE1      HIS  57   9.134   7.161  11.001
  388    H    GLN 868           H        GLN  58  13.534   8.404  10.082
  389    HA   GLN 868           HA       GLN  58  12.321  10.420  11.773
  390    HB2  GLN 868           HB2      GLN  58  13.392  12.324  10.659
  391    HB3  GLN 868           HB3      GLN  58  14.560  11.379  11.559
  392    HG2  GLN 868           HG2      GLN  58  14.172  11.093   8.544
  393    HG3  GLN 868           HG3      GLN  58  15.289  12.239   9.274
  394   HE21  GLN 868          HE21      GLN  58  16.981  11.185  10.830
  395   HE22  GLN 868          HE22      GLN  58  17.573   9.616  10.291
  396    H    LEU 869           H        LEU  59  10.893  11.865  10.477
  397    HA   LEU 869           HA       LEU  59   9.806  10.531   8.024
  398    HB2  LEU 869           HB2      LEU  59   8.527  12.546   9.908
  399    HB3  LEU 869           HB3      LEU  59   7.759  11.706   8.565
  400    HG   LEU 869           HG       LEU  59   6.922  10.890  10.572
  401   HD11  LEU 869          HD11      LEU  59   7.283   8.487  10.318
  402   HD12  LEU 869          HD12      LEU  59   8.796   8.797   9.438
  403   HD13  LEU 869          HD13      LEU  59   7.224   9.264   8.745
  404   HD21  LEU 869          HD21      LEU  59   9.587   9.868  11.550
  405   HD22  LEU 869          HD22      LEU  59   8.016   9.827  12.352
  406   HD23  LEU 869          HD23      LEU  59   8.823  11.382  12.106
  407    H    GLU 870           H        GLU  60   9.060  11.901   6.311
  408    HA   GLU 870           HA       GLU  60  10.458  14.546   6.095
  409    HB2  GLU 870           HB2      GLU  60  11.317  12.866   4.576
  410    HB3  GLU 870           HB3      GLU  60   9.706  12.508   3.990
  411    HG2  GLU 870           HG2      GLU  60  10.901  13.774   2.399
  412    HG3  GLU 870           HG3      GLU  60   9.538  14.732   2.980
  413    HA   PRO 871           HA       PRO  61   6.144  15.977   5.817
  414    HB2  PRO 871           HB2      PRO  61   6.541  18.633   6.171
  415    HB3  PRO 871           HB3      PRO  61   6.665  17.454   7.504
  416    HG2  PRO 871           HG2      PRO  61   8.888  18.737   5.904
  417    HG3  PRO 871           HG3      PRO  61   8.816  18.437   7.666
  418    HD2  PRO 871           HD2      PRO  61  10.108  16.795   5.806
  419    HD3  PRO 871           HD3      PRO  61   9.536  16.241   7.391
  420    H    ILE 872           H        ILE  62   4.938  16.609   3.967
  421    HA   ILE 872           HA       ILE  62   6.370  18.126   1.831
  422    HB   ILE 872           HB       ILE  62   4.194  16.216   1.181
  423   HG12  ILE 872          HG12      ILE  62   7.037  15.485   1.891
  424   HG13  ILE 872          HG13      ILE  62   5.497  14.675   2.277
  425   HG21  ILE 872          HG21      ILE  62   5.250  16.372  -1.025
  426   HG22  ILE 872          HG22      ILE  62   6.654  17.219  -0.337
  427   HG23  ILE 872          HG23      ILE  62   5.069  18.005  -0.408
  428   HD11  ILE 872          HD11      ILE  62   5.318  14.092  -0.137
  429   HD12  ILE 872          HD12      ILE  62   6.721  13.362   0.711
  430   HD13  ILE 872          HD13      ILE  62   6.962  14.773  -0.348
  431    H    TYR 873           H        TYR  63   5.474  20.039   1.410
  432    HA   TYR 873           HA       TYR  63   2.921  20.701   2.698
  433    HB2  TYR 873           HB2      TYR  63   5.261  22.433   1.857
  434    HB3  TYR 873           HB3      TYR  63   3.783  23.014   2.602
  435    HD1  TYR 873           HD1      TYR  63   7.050  21.615   3.243
  436    HD2  TYR 873           HD2      TYR  63   3.109  22.165   4.925
  437    HE1  TYR 873           HE1      TYR  63   7.964  21.226   5.527
  438    HE2  TYR 873           HE2      TYR  63   4.031  21.796   7.202
  439    HH   TYR 873           HH       TYR  63   5.932  21.424   8.473
  440    H    ARG 874           H        ARG  64   3.343  19.427   0.046
  441    HA   ARG 874           HA       ARG  64   1.321  20.823  -1.494
  442    HB2  ARG 874           HB2      ARG  64   4.099  20.277  -2.651
  443    HB3  ARG 874           HB3      ARG  64   2.690  20.704  -3.612
  444    HG2  ARG 874           HG2      ARG  64   4.050  22.498  -1.560
  445    HG3  ARG 874           HG3      ARG  64   4.182  22.573  -3.305
  446    HD2  ARG 874           HD2      ARG  64   1.745  23.000  -3.523
  447    HD3  ARG 874           HD3      ARG  64   1.595  23.074  -1.773
  448    HE   ARG 874           HE       ARG  64   2.698  25.085  -3.579
  449   HH11  ARG 874          HH11      ARG  64   2.744  24.090  -0.202
  450   HH12  ARG 874          HH12      ARG  64   3.320  25.658   0.317
  451   HH21  ARG 874          HH21      ARG  64   3.373  27.033  -2.832
  452   HH22  ARG 874          HH22      ARG  64   3.627  27.295  -1.133
  453    H1   ALA   1           H1       ALA  65  -0.866   5.170   4.417
  454    H2   ALA   1           H2       ALA  65   0.738   5.316   4.100
  455    H3   ALA   1           H3       ALA  65   0.212   4.236   5.230
  456    HA   ALA   1           HA       ALA  65   0.830   3.085   3.269
  457    HB1  ALA   1           HB1      ALA  65  -0.965   2.000   4.453
  458    HB2  ALA   1           HB2      ALA  65  -1.370   1.955   2.740
  459    HB3  ALA   1           HB3      ALA  65  -2.161   3.144   3.796
  460    H    ARG   2           H        ARG  66   1.481   3.630   1.364
  461    HA   ARG   2           HA       ARG  66   0.257   5.342  -0.512
  462    HB2  ARG   2           HB2      ARG  66   1.843   4.552  -2.084
  463    HB3  ARG   2           HB3      ARG  66   2.626   4.608  -0.526
  464    HG2  ARG   2           HG2      ARG  66   1.762   2.155  -2.109
  465    HG3  ARG   2           HG3      ARG  66   3.389   2.662  -1.724
  466    HD2  ARG   2           HD2      ARG  66   3.066   2.115   0.651
  467    HD3  ARG   2           HD3      ARG  66   1.384   1.671   0.360
  468    HE   ARG   2           HE       ARG  66   3.721   0.034  -0.136
  469   HH11  ARG   2          HH11      ARG  66   3.473  -1.998  -0.662
  470   HH12  ARG   2          HH12      ARG  66   1.989  -2.600  -1.373
  471   HH21  ARG   2          HH21      ARG  66   0.253  -1.209  -1.658
  472   HH22  ARG   2          HH22      ARG  66   0.371   0.471  -1.208
  473    H    THR   3           H        THR  67  -1.527   5.234  -1.529
  474    HA   THR   3           HA       THR  67  -2.452   2.766  -2.924
  475    HB   THR   3           HB       THR  67  -4.761   3.302  -2.490
  476    HG1  THR   3           HG1      THR  67  -4.911   5.442  -2.328
  477   HG21  THR   3          HG21      THR  67  -4.976   2.929  -0.135
  478   HG22  THR   3          HG22      THR  67  -3.356   3.569   0.192
  479   HG23  THR   3          HG23      THR  67  -3.544   2.030  -0.686
  480   HH31  ALY   4           H26      ALY  68  -3.252  13.803  -5.481
  481   HH32  ALY   4           H27      ALY  68  -2.030  15.056  -5.167
  482   HH33  ALY   4           H28      ALY  68  -2.340  13.791  -3.958
  483    HZ   ALY   4           HZ1      ALY  68  -2.308  11.512  -5.121
  484    HE3  ALY   4           HE3      ALY  68  -0.662  10.640  -7.122
  485    HE2  ALY   4           HE2      ALY  68   0.486  11.083  -5.839
  486    HD3  ALY   4           HD3      ALY  68  -0.783   9.666  -4.235
  487    HD2  ALY   4           HD2      ALY  68  -1.857   9.162  -5.563
  488    HG3  ALY   4           HG3      ALY  68   0.097   8.178  -6.745
  489    HG2  ALY   4           HG2      ALY  68   1.152   8.727  -5.442
  490    HB3  ALY   4           HB3      ALY  68   0.784   6.447  -4.980
  491    HB2  ALY   4           HB2      ALY  68  -0.185   7.350  -3.825
  492    HA   ALY   4           HA       ALY  68  -2.212   6.918  -5.268
  493    H    ALY   4           H        ALY  68  -0.705   4.966  -3.725
  494    H    GLN   5           H        GLN  69  -3.224   5.123  -6.557
  495    HA   GLN   5           HA       GLN  69  -1.775   3.610  -8.470
  496    HB2  GLN   5           HB2      GLN  69  -4.022   3.066  -7.607
  497    HB3  GLN   5           HB3      GLN  69  -4.690   4.485  -8.402
  498    HG2  GLN   5           HG2      GLN  69  -5.258   2.502  -9.657
  499    HG3  GLN   5           HG3      GLN  69  -4.202   3.515 -10.620
  500   HE21  GLN   5          HE21      GLN  69  -3.948   1.409 -11.867
  501   HE22  GLN   5          HE22      GLN  69  -2.738   0.277 -11.283
  502    H    THR   6           H        THR  70  -3.031   6.892  -8.725
  503    HA   THR   6           HA       THR  70  -3.050   8.468 -10.363
  504    HB   THR   6           HB       THR  70  -0.509   7.212 -11.425
  505    HG1  THR   6           HG1      THR  70  -0.290   7.383  -9.213
  506   HG21  THR   6          HG21      THR  70   0.150   9.574 -11.759
  507   HG22  THR   6          HG22      THR  70  -1.433  10.115 -11.166
  508   HG23  THR   6          HG23      THR  70  -1.304   9.212 -12.689
  509    H    ALA   7           H        ALA  71  -4.901   6.710 -10.917
  510    HA   ALA   7           HA       ALA  71  -4.762   5.449 -13.500
  511    HB1  ALA   7           HB1      ALA  71  -7.174   5.085 -13.147
  512    HB2  ALA   7           HB2      ALA  71  -7.160   6.220 -11.779
  513    HB3  ALA   7           HB3      ALA  71  -6.253   4.693 -11.683
  514    H    ARG   8           H        ARG  72  -5.961   5.961 -15.391
  515    HA   ARG   8           HA       ARG  72  -5.842   8.701 -16.298
  516    HB2  ARG   8           HB2      ARG  72  -5.419   6.717 -17.732
  517    HB3  ARG   8           HB3      ARG  72  -7.122   6.256 -17.586
  518    HG2  ARG   8           HG2      ARG  72  -7.798   8.359 -18.707
  519    HG3  ARG   8           HG3      ARG  72  -6.096   8.871 -18.787
  520    HD2  ARG   8           HD2      ARG  72  -5.576   6.921 -20.201
  521    HD3  ARG   8           HD3      ARG  72  -7.271   6.397 -20.121
  522    HE   ARG   8           HE       ARG  72  -7.199   9.082 -21.063
  523   HH11  ARG   8          HH11      ARG  72  -6.325   5.900 -22.244
  524   HH12  ARG   8          HH12      ARG  72  -6.573   6.347 -23.910
  525   HH21  ARG   8          HH21      ARG  72  -7.465   9.596 -23.200
  526   HH22  ARG   8          HH22      ARG  72  -7.182   8.398 -24.435
  Start of MODEL    5
    1    H1   GLY 811           H1       GLY   1  -1.851  30.843   1.589
    2    H2   GLY 811           H2       GLY   1  -0.452  31.654   1.336
    3    H3   GLY 811           H3       GLY   1  -0.665  30.806   2.719
    4    HA2  GLY 811           HA2      GLY   1  -0.466  29.660  -0.002
    5    HA3  GLY 811           HA3      GLY   1   0.815  29.606   1.223
    6    HA   PRO 812           HA       PRO   2  -1.903  25.806   1.197
    7    HB2  PRO 812           HB2      PRO   2   0.798  24.454   1.108
    8    HB3  PRO 812           HB3      PRO   2  -0.718  23.985   0.284
    9    HG2  PRO 812           HG2      PRO   2   1.218  25.259  -1.106
   10    HG3  PRO 812           HG3      PRO   2  -0.480  25.811  -1.288
   11    HD2  PRO 812           HD2      PRO   2   1.682  26.959   0.510
   12    HD3  PRO 812           HD3      PRO   2   0.621  27.811  -0.644
   13    H    LEU 813           H        LEU   3   0.682  26.668   3.286
   14    HA   LEU 813           HA       LEU   3   0.992  24.594   5.047
   15    HB2  LEU 813           HB2      LEU   3   2.379  26.559   5.079
   16    HB3  LEU 813           HB3      LEU   3   1.014  27.583   5.518
   17    HG   LEU 813           HG       LEU   3   0.905  26.537   7.761
   18   HD11  LEU 813          HD11      LEU   3   3.414  25.045   6.875
   19   HD12  LEU 813          HD12      LEU   3   1.845  24.307   7.279
   20   HD13  LEU 813          HD13      LEU   3   2.785  25.118   8.529
   21   HD21  LEU 813          HD21      LEU   3   3.676  27.548   7.003
   22   HD22  LEU 813          HD22      LEU   3   2.970  27.529   8.634
   23   HD23  LEU 813          HD23      LEU   3   2.264  28.562   7.375
   24    H    GLY 814           H        GLY   4  -0.304  23.424   6.276
   25    HA2  GLY 814           HA2      GLY   4  -1.757  22.991   8.069
   26    HA3  GLY 814           HA3      GLY   4  -2.388  24.636   7.998
   27    H    SER 815           H        SER   5  -2.484  23.693   4.863
   28    HA   SER 815           HA       SER   5  -5.080  22.289   4.929
   29    HB2  SER 815           HB2      SER   5  -4.406  24.783   3.325
   30    HB3  SER 815           HB3      SER   5  -5.921  23.869   3.225
   31    HG   SER 815           HG       SER   5  -6.110  25.694   4.611
   32    H    VAL 816           H        VAL   6  -2.132  21.624   4.122
   33    HA   VAL 816           HA       VAL   6  -1.909  21.421   1.318
   34    HB   VAL 816           HB       VAL   6  -0.597  19.823   3.561
   35   HG11  VAL 816          HG11      VAL   6   0.425  20.419   0.797
   36   HG12  VAL 816          HG12      VAL   6  -0.139  18.843   1.430
   37   HG13  VAL 816          HG13      VAL   6   1.313  19.604   2.106
   38   HG21  VAL 816          HG21      VAL   6  -0.330  22.329   3.857
   39   HG22  VAL 816          HG22      VAL   6   0.434  22.362   2.256
   40   HG23  VAL 816          HG23      VAL   6   1.148  21.444   3.616
   41    H    GLN 817           H        GLN   7  -2.675  20.020  -0.113
   42    HA   GLN 817           HA       GLN   7  -4.062  17.563   0.875
   43    HB2  GLN 817           HB2      GLN   7  -5.181  17.655  -1.321
   44    HB3  GLN 817           HB3      GLN   7  -5.548  18.998  -0.239
   45    HG2  GLN 817           HG2      GLN   7  -4.979  20.523  -1.733
   46    HG3  GLN 817           HG3      GLN   7  -3.374  19.863  -1.892
   47   HE21  GLN 817          HE21      GLN   7  -3.119  17.950  -3.350
   48   HE22  GLN 817          HE22      GLN   7  -4.081  17.950  -4.843
   49    H    HIS 818           H        HIS   8  -3.017  15.663   0.660
   50    HA   HIS 818           HA       HIS   8  -1.008  15.423  -1.552
   51    HB2  HIS 818           HB2      HIS   8  -0.896  14.727   1.306
   52    HB3  HIS 818           HB3      HIS   8  -0.340  13.479   0.210
   53    HD2  HIS 818           HD2      HIS   8   0.748  16.735   1.648
   54    HE1  HIS 818           HE1      HIS   8   3.300  16.214  -1.711
   55    HE2  HIS 818           HE2      HIS   8   2.806  17.693   0.270
   56    H    VAL 819           H        VAL   9  -2.880  15.152  -2.848
   57    HA   VAL 819           HA       VAL   9  -4.324  12.702  -3.072
   58    HB   VAL 819           HB       VAL   9  -3.491  14.736  -5.148
   59   HG11  VAL 819          HG11      VAL   9  -4.028  12.574  -6.257
   60   HG12  VAL 819          HG12      VAL   9  -5.300  13.774  -6.520
   61   HG13  VAL 819          HG13      VAL   9  -5.545  12.482  -5.328
   62   HG21  VAL 819          HG21      VAL   9  -5.886  15.422  -4.893
   63   HG22  VAL 819          HG22      VAL   9  -5.011  15.601  -3.375
   64   HG23  VAL 819          HG23      VAL   9  -6.086  14.211  -3.607
   65    H    GLY 820           H        GLY  10  -3.612  10.720  -3.347
   66    HA2  GLY 820           HA2      GLY  10  -2.257   9.026  -4.302
   67    HA3  GLY 820           HA3      GLY  10  -0.993  10.207  -4.641
   68    H    PHE 821           H        PHE  11  -1.960  10.767  -1.422
   69    HA   PHE 821           HA       PHE  11  -0.219   8.592  -0.324
   70    HB2  PHE 821           HB2      PHE  11  -0.064  11.436   0.620
   71    HB3  PHE 821           HB3      PHE  11   0.951  10.080   1.061
   72    HD1  PHE 821           HD1      PHE  11   0.035  12.338  -1.763
   73    HD2  PHE 821           HD2      PHE  11   3.041   9.859   0.045
   74    HE1  PHE 821           HE1      PHE  11   1.712  13.288  -3.301
   75    HE2  PHE 821           HE2      PHE  11   4.701  10.678  -1.642
   76    HZ   PHE 821           HZ       PHE  11   4.059  12.548  -3.167
   77    H    LYS 822           H        LYS  12  -1.957   7.480   0.396
   78    HA   LYS 822           HA       LYS  12  -3.880   8.629   2.366
   79    HB2  LYS 822           HB2      LYS  12  -5.022   7.276   1.083
   80    HB3  LYS 822           HB3      LYS  12  -3.720   6.269   0.635
   81    HG2  LYS 822           HG2      LYS  12  -4.928   6.051   3.457
   82    HG3  LYS 822           HG3      LYS  12  -5.736   5.424   2.074
   83    HD2  LYS 822           HD2      LYS  12  -3.621   4.100   1.468
   84    HD3  LYS 822           HD3      LYS  12  -2.952   4.621   3.031
   85    HE2  LYS 822           HE2      LYS  12  -4.859   3.552   4.196
   86    HE3  LYS 822           HE3      LYS  12  -5.543   3.063   2.634
   87    HZ1  LYS 822           HZ1      LYS  12  -4.323   1.231   3.646
   88    HZ2  LYS 822           HZ2      LYS  12  -2.943   2.095   3.729
   89    HZ3  LYS 822           HZ3      LYS  12  -3.572   1.658   2.269
   90    H    CYS 823           H        CYS  13  -3.892   8.131   4.520
   91    HA   CYS 823           HA       CYS  13  -1.347   7.802   5.804
   92    HB2  CYS 823           HB2      CYS  13  -3.172   9.250   6.602
   93    HB3  CYS 823           HB3      CYS  13  -4.181   7.829   6.813
   94    H    ASP 824           H        ASP  14  -0.662   6.304   7.165
   95    HA   ASP 824           HA       ASP  14  -1.595   3.467   6.855
   96    HB2  ASP 824           HB2      ASP  14   1.005   4.731   7.787
   97    HB3  ASP 824           HB3      ASP  14   0.642   3.027   7.973
   98    H    ASN 825           H        ASN  15  -1.335   6.019   9.243
   99    HA   ASN 825           HA       ASN  15  -1.573   4.278  11.570
  100    HB2  ASN 825           HB2      ASN  15  -0.663   6.590  11.726
  101    HB3  ASN 825           HB3      ASN  15  -2.278   7.215  11.298
  102   HD21  ASN 825          HD21      ASN  15  -2.616   8.289  13.266
  103   HD22  ASN 825          HD22      ASN  15  -2.822   7.393  14.784
  104    H    CYS 826           H        CYS  16  -3.979   6.462   9.973
  105    HA   CYS 826           HA       CYS  16  -6.140   4.885  11.229
  106    HB2  CYS 826           HB2      CYS  16  -7.352   6.848  11.431
  107    HB3  CYS 826           HB3      CYS  16  -5.716   7.297  11.901
  108    H    GLY 827           H        GLY  17  -4.842   5.512   8.100
  109    HA2  GLY 827           HA2      GLY  17  -5.352   4.267   6.244
  110    HA3  GLY 827           HA3      GLY  17  -6.880   3.789   6.934
  111    H    ILE 828           H        ILE  18  -6.529   7.150   7.265
  112    HA   ILE 828           HA       ILE  18  -8.632   7.731   5.515
  113    HB   ILE 828           HB       ILE  18  -8.110   9.082   7.457
  114   HG12  ILE 828          HG12      ILE  18  -7.827  10.851   5.010
  115   HG13  ILE 828          HG13      ILE  18  -9.317  10.044   5.386
  116   HG21  ILE 828          HG21      ILE  18  -5.626   9.068   7.360
  117   HG22  ILE 828          HG22      ILE  18  -6.281  10.681   7.466
  118   HG23  ILE 828          HG23      ILE  18  -5.651  10.085   5.919
  119   HD11  ILE 828          HD11      ILE  18  -9.459  12.287   6.229
  120   HD12  ILE 828          HD12      ILE  18  -7.947  12.124   7.134
  121   HD13  ILE 828          HD13      ILE  18  -9.383  11.187   7.612
  122    H    GLU 829           H        GLU  19  -8.781   8.596   3.586
  123    HA   GLU 829           HA       GLU  19  -6.920   8.061   1.528
  124    HB2  GLU 829           HB2      GLU  19  -8.439   9.942   0.426
  125    HB3  GLU 829           HB3      GLU  19  -8.926   8.291   0.484
  126    HG2  GLU 829           HG2      GLU  19  -9.748  10.353   2.588
  127    HG3  GLU 829           HG3      GLU  19 -10.635  10.118   1.090
  128    HA   PRO 830           HA       PRO  20  -3.977  11.126   0.461
  129    HB2  PRO 830           HB2      PRO  20  -6.495  12.609  -0.385
  130    HB3  PRO 830           HB3      PRO  20  -4.873  12.588  -1.136
  131    HG2  PRO 830           HG2      PRO  20  -7.009  10.898  -1.706
  132    HG3  PRO 830           HG3      PRO  20  -5.325  10.630  -2.248
  133    HD2  PRO 830           HD2      PRO  20  -6.615   8.941  -0.489
  134    HD3  PRO 830           HD3      PRO  20  -4.851   9.150  -0.575
  135    H    ILE 831           H        ILE  21  -3.125  11.675   2.354
  136    HA   ILE 831           HA       ILE  21  -4.289  12.871   4.536
  137    HB   ILE 831           HB       ILE  21  -1.422  12.948   3.555
  138   HG12  ILE 831          HG12      ILE  21  -2.536  11.295   5.855
  139   HG13  ILE 831          HG13      ILE  21  -2.710  10.718   4.218
  140   HG21  ILE 831          HG21      ILE  21  -2.495  13.814   6.270
  141   HG22  ILE 831          HG22      ILE  21  -1.570  14.796   5.119
  142   HG23  ILE 831          HG23      ILE  21  -0.792  13.464   5.959
  143   HD11  ILE 831          HD11      ILE  21  -0.695   9.796   5.253
  144   HD12  ILE 831          HD12      ILE  21  -0.035  11.422   5.463
  145   HD13  ILE 831          HD13      ILE  21  -0.310  10.787   3.828
  146    H    GLN 832           H        GLN  22  -4.687  14.771   5.388
  147    HA   GLN 832           HA       GLN  22  -4.391  17.150   3.628
  148    HB2  GLN 832           HB2      GLN  22  -6.537  16.617   5.685
  149    HB3  GLN 832           HB3      GLN  22  -6.400  18.021   4.620
  150    HG2  GLN 832           HG2      GLN  22  -6.804  15.171   3.609
  151    HG3  GLN 832           HG3      GLN  22  -8.096  16.312   3.907
  152   HE21  GLN 832          HE21      GLN  22  -6.429  15.053   1.401
  153   HE22  GLN 832          HE22      GLN  22  -6.637  16.413   0.288
  154    H    GLY 833           H        GLY  23  -3.520  18.961   4.401
  155    HA2  GLY 833           HA2      GLY  23  -3.263  20.602   6.199
  156    HA3  GLY 833           HA3      GLY  23  -2.972  19.307   7.317
  157    H    VAL 834           H        VAL  24  -1.153  17.826   6.598
  158    HA   VAL 834           HA       VAL  24   1.153  18.891   5.215
  159    HB   VAL 834           HB       VAL  24   1.162  19.884   7.498
  160   HG11  VAL 834          HG11      VAL  24   1.556  18.619   9.479
  161   HG12  VAL 834          HG12      VAL  24   1.559  17.098   8.550
  162   HG13  VAL 834          HG13      VAL  24   0.060  18.066   8.698
  163   HG21  VAL 834          HG21      VAL  24   3.410  17.884   7.053
  164   HG22  VAL 834          HG22      VAL  24   3.462  19.256   8.174
  165   HG23  VAL 834          HG23      VAL  24   3.339  19.564   6.444
  166    H    ARG 835           H        ARG  25   2.353  17.078   4.410
  167    HA   ARG 835           HA       ARG  25   1.281  14.356   5.103
  168    HB2  ARG 835           HB2      ARG  25   1.499  14.521   2.802
  169    HB3  ARG 835           HB3      ARG  25   2.990  15.448   2.880
  170    HG2  ARG 835           HG2      ARG  25   4.227  13.418   3.596
  171    HG3  ARG 835           HG3      ARG  25   2.729  12.472   3.458
  172    HD2  ARG 835           HD2      ARG  25   2.639  12.867   1.075
  173    HD3  ARG 835           HD3      ARG  25   3.914  14.087   1.176
  174    HE   ARG 835           HE       ARG  25   4.439  11.234   1.957
  175   HH11  ARG 835          HH11      ARG  25   5.193  13.831  -0.301
  176   HH12  ARG 835          HH12      ARG  25   6.646  13.050  -0.849
  177   HH21  ARG 835          HH21      ARG  25   6.301  10.301   1.198
  178   HH22  ARG 835          HH22      ARG  25   7.207  11.060  -0.073
  179    H    TRP 836           H        TRP  26   2.751  12.677   5.811
  180    HA   TRP 836           HA       TRP  26   5.223  13.684   7.160
  181    HB2  TRP 836           HB2      TRP  26   3.083  12.099   8.587
  182    HB3  TRP 836           HB3      TRP  26   4.735  12.109   9.050
  183    HD1  TRP 836           HD1      TRP  26   1.786  14.381   9.153
  184    HE1  TRP 836           HE1      TRP  26   2.357  16.379  10.753
  185    HE3  TRP 836           HE3      TRP  26   6.800  13.753   9.457
  186    HZ2  TRP 836           HZ2      TRP  26   4.630  17.190  12.312
  187    HZ3  TRP 836           HZ3      TRP  26   8.152  14.980  11.120
  188    HH2  TRP 836           HH2      TRP  26   7.076  16.664  12.600
  189    H    HIS 837           H        HIS  27   6.527  12.823   5.682
  190    HA   HIS 837           HA       HIS  27   6.192   9.979   4.800
  191    HB2  HIS 837           HB2      HIS  27   6.723  11.730   3.146
  192    HB3  HIS 837           HB3      HIS  27   8.171  12.168   4.035
  193    HD2  HIS 837           HD2      HIS  27  10.335  11.109   3.130
  194    HE1  HIS 837           HE1      HIS  27   8.755   7.590   1.321
  195    HE2  HIS 837           HE2      HIS  27  10.872   8.938   1.740
  196    H    CYS 838           H        CYS  28   7.380   8.261   5.791
  197    HA   CYS 838           HA       CYS  28   9.266   8.965   7.891
  198    HB2  CYS 838           HB2      CYS  28   7.758   7.096   7.968
  199    HB3  CYS 838           HB3      CYS  28   8.705   6.350   6.656
  200    H    GLN 839           H        GLN  29  11.304   9.182   7.883
  201    HA   GLN 839           HA       GLN  29  12.613   9.732   5.368
  202    HB2  GLN 839           HB2      GLN  29  13.652   9.769   8.221
  203    HB3  GLN 839           HB3      GLN  29  14.522  10.383   6.810
  204    HG2  GLN 839           HG2      GLN  29  12.421  11.827   6.350
  205    HG3  GLN 839           HG3      GLN  29  11.924  11.455   7.992
  206   HE21  GLN 839          HE21      GLN  29  12.112  13.609   8.846
  207   HE22  GLN 839          HE22      GLN  29  13.586  14.538   8.683
  208    H    ASP 840           H        ASP  30  12.877   7.084   7.747
  209    HA   ASP 840           HA       ASP  30  15.167   5.926   6.226
  210    HB2  ASP 840           HB2      ASP  30  15.168   6.285   8.748
  211    HB3  ASP 840           HB3      ASP  30  13.849   5.193   8.780
  212    H    CYS 841           H        CYS  31  11.700   5.288   6.830
  213    HA   CYS 841           HA       CYS  31  11.683   2.555   6.007
  214    HB2  CYS 841           HB2      CYS  31   9.539   4.690   5.922
  215    HB3  CYS 841           HB3      CYS  31   9.298   3.106   5.264
  216    HA   PRO 842           HA       PRO  32  12.747   2.961   1.783
  217    HB2  PRO 842           HB2      PRO  32  11.987   0.594   0.676
  218    HB3  PRO 842           HB3      PRO  32  13.209   0.695   1.981
  219    HG2  PRO 842           HG2      PRO  32  10.239   0.094   2.263
  220    HG3  PRO 842           HG3      PRO  32  11.624  -0.819   2.945
  221    HD2  PRO 842           HD2      PRO  32  10.244   1.082   4.375
  222    HD3  PRO 842           HD3      PRO  32  11.987   0.791   4.603
  223    HA   PRO 843           HA       PRO  33   9.438   4.671  -0.702
  224    HB2  PRO 843           HB2      PRO  33  10.842   3.308  -3.019
  225    HB3  PRO 843           HB3      PRO  33  10.192   4.971  -2.922
  226    HG2  PRO 843           HG2      PRO  33  12.839   4.565  -2.598
  227    HG3  PRO 843           HG3      PRO  33  11.976   5.640  -1.442
  228    HD2  PRO 843           HD2      PRO  33  12.740   2.727  -1.079
  229    HD3  PRO 843           HD3      PRO  33  12.939   4.112   0.041
  230    H    GLU 844           H        GLU  34  10.223   1.253  -1.289
  231    HA   GLU 844           HA       GLU  34   7.871   0.413  -2.603
  232    HB2  GLU 844           HB2      GLU  34   9.917  -0.913  -2.367
  233    HB3  GLU 844           HB3      GLU  34   9.646  -1.076  -0.621
  234    HG2  GLU 844           HG2      GLU  34   7.678  -2.444  -0.989
  235    HG3  GLU 844           HG3      GLU  34   7.653  -2.048  -2.709
  236    H    MET 845           H        MET  35   8.427   0.954   0.838
  237    HA   MET 845           HA       MET  35   5.654   0.142   1.563
  238    HB2  MET 845           HB2      MET  35   8.009   1.109   3.208
  239    HB3  MET 845           HB3      MET  35   6.382   0.897   3.857
  240    HG2  MET 845           HG2      MET  35   7.967  -1.313   2.510
  241    HG3  MET 845           HG3      MET  35   7.912  -1.037   4.247
  242    HE1  MET 845           HE1      MET  35   5.891  -1.529   5.836
  243    HE2  MET 845           HE2      MET  35   4.295  -2.079   5.294
  244    HE3  MET 845           HE3      MET  35   4.811  -0.416   4.961
  245    H    SER 846           H        SER  36   7.714   3.073   1.552
  246    HA   SER 846           HA       SER  36   7.239   5.265   2.038
  247    HB2  SER 846           HB2      SER  36   5.587   6.225   0.295
  248    HB3  SER 846           HB3      SER  36   7.085   5.466  -0.239
  249    HG   SER 846           HG       SER  36   6.036   3.810  -1.028
  250    H    LEU 847           H        LEU  37   6.470   4.501   4.154
  251    HA   LEU 847           HA       LEU  37   3.633   4.570   4.720
  252    HB2  LEU 847           HB2      LEU  37   6.106   4.576   6.434
  253    HB3  LEU 847           HB3      LEU  37   4.517   4.731   7.147
  254    HG   LEU 847           HG       LEU  37   4.563   2.444   5.270
  255   HD11  LEU 847          HD11      LEU  37   6.178   1.037   6.496
  256   HD12  LEU 847          HD12      LEU  37   6.769   2.535   7.270
  257   HD13  LEU 847          HD13      LEU  37   6.882   2.354   5.532
  258   HD21  LEU 847          HD21      LEU  37   4.239   2.028   8.199
  259   HD22  LEU 847          HD22      LEU  37   3.583   1.181   6.823
  260   HD23  LEU 847          HD23      LEU  37   2.982   2.788   7.210
  261    H    ASP 848           H        ASP  38   2.400   6.188   5.664
  262    HA   ASP 848           HA       ASP  38   3.572   8.874   5.902
  263    HB2  ASP 848           HB2      ASP  38   1.181   8.362   4.134
  264    HB3  ASP 848           HB3      ASP  38   1.813   9.920   4.615
  265    H    PHE 849           H        PHE  39   2.418  10.284   7.250
  266    HA   PHE 849           HA       PHE  39  -0.147   9.279   8.386
  267    HB2  PHE 849           HB2      PHE  39   1.985  10.562  10.120
  268    HB3  PHE 849           HB3      PHE  39   0.500   9.788  10.597
  269    HD1  PHE 849           HD1      PHE  39   3.955   9.331  10.468
  270    HD2  PHE 849           HD2      PHE  39   0.265   7.242   9.728
  271    HE1  PHE 849           HE1      PHE  39   5.040   7.191  11.053
  272    HE2  PHE 849           HE2      PHE  39   1.363   5.081  10.298
  273    HZ   PHE 849           HZ       PHE  39   3.755   5.051  10.996
  274    H    CYS 850           H        CYS  40  -1.618  10.781   9.231
  275    HA   CYS 850           HA       CYS  40  -1.669  13.419   8.229
  276    HB2  CYS 850           HB2      CYS  40  -3.112  12.193  10.620
  277    HB3  CYS 850           HB3      CYS  40  -3.650  13.602   9.708
  278    H    ASP 851           H        ASP  41  -2.111  15.334   9.718
  279    HA   ASP 851           HA       ASP  41   0.181  16.182  11.116
  280    HB2  ASP 851           HB2      ASP  41  -1.029  18.125  11.611
  281    HB3  ASP 851           HB3      ASP  41  -1.601  17.598  10.041
  282    H    SER 852           H        SER  42  -2.680  14.544  12.368
  283    HA   SER 852           HA       SER  42  -1.813  14.735  15.163
  284    HB2  SER 852           HB2      SER  42  -4.200  14.921  14.583
  285    HB3  SER 852           HB3      SER  42  -4.155  13.288  13.880
  286    HG   SER 852           HG       SER  42  -4.938  13.333  16.077
  287    H    CYS 853           H        CYS  43  -1.996  12.280  12.570
  288    HA   CYS 853           HA       CYS  43  -1.549  10.003  14.220
  289    HB2  CYS 853           HB2      CYS  43  -1.409  10.604  11.273
  290    HB3  CYS 853           HB3      CYS  43  -1.221   9.005  11.948
  291    H    SER 854           H        SER  44   0.565  12.228  12.508
  292    HA   SER 854           HA       SER  44   2.987  10.699  12.429
  293    HB2  SER 854           HB2      SER  44   4.019  12.872  12.133
  294    HB3  SER 854           HB3      SER  44   2.489  12.826  11.259
  295    HG   SER 854           HG       SER  44   2.768  14.763  12.530
  296    H    ASP 855           H        ASP  45   1.301  12.271  15.065
  297    HA   ASP 855           HA       ASP  45   3.560  12.176  16.909
  298    HB2  ASP 855           HB2      ASP  45   1.695  13.924  16.951
  299    HB3  ASP 855           HB3      ASP  45   0.638  12.654  17.577
  300    H    CYS 856           H        CYS  46   1.409   9.896  15.656
  301    HA   CYS 856           HA       CYS  46   1.050   8.263  18.015
  302    HB2  CYS 856           HB2      CYS  46  -0.415   8.507  15.818
  303    HB3  CYS 856           HB3      CYS  46   0.678   7.296  15.162
  304    HG   CYS 856           HG       CYS  46   0.388   5.548  17.111
  305    H    LEU 857           H        LEU  47   3.655   8.754  15.974
  306    HA   LEU 857           HA       LEU  47   5.723   7.864  15.725
  307    HB2  LEU 857           HB2      LEU  47   5.608   7.929  18.178
  308    HB3  LEU 857           HB3      LEU  47   5.023   6.278  18.199
  309    HG   LEU 857           HG       LEU  47   7.126   5.454  17.210
  310   HD11  LEU 857          HD11      LEU  47   7.927   7.425  15.989
  311   HD12  LEU 857          HD12      LEU  47   9.115   6.985  17.213
  312   HD13  LEU 857          HD13      LEU  47   8.033   8.356  17.505
  313   HD21  LEU 857          HD21      LEU  47   7.364   7.178  19.716
  314   HD22  LEU 857          HD22      LEU  47   8.477   5.876  19.273
  315   HD23  LEU 857          HD23      LEU  47   6.793   5.493  19.627
  316    H    HIS 858           H        HIS  48   3.970   5.088  16.710
  317    HA   HIS 858           HA       HIS  48   3.785   3.033  16.128
  318    HB2  HIS 858           HB2      HIS  48   1.993   4.271  15.210
  319    HB3  HIS 858           HB3      HIS  48   2.942   4.737  13.829
  320    HD2  HIS 858           HD2      HIS  48   2.550   3.221  11.676
  321    HE1  HIS 858           HE1      HIS  48   0.546  -0.068  13.504
  322    HE2  HIS 858           HE2      HIS  48   1.222   0.976  11.286
  323    H    GLU 859           H        GLU  49   3.979   1.118  14.988
  324    HA   GLU 859           HA       GLU  49   6.332   0.907  13.240
  325    HB2  GLU 859           HB2      GLU  49   6.088  -0.986  15.589
  326    HB3  GLU 859           HB3      GLU  49   7.437  -0.670  14.571
  327    HG2  GLU 859           HG2      GLU  49   7.572   1.673  15.620
  328    HG3  GLU 859           HG3      GLU  49   6.323   1.141  16.735
  329    H    THR 860           H        THR  50   6.376  -0.847  11.905
  330    HA   THR 860           HA       THR  50   4.111  -2.825  11.996
  331    HB   THR 860           HB       THR  50   3.803  -2.744   9.637
  332    HG1  THR 860           HG1      THR  50   4.967  -1.358   8.323
  333   HG21  THR 860          HG21      THR  50   2.414  -1.110  10.652
  334   HG22  THR 860          HG22      THR  50   3.117  -0.358   9.200
  335   HG23  THR 860          HG23      THR  50   3.725   0.064  10.821
  336    H    ASP 861           H        ASP  51   5.386  -3.942   9.431
  337    HA   ASP 861           HA       ASP  51   7.396  -5.661  10.626
  338    HB2  ASP 861           HB2      ASP  51   6.429  -5.323   7.820
  339    HB3  ASP 861           HB3      ASP  51   7.574  -6.544   8.337
  340    H    ILE 862           H        ILE  52   7.258  -2.714   8.712
  341    HA   ILE 862           HA       ILE  52  10.209  -2.610   8.572
  342    HB   ILE 862           HB       ILE  52   8.221  -1.727   6.493
  343   HG12  ILE 862          HG12      ILE  52  10.371  -3.913   6.710
  344   HG13  ILE 862          HG13      ILE  52   8.628  -4.186   6.650
  345   HG21  ILE 862          HG21      ILE  52  11.244  -1.404   6.660
  346   HG22  ILE 862          HG22      ILE  52  10.035  -0.097   6.597
  347   HG23  ILE 862          HG23      ILE  52  10.272  -1.133   5.196
  348   HD11  ILE 862          HD11      ILE  52   9.519  -4.748   4.559
  349   HD12  ILE 862          HD12      ILE  52  10.357  -3.188   4.413
  350   HD13  ILE 862          HD13      ILE  52   8.562  -3.260   4.388
  351    H    HIS 863           H        HIS  53   7.221  -0.892   9.213
  352    HA   HIS 863           HA       HIS  53   8.469   1.707   9.693
  353    HB2  HIS 863           HB2      HIS  53   6.181   1.409   8.917
  354    HB3  HIS 863           HB3      HIS  53   5.644   0.713  10.300
  355    HD1  HIS 863           HD1      HIS  53   4.717   3.599   8.967
  356    HD2  HIS 863           HD2      HIS  53   7.566   3.110  11.905
  357    HE1  HIS 863           HE1      HIS  53   6.456   5.366   8.507
  358    H    LYS 864           H        LYS  54   9.521   2.275  11.502
  359    HA   LYS 864           HA       LYS  54   9.036   0.831  14.044
  360    HB2  LYS 864           HB2      LYS  54  11.795   1.343  12.880
  361    HB3  LYS 864           HB3      LYS  54  11.427   0.668  14.454
  362    HG2  LYS 864           HG2      LYS  54  10.777  -0.605  11.743
  363    HG3  LYS 864           HG3      LYS  54  12.102  -1.063  12.766
  364    HD2  LYS 864           HD2      LYS  54  10.767  -2.138  14.352
  365    HD3  LYS 864           HD3      LYS  54   9.306  -1.362  13.850
  366    HE2  LYS 864           HE2      LYS  54   9.216  -2.559  11.768
  367    HE3  LYS 864           HE3      LYS  54  10.865  -3.129  11.938
  368    HZ1  LYS 864           HZ1      LYS  54  10.017  -4.391  13.981
  369    HZ2  LYS 864           HZ2      LYS  54   9.433  -4.924  12.552
  370    HZ3  LYS 864           HZ3      LYS  54   8.489  -3.994  13.496
  371    H    GLU 865           H        GLU  55  10.028   1.963  15.944
  372    HA   GLU 865           HA       GLU  55   9.912   4.861  15.699
  373    HB2  GLU 865           HB2      GLU  55  10.030   4.887  18.050
  374    HB3  GLU 865           HB3      GLU  55   8.870   3.674  17.531
  375    HG2  GLU 865           HG2      GLU  55  10.633   1.915  18.023
  376    HG3  GLU 865           HG3      GLU  55  11.730   3.189  18.524
  377    H    ASP 866           H        ASP  56  12.346   2.868  14.802
  378    HA   ASP 866           HA       ASP  56  14.600   3.750  16.316
  379    HB2  ASP 866           HB2      ASP  56  14.269   1.581  15.045
  380    HB3  ASP 866           HB3      ASP  56  14.561   2.526  13.596
  381    H    HIS 867           H        HIS  57  12.797   5.150  13.787
  382    HA   HIS 867           HA       HIS  57  14.905   7.030  12.885
  383    HB2  HIS 867           HB2      HIS  57  13.532   6.654  10.687
  384    HB3  HIS 867           HB3      HIS  57  14.749   5.534  11.160
  385    HD1  HIS 867           HD1      HIS  57  13.900   3.487  10.016
  386    HD2  HIS 867           HD2      HIS  57  10.969   5.772  11.924
  387    HE1  HIS 867           HE1      HIS  57  11.706   3.272   8.745
  388    H    GLN 868           H        GLN  58  13.165   8.367  11.177
  389    HA   GLN 868           HA       GLN  58  11.319   9.815  12.927
  390    HB2  GLN 868           HB2      GLN  58  12.436  11.952  12.584
  391    HB3  GLN 868           HB3      GLN  58  13.483  10.827  13.436
  392    HG2  GLN 868           HG2      GLN  58  13.695  11.365  10.431
  393    HG3  GLN 868           HG3      GLN  58  14.574  12.271  11.648
  394   HE21  GLN 868          HE21      GLN  58  16.080  10.958  13.117
  395   HE22  GLN 868          HE22      GLN  58  16.813   9.545  12.371
  396    H    LEU 869           H        LEU  59  10.018  11.398  11.860
  397    HA   LEU 869           HA       LEU  59   9.467  10.731   9.012
  398    HB2  LEU 869           HB2      LEU  59   7.752  12.233  11.032
  399    HB3  LEU 869           HB3      LEU  59   7.280  11.652   9.440
  400    HG   LEU 869           HG       LEU  59   6.196  10.363  10.997
  401   HD11  LEU 869          HD11      LEU  59   6.891   8.093  10.425
  402   HD12  LEU 869          HD12      LEU  59   8.478   8.697   9.961
  403   HD13  LEU 869          HD13      LEU  59   7.004   9.197   9.041
  404   HD21  LEU 869          HD21      LEU  59   7.695  10.676  12.987
  405   HD22  LEU 869          HD22      LEU  59   8.724   9.364  12.332
  406   HD23  LEU 869          HD23      LEU  59   7.045   9.046  12.761
  407    H    GLU 870           H        GLU  60   8.815  12.421   7.571
  408    HA   GLU 870           HA       GLU  60  10.099  15.074   8.080
  409    HB2  GLU 870           HB2      GLU  60  11.085  13.572   6.291
  410    HB3  GLU 870           HB3      GLU  60   9.568  13.702   5.434
  411    HG2  GLU 870           HG2      GLU  60  10.937  15.214   4.418
  412    HG3  GLU 870           HG3      GLU  60   9.947  16.251   5.452
  413    HA   PRO 871           HA       PRO  61   5.785  16.361   7.500
  414    HB2  PRO 871           HB2      PRO  61   5.978  18.953   8.316
  415    HB3  PRO 871           HB3      PRO  61   5.954  17.587   9.459
  416    HG2  PRO 871           HG2      PRO  61   8.330  19.160   8.468
  417    HG3  PRO 871           HG3      PRO  61   8.008  18.546  10.116
  418    HD2  PRO 871           HD2      PRO  61   9.644  17.316   8.214
  419    HD3  PRO 871           HD3      PRO  61   8.889  16.460   9.582
  420    H    ILE 872           H        ILE  62   4.823  17.209   5.647
  421    HA   ILE 872           HA       ILE  62   6.545  18.861   3.835
  422    HB   ILE 872           HB       ILE  62   4.452  16.999   2.829
  423   HG12  ILE 872          HG12      ILE  62   5.999  15.515   4.078
  424   HG13  ILE 872          HG13      ILE  62   6.030  15.214   2.362
  425   HG21  ILE 872          HG21      ILE  62   5.289  18.813   1.365
  426   HG22  ILE 872          HG22      ILE  62   5.712  17.224   0.720
  427   HG23  ILE 872          HG23      ILE  62   6.930  18.221   1.540
  428   HD11  ILE 872          HD11      ILE  62   8.143  16.340   2.092
  429   HD12  ILE 872          HD12      ILE  62   8.280  15.205   3.454
  430   HD13  ILE 872          HD13      ILE  62   8.093  16.948   3.750
  431    H    TYR 873           H        TYR  63   5.826  20.761   3.713
  432    HA   TYR 873           HA       TYR  63   3.158  21.486   4.640
  433    HB2  TYR 873           HB2      TYR  63   5.657  23.132   4.148
  434    HB3  TYR 873           HB3      TYR  63   4.172  23.742   4.833
  435    HD1  TYR 873           HD1      TYR  63   3.242  22.347   6.941
  436    HD2  TYR 873           HD2      TYR  63   7.358  22.445   5.645
  437    HE1  TYR 873           HE1      TYR  63   3.975  21.761   9.238
  438    HE2  TYR 873           HE2      TYR  63   8.092  21.859   7.945
  439    HH   TYR 873           HH       TYR  63   7.431  21.568  10.161
  440    H    ARG 874           H        ARG  64   3.928  20.488   1.862
  441    HA   ARG 874           HA       ARG  64   2.276  22.270   0.236
  442    HB2  ARG 874           HB2      ARG  64   4.093  22.651  -1.426
  443    HB3  ARG 874           HB3      ARG  64   4.394  23.427   0.136
  444    HG2  ARG 874           HG2      ARG  64   5.913  21.499   0.746
  445    HG3  ARG 874           HG3      ARG  64   5.679  20.848  -0.875
  446    HD2  ARG 874           HD2      ARG  64   6.742  23.592  -0.186
  447    HD3  ARG 874           HD3      ARG  64   7.766  22.200  -0.537
  448    HE   ARG 874           HE       ARG  64   6.255  23.855  -2.441
  449   HH11  ARG 874          HH11      ARG  64   6.525  23.565  -4.615
  450   HH12  ARG 874          HH12      ARG  64   7.356  22.160  -5.217
  451   HH21  ARG 874          HH21      ARG  64   7.983  20.811  -2.128
  452   HH22  ARG 874          HH22      ARG  64   8.161  20.641  -3.852
  453    H1   ALA   1           H1       ALA  65   0.381   6.439   2.864
  454    H2   ALA   1           H2       ALA  65   2.015   6.568   2.647
  455    H3   ALA   1           H3       ALA  65   1.401   5.507   3.753
  456    HA   ALA   1           HA       ALA  65   2.165   4.374   1.799
  457    HB1  ALA   1           HB1      ALA  65   0.362   3.304   3.027
  458    HB2  ALA   1           HB2      ALA  65   0.105   3.098   1.294
  459    HB3  ALA   1           HB3      ALA  65  -0.849   4.302   2.188
  460    H    ARG   2           H        ARG  66   2.691   4.697  -0.206
  461    HA   ARG   2           HA       ARG  66   1.672   6.537  -2.035
  462    HB2  ARG   2           HB2      ARG  66   2.864   5.297  -3.712
  463    HB3  ARG   2           HB3      ARG  66   3.796   5.388  -2.246
  464    HG2  ARG   2           HG2      ARG  66   2.523   2.989  -3.562
  465    HG3  ARG   2           HG3      ARG  66   4.182   3.243  -3.063
  466    HD2  ARG   2           HD2      ARG  66   3.362   3.037  -0.633
  467    HD3  ARG   2           HD3      ARG  66   1.829   2.478  -1.267
  468    HE   ARG   2           HE       ARG  66   4.404   1.069  -1.191
  469   HH11  ARG   2          HH11      ARG  66   4.569  -0.964  -1.742
  470   HH12  ARG   2          HH12      ARG  66   3.290  -1.812  -2.595
  471   HH21  ARG   2          HH21      ARG  66   1.241   0.976  -2.745
  472   HH22  ARG   2          HH22      ARG  66   1.416  -0.710  -3.146
  473    H    THR   3           H        THR  67  -0.160   6.799  -2.954
  474    HA   THR   3           HA       THR  67  -1.561   4.568  -4.337
  475    HB   THR   3           HB       THR  67  -3.736   5.622  -3.830
  476    HG1  THR   3           HG1      THR  67  -3.885   7.240  -2.337
  477   HG21  THR   3          HG21      THR  67  -2.881   3.776  -2.357
  478   HG22  THR   3          HG22      THR  67  -4.008   4.882  -1.554
  479   HG23  THR   3          HG23      THR  67  -2.268   5.017  -1.234
  480   HH31  ALY   4           H26      ALY  68  -1.620  15.141  -8.221
  481   HH32  ALY   4           H27      ALY  68  -1.350  15.116  -6.464
  482   HH33  ALY   4           H28      ALY  68  -1.995  13.675  -7.280
  483    HZ   ALY   4           HZ1      ALY  68   0.009  13.129  -5.781
  484    HE3  ALY   4           HE3      ALY  68   2.304  12.610  -7.627
  485    HE2  ALY   4           HE2      ALY  68   2.619  13.317  -6.038
  486    HD3  ALY   4           HD3      ALY  68   2.933  10.913  -5.931
  487    HD2  ALY   4           HD2      ALY  68   1.521  11.367  -4.966
  488    HG3  ALY   4           HG3      ALY  68   0.027  10.674  -6.834
  489    HG2  ALY   4           HG2      ALY  68   1.453  10.163  -7.765
  490    HB3  ALY   4           HB3      ALY  68   2.004   8.457  -6.115
  491    HB2  ALY   4           HB2      ALY  68   0.853   9.124  -4.965
  492    HA   ALY   4           HA       ALY  68  -0.983   8.603  -6.697
  493    H    ALY   4           H        ALY  68   0.472   6.596  -5.095
  494    H    GLN   5           H        GLN  69  -1.709   6.901  -8.179
  495    HA   GLN   5           HA       GLN  69   0.046   6.792 -10.536
  496    HB2  GLN   5           HB2      GLN  69  -0.003   4.486 -10.887
  497    HB3  GLN   5           HB3      GLN  69   0.492   4.676  -9.221
  498    HG2  GLN   5           HG2      GLN  69  -2.282   3.861 -10.213
  499    HG3  GLN   5           HG3      GLN  69  -1.067   2.789  -9.557
  500   HE21  GLN   5          HE21      GLN  69  -3.931   3.973  -8.722
  501   HE22  GLN   5          HE22      GLN  69  -3.690   4.194  -6.991
  502    H    THR   6           H        THR  70  -1.091   6.231 -12.542
  503    HA   THR   6           HA       THR  70  -3.699   7.514 -12.663
  504    HB   THR   6           HB       THR  70  -3.563   6.988 -15.091
  505    HG1  THR   6           HG1      THR  70  -2.390   5.126 -15.218
  506   HG21  THR   6          HG21      THR  70  -0.987   8.178 -13.969
  507   HG22  THR   6          HG22      THR  70  -2.519   9.049 -14.182
  508   HG23  THR   6          HG23      THR  70  -1.655   8.418 -15.594
  509    H    ALA   7           H        ALA  71  -2.678   4.136 -12.559
  510    HA   ALA   7           HA       ALA  71  -5.185   2.997 -13.423
  511    HB1  ALA   7           HB1      ALA  71  -3.056   1.775 -13.517
  512    HB2  ALA   7           HB2      ALA  71  -4.240   0.905 -12.528
  513    HB3  ALA   7           HB3      ALA  71  -2.932   1.813 -11.737
  514    H    ARG   8           H        ARG  72  -6.837   2.047 -12.216
  515    HA   ARG   8           HA       ARG  72  -7.563   3.301  -9.670
  516    HB2  ARG   8           HB2      ARG  72  -8.905   1.136 -11.335
  517    HB3  ARG   8           HB3      ARG  72  -9.565   1.812  -9.843
  518    HG2  ARG   8           HG2      ARG  72  -9.599   4.084 -10.877
  519    HG3  ARG   8           HG3      ARG  72  -8.962   3.399 -12.378
  520    HD2  ARG   8           HD2      ARG  72 -11.316   3.665 -12.644
  521    HD3  ARG   8           HD3      ARG  72 -10.972   1.931 -12.538
  522    HE   ARG   8           HE       ARG  72 -11.616   3.010  -9.943
  523   HH11  ARG   8          HH11      ARG  72 -13.231   2.114 -12.919
  524   HH12  ARG   8          HH12      ARG  72 -14.745   1.799 -12.115
  525   HH21  ARG   8          HH21      ARG  72 -13.575   2.574  -8.973
  526   HH22  ARG   8          HH22      ARG  72 -14.925   2.055  -9.937
  Start of MODEL    6
    1    H1   GLY 811           H1       GLY   1  -5.043  24.732  -3.584
    2    H2   GLY 811           H2       GLY   1  -3.634  24.460  -2.799
    3    H3   GLY 811           H3       GLY   1  -4.157  25.996  -3.038
    4    HA2  GLY 811           HA2      GLY   1  -6.070  25.645  -1.608
    5    HA3  GLY 811           HA3      GLY   1  -5.522  23.981  -1.347
    6    HA   PRO 812           HA       PRO   2  -3.747  27.257   1.666
    7    HB2  PRO 812           HB2      PRO   2  -5.550  25.900   3.663
    8    HB3  PRO 812           HB3      PRO   2  -5.103  27.626   3.531
    9    HG2  PRO 812           HG2      PRO   2  -7.518  26.780   2.652
   10    HG3  PRO 812           HG3      PRO   2  -6.566  27.942   1.666
   11    HD2  PRO 812           HD2      PRO   2  -6.789  24.931   1.334
   12    HD3  PRO 812           HD3      PRO   2  -6.939  26.222   0.107
   13    H    LEU 813           H        LEU   3  -2.045  26.930   3.035
   14    HA   LEU 813           HA       LEU   3  -0.618  24.519   3.055
   15    HB2  LEU 813           HB2      LEU   3  -0.359  26.822   5.029
   16    HB3  LEU 813           HB3      LEU   3   0.880  25.634   4.643
   17    HG   LEU 813           HG       LEU   3  -0.197  27.768   2.749
   18   HD11  LEU 813          HD11      LEU   3   2.493  27.477   4.146
   19   HD12  LEU 813          HD12      LEU   3   1.217  28.646   4.565
   20   HD13  LEU 813          HD13      LEU   3   2.036  28.756   3.001
   21   HD21  LEU 813          HD21      LEU   3   1.660  27.108   1.257
   22   HD22  LEU 813          HD22      LEU   3   0.507  25.785   1.472
   23   HD23  LEU 813          HD23      LEU   3   2.055  25.757   2.344
   24    H    GLY 814           H        GLY   4  -3.071  25.521   5.343
   25    HA2  GLY 814           HA2      GLY   4  -2.428  23.349   7.271
   26    HA3  GLY 814           HA3      GLY   4  -3.615  24.635   7.473
   27    H    SER 815           H        SER   5  -3.990  23.278   4.393
   28    HA   SER 815           HA       SER   5  -6.102  21.390   5.212
   29    HB2  SER 815           HB2      SER   5  -6.545  23.736   3.339
   30    HB3  SER 815           HB3      SER   5  -7.747  22.514   3.801
   31    HG   SER 815           HG       SER   5  -8.020  24.381   5.068
   32    H    VAL 816           H        VAL   6  -3.436  21.167   3.817
   33    HA   VAL 816           HA       VAL   6  -3.624  20.847   1.038
   34    HB   VAL 816           HB       VAL   6  -1.814  19.609   3.147
   35   HG11  VAL 816          HG11      VAL   6  -1.422  18.473   1.119
   36   HG12  VAL 816          HG12      VAL   6  -0.067  19.533   1.527
   37   HG13  VAL 816          HG13      VAL   6  -1.210  20.038   0.249
   38   HG21  VAL 816          HG21      VAL   6  -0.371  21.480   2.891
   39   HG22  VAL 816          HG22      VAL   6  -1.936  22.158   3.191
   40   HG23  VAL 816          HG23      VAL   6  -1.332  22.138   1.525
   41    H    GLN 817           H        GLN   7  -4.259  19.248  -0.277
   42    HA   GLN 817           HA       GLN   7  -5.313  16.754   0.992
   43    HB2  GLN 817           HB2      GLN   7  -6.716  16.627  -1.019
   44    HB3  GLN 817           HB3      GLN   7  -7.036  18.028   0.013
   45    HG2  GLN 817           HG2      GLN   7  -6.754  19.473  -1.631
   46    HG3  GLN 817           HG3      GLN   7  -5.160  18.856  -1.996
   47   HE21  GLN 817          HE21      GLN   7  -5.107  16.771  -3.327
   48   HE22  GLN 817          HE22      GLN   7  -6.289  16.670  -4.642
   49    H    HIS 818           H        HIS   8  -4.092  15.000   0.803
   50    HA   HIS 818           HA       HIS   8  -2.467  14.657  -1.693
   51    HB2  HIS 818           HB2      HIS   8  -1.954  14.053   1.182
   52    HB3  HIS 818           HB3      HIS   8  -1.349  12.945  -0.044
   53    HD2  HIS 818           HD2      HIS   8  -0.359  16.131   1.562
   54    HE1  HIS 818           HE1      HIS   8   1.606  16.250  -2.210
   55    HE2  HIS 818           HE2      HIS   8   1.393  17.397   0.004
   56    H    VAL 819           H        VAL   9  -4.396  14.068  -2.733
   57    HA   VAL 819           HA       VAL   9  -5.672  11.513  -2.365
   58    HB   VAL 819           HB       VAL   9  -5.490  13.303  -4.778
   59   HG11  VAL 819          HG11      VAL   9  -6.077  11.002  -5.455
   60   HG12  VAL 819          HG12      VAL   9  -7.482  12.069  -5.560
   61   HG13  VAL 819          HG13      VAL   9  -7.333  10.946  -4.191
   62   HG21  VAL 819          HG21      VAL   9  -7.649  12.907  -2.643
   63   HG22  VAL 819          HG22      VAL   9  -7.809  13.929  -4.088
   64   HG23  VAL 819          HG23      VAL   9  -6.643  14.358  -2.835
   65    H    GLY 820           H        GLY  10  -4.500   9.764  -2.223
   66    HA2  GLY 820           HA2      GLY  10  -3.237   8.058  -3.573
   67    HA3  GLY 820           HA3      GLY  10  -2.135   9.357  -4.005
   68    H    PHE 821           H        PHE  11  -2.735  10.127  -0.834
   69    HA   PHE 821           HA       PHE  11  -0.928   8.013   0.308
   70    HB2  PHE 821           HB2      PHE  11  -0.862  10.910   1.155
   71    HB3  PHE 821           HB3      PHE  11   0.217   9.616   1.636
   72    HD1  PHE 821           HD1      PHE  11   1.027   8.505  -1.080
   73    HD2  PHE 821           HD2      PHE  11   0.689  12.494   0.453
   74    HE1  PHE 821           HE1      PHE  11   2.619   9.311  -2.806
   75    HE2  PHE 821           HE2      PHE  11   2.205  13.317  -1.300
   76    HZ   PHE 821           HZ       PHE  11   3.172  11.769  -2.926
   77    H    LYS 822           H        LYS  12  -2.605   6.827   1.123
   78    HA   LYS 822           HA       LYS  12  -4.500   7.983   3.164
   79    HB2  LYS 822           HB2      LYS  12  -5.638   6.449   2.043
   80    HB3  LYS 822           HB3      LYS  12  -4.282   5.495   1.590
   81    HG2  LYS 822           HG2      LYS  12  -5.102   5.389   4.527
   82    HG3  LYS 822           HG3      LYS  12  -6.197   4.763   3.360
   83    HD2  LYS 822           HD2      LYS  12  -4.366   3.312   2.387
   84    HD3  LYS 822           HD3      LYS  12  -3.266   3.979   3.602
   85    HE2  LYS 822           HE2      LYS  12  -3.951   1.801   4.278
   86    HE3  LYS 822           HE3      LYS  12  -4.591   3.010   5.401
   87    HZ1  LYS 822           HZ1      LYS  12  -6.252   1.284   4.791
   88    HZ2  LYS 822           HZ2      LYS  12  -6.192   1.712   3.224
   89    HZ3  LYS 822           HZ3      LYS  12  -6.787   2.756   4.346
   90    H    CYS 823           H        CYS  13  -4.119   7.716   5.394
   91    HA   CYS 823           HA       CYS  13  -1.448   7.467   6.388
   92    HB2  CYS 823           HB2      CYS  13  -3.322   8.757   7.386
   93    HB3  CYS 823           HB3      CYS  13  -4.150   7.224   7.699
   94    H    ASP 824           H        ASP  14  -0.477   5.874   7.544
   95    HA   ASP 824           HA       ASP  14  -1.373   3.038   7.183
   96    HB2  ASP 824           HB2      ASP  14   1.266   4.333   7.992
   97    HB3  ASP 824           HB3      ASP  14   0.981   2.613   8.025
   98    H    ASN 825           H        ASN  15  -0.777   5.464   9.649
   99    HA   ASN 825           HA       ASN  15  -0.584   3.649  11.850
  100    HB2  ASN 825           HB2      ASN  15   0.318   5.967  11.680
  101    HB3  ASN 825           HB3      ASN  15  -1.323   6.591  11.847
  102   HD21  ASN 825          HD21      ASN  15  -1.433   7.412  13.897
  103   HD22  ASN 825          HD22      ASN  15  -0.915   6.543  15.354
  104    H    CYS 826           H        CYS  16  -3.347   5.837  10.984
  105    HA   CYS 826           HA       CYS  16  -5.143   4.033  12.497
  106    HB2  CYS 826           HB2      CYS  16  -6.599   5.827  12.805
  107    HB3  CYS 826           HB3      CYS  16  -4.998   6.486  13.113
  108    H    GLY 827           H        GLY  17  -4.414   4.926   9.206
  109    HA2  GLY 827           HA2      GLY  17  -5.051   3.679   7.402
  110    HA3  GLY 827           HA3      GLY  17  -6.429   3.039   8.255
  111    H    ILE 828           H        ILE  18  -6.277   6.456   8.703
  112    HA   ILE 828           HA       ILE  18  -8.605   6.976   7.275
  113    HB   ILE 828           HB       ILE  18  -7.842   8.437   9.034
  114   HG12  ILE 828          HG12      ILE  18  -7.938   9.993   6.412
  115   HG13  ILE 828          HG13      ILE  18  -9.346   9.222   7.125
  116   HG21  ILE 828          HG21      ILE  18  -6.025  10.102   8.726
  117   HG22  ILE 828          HG22      ILE  18  -5.586   9.357   7.181
  118   HG23  ILE 828          HG23      ILE  18  -5.404   8.479   8.710
  119   HD11  ILE 828          HD11      ILE  18  -7.748  11.499   8.352
  120   HD12  ILE 828          HD12      ILE  18  -9.055  10.618   9.184
  121   HD13  ILE 828          HD13      ILE  18  -9.396  11.545   7.712
  122    H    GLU 829           H        GLU  19  -9.061   7.658   5.305
  123    HA   GLU 829           HA       GLU  19  -7.529   6.970   3.043
  124    HB2  GLU 829           HB2      GLU  19  -9.601   9.026   2.752
  125    HB3  GLU 829           HB3      GLU  19  -9.406   7.525   1.866
  126    HG2  GLU 829           HG2      GLU  19 -10.769   7.858   4.545
  127    HG3  GLU 829           HG3      GLU  19 -11.521   7.499   2.999
  128    HA   PRO 830           HA       PRO  20  -5.046  10.085   1.356
  129    HB2  PRO 830           HB2      PRO  20  -7.437  11.654   0.331
  130    HB3  PRO 830           HB3      PRO  20  -5.798  11.595  -0.337
  131    HG2  PRO 830           HG2      PRO  20  -7.670   9.930  -1.292
  132    HG3  PRO 830           HG3      PRO  20  -6.027   9.291  -0.934
  133    HD2  PRO 830           HD2      PRO  20  -8.569   9.054   0.632
  134    HD3  PRO 830           HD3      PRO  20  -7.212   7.887   0.509
  135    H    ILE 831           H        ILE  21  -3.954  11.097   2.851
  136    HA   ILE 831           HA       ILE  21  -5.043  12.392   5.053
  137    HB   ILE 831           HB       ILE  21  -2.236  12.566   3.915
  138   HG12  ILE 831          HG12      ILE  21  -3.201  10.949   6.320
  139   HG13  ILE 831          HG13      ILE  21  -3.259  10.275   4.705
  140   HG21  ILE 831          HG21      ILE  21  -1.525  13.259   6.212
  141   HG22  ILE 831          HG22      ILE  21  -3.220  13.363   6.700
  142   HG23  ILE 831          HG23      ILE  21  -2.554  14.464   5.464
  143   HD11  ILE 831          HD11      ILE  21  -0.870  10.548   4.389
  144   HD12  ILE 831          HD12      ILE  21  -1.227   9.591   5.849
  145   HD13  ILE 831          HD13      ILE  21  -0.705  11.268   6.002
  146    H    GLN 832           H        GLN  22  -5.501  14.332   5.719
  147    HA   GLN 832           HA       GLN  22  -5.438  16.565   3.760
  148    HB2  GLN 832           HB2      GLN  22  -7.307  16.160   6.116
  149    HB3  GLN 832           HB3      GLN  22  -7.364  17.459   4.925
  150    HG2  GLN 832           HG2      GLN  22  -7.834  14.504   4.327
  151    HG3  GLN 832           HG3      GLN  22  -9.081  15.711   4.551
  152   HE21  GLN 832          HE21      GLN  22  -7.566  14.049   2.145
  153   HE22  GLN 832          HE22      GLN  22  -7.853  15.223   0.854
  154    H    GLY 833           H        GLY  23  -4.584  18.481   4.339
  155    HA2  GLY 833           HA2      GLY  23  -4.148  20.240   6.002
  156    HA3  GLY 833           HA3      GLY  23  -3.783  19.019   7.164
  157    H    VAL 834           H        VAL  24  -2.015  17.461   6.405
  158    HA   VAL 834           HA       VAL  24   0.177  18.551   4.860
  159    HB   VAL 834           HB       VAL  24   0.177  19.639   7.134
  160   HG11  VAL 834          HG11      VAL  24  -0.618  17.792   8.450
  161   HG12  VAL 834          HG12      VAL  24   0.873  18.508   9.090
  162   HG13  VAL 834          HG13      VAL  24   0.960  16.958   8.209
  163   HG21  VAL 834          HG21      VAL  24   2.593  17.880   6.536
  164   HG22  VAL 834          HG22      VAL  24   2.587  19.268   7.640
  165   HG23  VAL 834          HG23      VAL  24   2.304  19.536   5.924
  166    H    ARG 835           H        ARG  25   1.427  16.811   4.072
  167    HA   ARG 835           HA       ARG  25   0.665  14.051   4.959
  168    HB2  ARG 835           HB2      ARG  25   1.006  14.508   2.525
  169    HB3  ARG 835           HB3      ARG  25   2.675  14.970   2.855
  170    HG2  ARG 835           HG2      ARG  25   2.717  12.454   3.916
  171    HG3  ARG 835           HG3      ARG  25   1.377  12.257   2.794
  172    HD2  ARG 835           HD2      ARG  25   2.945  13.123   0.971
  173    HD3  ARG 835           HD3      ARG  25   4.228  13.162   2.180
  174    HE   ARG 835           HE       ARG  25   3.017  10.575   2.256
  175   HH11  ARG 835          HH11      ARG  25   5.127  12.208  -0.067
  176   HH12  ARG 835          HH12      ARG  25   5.819  10.680  -0.527
  177   HH21  ARG 835          HH21      ARG  25   3.813   8.876   1.642
  178   HH22  ARG 835          HH22      ARG  25   5.119   8.745   0.471
  179    H    TRP 836           H        TRP  26   1.957  12.845   6.397
  180    HA   TRP 836           HA       TRP  26   4.697  13.900   6.968
  181    HB2  TRP 836           HB2      TRP  26   2.996  12.082   8.698
  182    HB3  TRP 836           HB3      TRP  26   4.677  12.424   8.913
  183    HD1  TRP 836           HD1      TRP  26   1.368  14.353   9.114
  184    HE1  TRP 836           HE1      TRP  26   1.796  16.452  10.583
  185    HE3  TRP 836           HE3      TRP  26   6.448  14.266   9.216
  186    HZ2  TRP 836           HZ2      TRP  26   4.032  17.693  11.883
  187    HZ3  TRP 836           HZ3      TRP  26   7.729  15.800  10.677
  188    HH2  TRP 836           HH2      TRP  26   6.538  17.480  12.058
  189    H    HIS 837           H        HIS  27   5.925  13.155   5.549
  190    HA   HIS 837           HA       HIS  27   5.778  10.374   4.469
  191    HB2  HIS 837           HB2      HIS  27   5.984  12.031   2.774
  192    HB3  HIS 837           HB3      HIS  27   7.210  12.928   3.672
  193    HD2  HIS 837           HD2      HIS  27   9.630  12.548   2.951
  194    HE1  HIS 837           HE1      HIS  27   9.266   8.790   0.978
  195    HE2  HIS 837           HE2      HIS  27  10.855  10.694   1.543
  196    H    CYS 838           H        CYS  28   6.901   8.861   5.503
  197    HA   CYS 838           HA       CYS  28   8.892   9.301   7.470
  198    HB2  CYS 838           HB2      CYS  28   7.869   7.050   5.806
  199    HB3  CYS 838           HB3      CYS  28   9.472   6.865   6.564
  200    H    GLN 839           H        GLN  29  11.023   9.790   7.403
  201    HA   GLN 839           HA       GLN  29  12.206  10.424   4.829
  202    HB2  GLN 839           HB2      GLN  29  13.348  10.585   7.639
  203    HB3  GLN 839           HB3      GLN  29  14.131  11.183   6.184
  204    HG2  GLN 839           HG2      GLN  29  11.832  12.477   5.823
  205    HG3  GLN 839           HG3      GLN  29  11.645  12.230   7.552
  206   HE21  GLN 839          HE21      GLN  29  11.822  14.483   8.135
  207   HE22  GLN 839          HE22      GLN  29  13.246  15.419   7.734
  208    H    ASP 840           H        ASP  30  12.715   7.862   7.232
  209    HA   ASP 840           HA       ASP  30  15.150   6.926   5.776
  210    HB2  ASP 840           HB2      ASP  30  15.240   7.414   8.184
  211    HB3  ASP 840           HB3      ASP  30  14.013   6.194   8.475
  212    H    CYS 841           H        CYS  31  11.859   5.855   6.582
  213    HA   CYS 841           HA       CYS  31  12.182   3.155   5.773
  214    HB2  CYS 841           HB2      CYS  31   9.639   4.818   5.799
  215    HB3  CYS 841           HB3      CYS  31   9.760   3.083   5.677
  216    HA   PRO 842           HA       PRO  32  13.111   3.781   1.578
  217    HB2  PRO 842           HB2      PRO  32  12.724   1.331   0.427
  218    HB3  PRO 842           HB3      PRO  32  13.943   1.617   1.702
  219    HG2  PRO 842           HG2      PRO  32  11.118   0.542   2.038
  220    HG3  PRO 842           HG3      PRO  32  12.643  -0.162   2.662
  221    HD2  PRO 842           HD2      PRO  32  11.049   1.454   4.199
  222    HD3  PRO 842           HD3      PRO  32  12.826   1.482   4.337
  223    HA   PRO 843           HA       PRO  33   9.757   4.991  -1.033
  224    HB2  PRO 843           HB2      PRO  33  11.166   3.545  -3.298
  225    HB3  PRO 843           HB3      PRO  33  10.445   5.181  -3.284
  226    HG2  PRO 843           HG2      PRO  33  13.107   4.915  -2.999
  227    HG3  PRO 843           HG3      PRO  33  12.228   6.022  -1.895
  228    HD2  PRO 843           HD2      PRO  33  13.138   3.181  -1.373
  229    HD3  PRO 843           HD3      PRO  33  13.294   4.632  -0.338
  230    H    GLU 844           H        GLU  34  10.649   1.569  -1.485
  231    HA   GLU 844           HA       GLU  34   8.224   0.558  -2.557
  232    HB2  GLU 844           HB2      GLU  34  10.359  -0.657  -2.415
  233    HB3  GLU 844           HB3      GLU  34  10.240  -0.722  -0.649
  234    HG2  GLU 844           HG2      GLU  34   8.236  -2.129  -0.789
  235    HG3  GLU 844           HG3      GLU  34   8.212  -1.978  -2.548
  236    H    MET 845           H        MET  35   9.053   1.484   0.709
  237    HA   MET 845           HA       MET  35   6.317   0.926   1.728
  238    HB2  MET 845           HB2      MET  35   8.983   0.500   3.112
  239    HB3  MET 845           HB3      MET  35   7.479   0.695   4.010
  240    HG2  MET 845           HG2      MET  35   7.910  -1.427   1.883
  241    HG3  MET 845           HG3      MET  35   8.146  -1.678   3.610
  242    HE1  MET 845           HE1      MET  35   6.310  -1.931   5.406
  243    HE2  MET 845           HE2      MET  35   4.580  -1.630   5.131
  244    HE3  MET 845           HE3      MET  35   5.722  -0.273   5.113
  245    H    SER 846           H        SER  36   6.758   3.164   0.347
  246    HA   SER 846           HA       SER  36   7.548   5.413   1.951
  247    HB2  SER 846           HB2      SER  36   7.315   5.553  -0.496
  248    HB3  SER 846           HB3      SER  36   5.567   5.338  -0.339
  249    HG   SER 846           HG       SER  36   7.172   7.521   0.536
  250    H    LEU 847           H        LEU  37   6.806   5.269   3.925
  251    HA   LEU 847           HA       LEU  37   4.066   4.666   4.655
  252    HB2  LEU 847           HB2      LEU  37   6.727   4.976   6.032
  253    HB3  LEU 847           HB3      LEU  37   5.302   5.168   6.997
  254    HG   LEU 847           HG       LEU  37   5.422   2.723   5.163
  255   HD11  LEU 847          HD11      LEU  37   6.823   1.530   6.867
  256   HD12  LEU 847          HD12      LEU  37   7.356   3.182   7.360
  257   HD13  LEU 847          HD13      LEU  37   7.605   2.605   5.729
  258   HD21  LEU 847          HD21      LEU  37   3.535   2.699   6.486
  259   HD22  LEU 847          HD22      LEU  37   4.353   3.278   7.932
  260   HD23  LEU 847          HD23      LEU  37   4.612   1.610   7.322
  261    H    ASP 848           H        ASP  38   2.682   5.873   5.915
  262    HA   ASP 848           HA       ASP  38   2.999   8.830   5.777
  263    HB2  ASP 848           HB2      ASP  38   0.567   7.237   4.945
  264    HB3  ASP 848           HB3      ASP  38   0.764   8.985   4.922
  265    H    PHE 849           H        PHE  39   2.153   9.995   7.408
  266    HA   PHE 849           HA       PHE  39   0.153   8.749   9.208
  267    HB2  PHE 849           HB2      PHE  39   2.405  10.508  10.243
  268    HB3  PHE 849           HB3      PHE  39   1.125   9.779  11.145
  269    HD1  PHE 849           HD1      PHE  39   1.533   7.800  12.303
  270    HD2  PHE 849           HD2      PHE  39   4.068   8.705   8.909
  271    HE1  PHE 849           HE1      PHE  39   2.781   5.701  12.659
  272    HE2  PHE 849           HE2      PHE  39   5.285   6.692   9.289
  273    HZ   PHE 849           HZ       PHE  39   4.634   5.035  11.125
  274    H    CYS 850           H        CYS  40  -1.594  10.068   9.639
  275    HA   CYS 850           HA       CYS  40  -1.819  12.512   8.204
  276    HB2  CYS 850           HB2      CYS  40  -3.927  12.717   9.326
  277    HB3  CYS 850           HB3      CYS  40  -3.805  11.157   8.528
  278    H    ASP 851           H        ASP  41  -2.593  14.584   9.224
  279    HA   ASP 851           HA       ASP  41  -0.794  15.746  11.035
  280    HB2  ASP 851           HB2      ASP  41  -2.304  17.531  11.119
  281    HB3  ASP 851           HB3      ASP  41  -2.361  16.916   9.472
  282    H    SER 852           H        SER  42  -3.334  13.573  11.772
  283    HA   SER 852           HA       SER  42  -3.489  14.318  14.617
  284    HB2  SER 852           HB2      SER  42  -5.513  13.562  13.234
  285    HB3  SER 852           HB3      SER  42  -4.832  11.932  13.348
  286    HG   SER 852           HG       SER  42  -6.323  12.410  15.069
  287    H    CYS 853           H        CYS  43  -2.398  11.572  12.610
  288    HA   CYS 853           HA       CYS  43  -1.428   9.962  14.783
  289    HB2  CYS 853           HB2      CYS  43  -1.472   9.890  11.781
  290    HB3  CYS 853           HB3      CYS  43  -0.594   8.695  12.650
  291    H    SER 854           H        SER  44  -0.003  12.403  12.704
  292    HA   SER 854           HA       SER  44   2.678  11.540  12.646
  293    HB2  SER 854           HB2      SER  44   3.210  13.791  12.068
  294    HB3  SER 854           HB3      SER  44   1.660  13.364  11.372
  295    HG   SER 854           HG       SER  44   2.176  15.126  13.546
  296    H    ASP 855           H        ASP  45   0.973  12.636  15.435
  297    HA   ASP 855           HA       ASP  45   3.259  13.379  17.051
  298    HB2  ASP 855           HB2      ASP  45   0.871  14.108  17.421
  299    HB3  ASP 855           HB3      ASP  45   0.481  12.451  17.878
  300    H    CYS 856           H        CYS  46   2.107  10.403  15.831
  301    HA   CYS 856           HA       CYS  46   2.767   8.658  18.022
  302    HB2  CYS 856           HB2      CYS  46   1.053   8.288  16.045
  303    HB3  CYS 856           HB3      CYS  46   2.481   7.905  15.090
  304    HG   CYS 856           HG       CYS  46   1.343   6.461  17.867
  305    H    LEU 857           H        LEU  47   4.402   7.077  17.961
  306    HA   LEU 857           HA       LEU  47   6.715   7.479  16.143
  307    HB2  LEU 857           HB2      LEU  47   7.277   8.548  18.261
  308    HB3  LEU 857           HB3      LEU  47   6.919   7.071  19.151
  309    HG   LEU 857           HG       LEU  47   8.801   5.913  18.121
  310   HD11  LEU 857          HD11      LEU  47   9.024   8.425  16.413
  311   HD12  LEU 857          HD12      LEU  47   8.900   6.725  15.883
  312   HD13  LEU 857          HD13      LEU  47  10.385   7.320  16.637
  313   HD21  LEU 857          HD21      LEU  47   9.589   8.731  19.004
  314   HD22  LEU 857          HD22      LEU  47  10.643   7.299  19.015
  315   HD23  LEU 857          HD23      LEU  47   9.238   7.363  20.085
  316    H    HIS 858           H        HIS  48   6.127   5.836  14.859
  317    HA   HIS 858           HA       HIS  48   5.401   3.218  16.058
  318    HB2  HIS 858           HB2      HIS  48   3.672   4.486  14.791
  319    HB3  HIS 858           HB3      HIS  48   4.701   4.375  13.361
  320    HD2  HIS 858           HD2      HIS  48   3.922   2.503  11.784
  321    HE1  HIS 858           HE1      HIS  48   2.342  -0.275  14.614
  322    HE2  HIS 858           HE2      HIS  48   2.704   0.184  12.136
  323    H    GLU 859           H        GLU  49   5.839   1.279  15.033
  324    HA   GLU 859           HA       GLU  49   8.117   1.185  13.202
  325    HB2  GLU 859           HB2      GLU  49   8.182  -0.592  15.655
  326    HB3  GLU 859           HB3      GLU  49   9.434  -0.250  14.523
  327    HG2  GLU 859           HG2      GLU  49   9.484   2.130  15.368
  328    HG3  GLU 859           HG3      GLU  49   8.313   1.672  16.593
  329    H    THR 860           H        THR  50   8.182  -0.600  11.908
  330    HA   THR 860           HA       THR  50   6.178  -2.796  12.324
  331    HB   THR 860           HB       THR  50   5.597  -2.943  10.075
  332    HG1  THR 860           HG1      THR  50   6.581  -1.768   8.454
  333   HG21  THR 860          HG21      THR  50   5.564   0.041  10.797
  334   HG22  THR 860          HG22      THR  50   4.313  -1.166  11.068
  335   HG23  THR 860          HG23      THR  50   4.725  -0.689   9.409
  336    H    ASP 861           H        ASP  51   7.423  -4.043   9.803
  337    HA   ASP 861           HA       ASP  51   9.728  -5.353  11.020
  338    HB2  ASP 861           HB2      ASP  51   8.468  -5.564   8.322
  339    HB3  ASP 861           HB3      ASP  51   9.808  -6.548   8.875
  340    H    ILE 862           H        ILE  52   9.051  -2.841   8.687
  341    HA   ILE 862           HA       ILE  52  11.925  -2.413   8.162
  342    HB   ILE 862           HB       ILE  52   9.503  -1.703   6.515
  343   HG12  ILE 862          HG12      ILE  52  11.918  -3.591   6.266
  344   HG13  ILE 862          HG13      ILE  52  10.228  -4.073   6.448
  345   HG21  ILE 862          HG21      ILE  52  11.057   0.166   6.413
  346   HG22  ILE 862          HG22      ILE  52  11.197  -0.769   4.927
  347   HG23  ILE 862          HG23      ILE  52  12.432  -0.942   6.211
  348   HD11  ILE 862          HD11      ILE  52   9.743  -3.057   4.242
  349   HD12  ILE 862          HD12      ILE  52  10.869  -4.433   4.201
  350   HD13  ILE 862          HD13      ILE  52  11.500  -2.788   4.037
  351    H    HIS 863           H        HIS  53   8.869  -0.874   9.158
  352    HA   HIS 863           HA       HIS  53  10.042   1.746   9.431
  353    HB2  HIS 863           HB2      HIS  53   8.026   1.855   8.797
  354    HB3  HIS 863           HB3      HIS  53   7.324   0.549   9.481
  355    HD1  HIS 863           HD1      HIS  53   5.364   2.331   9.662
  356    HD2  HIS 863           HD2      HIS  53   8.896   3.351  11.579
  357    HE1  HIS 863           HE1      HIS  53   6.008   4.625   8.848
  358    H    LYS 864           H        LYS  54  10.983   2.691  11.142
  359    HA   LYS 864           HA       LYS  54  10.872   1.366  13.789
  360    HB2  LYS 864           HB2      LYS  54  13.491   2.039  12.399
  361    HB3  LYS 864           HB3      LYS  54  13.270   1.408  14.002
  362    HG2  LYS 864           HG2      LYS  54  12.502  -0.087  11.432
  363    HG3  LYS 864           HG3      LYS  54  13.960  -0.347  12.333
  364    HD2  LYS 864           HD2      LYS  54  12.865  -1.422  14.133
  365    HD3  LYS 864           HD3      LYS  54  11.329  -0.791  13.705
  366    HE2  LYS 864           HE2      LYS  54  11.315  -3.058  13.041
  367    HE3  LYS 864           HE3      LYS  54  11.338  -2.080  11.585
  368    HZ1  LYS 864           HZ1      LYS  54  12.898  -3.893  11.353
  369    HZ2  LYS 864           HZ2      LYS  54  13.672  -3.533  12.755
  370    HZ3  LYS 864           HZ3      LYS  54  13.793  -2.534  11.460
  371    H    GLU 865           H        GLU  55  11.597   2.636  15.559
  372    HA   GLU 865           HA       GLU  55  11.087   5.449  15.275
  373    HB2  GLU 865           HB2      GLU  55  11.284   5.510  17.661
  374    HB3  GLU 865           HB3      GLU  55  10.395   4.065  17.212
  375    HG2  GLU 865           HG2      GLU  55  12.623   2.805  17.507
  376    HG3  GLU 865           HG3      GLU  55  13.307   4.304  18.109
  377    H    ASP 866           H        ASP  56  13.736   3.966  14.294
  378    HA   ASP 866           HA       ASP  56  15.933   5.311  15.506
  379    HB2  ASP 866           HB2      ASP  56  15.602   3.809  12.950
  380    HB3  ASP 866           HB3      ASP  56  17.142   4.422  13.511
  381    H    HIS 867           H        HIS  57  13.583   6.372  13.248
  382    HA   HIS 867           HA       HIS  57  15.411   8.201  11.824
  383    HB2  HIS 867           HB2      HIS  57  13.864   8.002  10.083
  384    HB3  HIS 867           HB3      HIS  57  14.300   6.437  10.684
  385    HD1  HIS 867           HD1      HIS  57  11.303   8.555  12.163
  386    HD2  HIS 867           HD2      HIS  57  12.349   5.217   9.864
  387    HE1  HIS 867           HE1      HIS  57   9.121   7.686  11.176
  388    H    GLN 868           H        GLN  58  13.352   9.615  10.659
  389    HA   GLN 868           HA       GLN  58  11.810  11.183  12.546
  390    HB2  GLN 868           HB2      GLN  58  12.648  13.361  11.764
  391    HB3  GLN 868           HB3      GLN  58  13.898  12.456  12.598
  392    HG2  GLN 868           HG2      GLN  58  13.682  12.551   9.552
  393    HG3  GLN 868           HG3      GLN  58  14.598  13.720  10.499
  394   HE21  GLN 868          HE21      GLN  58  16.351  12.703  12.004
  395   HE22  GLN 868          HE22      GLN  58  17.180  11.320  11.301
  396    H    LEU 869           H        LEU  59  10.245  12.606  11.393
  397    HA   LEU 869           HA       LEU  59   9.436  11.485   8.736
  398    HB2  LEU 869           HB2      LEU  59   7.813  13.040  10.780
  399    HB3  LEU 869           HB3      LEU  59   7.235  12.284   9.289
  400    HG   LEU 869           HG       LEU  59   6.451  11.102  11.140
  401   HD11  LEU 869          HD11      LEU  59   7.118   8.834  10.564
  402   HD12  LEU 869          HD12      LEU  59   8.604   9.445   9.811
  403   HD13  LEU 869          HD13      LEU  59   7.005   9.824   9.118
  404   HD21  LEU 869          HD21      LEU  59   8.214  11.597  12.819
  405   HD22  LEU 869          HD22      LEU  59   9.203  10.302  12.089
  406   HD23  LEU 869          HD23      LEU  59   7.628   9.928  12.794
  407    H    GLU 870           H        GLU  60   8.569  12.927   7.157
  408    HA   GLU 870           HA       GLU  60   9.535  15.759   7.362
  409    HB2  GLU 870           HB2      GLU  60  10.745  14.448   5.722
  410    HB3  GLU 870           HB3      GLU  60   9.241  13.932   4.976
  411    HG2  GLU 870           HG2      GLU  60  10.298  15.558   3.640
  412    HG3  GLU 870           HG3      GLU  60   8.778  16.222   4.245
  413    HA   PRO 871           HA       PRO  61   5.076  16.540   6.880
  414    HB2  PRO 871           HB2      PRO  61   5.029  19.168   7.558
  415    HB3  PRO 871           HB3      PRO  61   5.194  17.864   8.766
  416    HG2  PRO 871           HG2      PRO  61   7.352  19.623   7.595
  417    HG3  PRO 871           HG3      PRO  61   7.151  19.085   9.290
  418    HD2  PRO 871           HD2      PRO  61   8.847  17.909   7.411
  419    HD3  PRO 871           HD3      PRO  61   8.218  17.069   8.850
  420    H    ILE 872           H        ILE  62   3.980  17.196   4.992
  421    HA   ILE 872           HA       ILE  62   5.412  19.048   3.132
  422    HB   ILE 872           HB       ILE  62   3.487  17.022   2.155
  423   HG12  ILE 872          HG12      ILE  62   6.380  16.578   2.952
  424   HG13  ILE 872          HG13      ILE  62   4.950  15.554   3.228
  425   HG21  ILE 872          HG21      ILE  62   4.258  19.063   0.813
  426   HG22  ILE 872          HG22      ILE  62   4.633  17.521   0.056
  427   HG23  ILE 872          HG23      ILE  62   5.906  18.423   0.905
  428   HD11  ILE 872          HD11      ILE  62   6.440  16.024   0.657
  429   HD12  ILE 872          HD12      ILE  62   4.895  15.132   0.768
  430   HD13  ILE 872          HD13      ILE  62   6.354  14.518   1.603
  431    H    TYR 873           H        TYR  63   4.465  20.879   2.975
  432    HA   TYR 873           HA       TYR  63   1.751  21.302   3.980
  433    HB2  TYR 873           HB2      TYR  63   4.071  23.200   3.482
  434    HB3  TYR 873           HB3      TYR  63   2.499  23.686   4.085
  435    HD1  TYR 873           HD1      TYR  63   1.612  22.648   6.256
  436    HD2  TYR 873           HD2      TYR  63   5.744  22.414   5.030
  437    HE1  TYR 873           HE1      TYR  63   2.269  22.127   8.591
  438    HE2  TYR 873           HE2      TYR  63   6.402  21.898   7.376
  439    HH   TYR 873           HH       TYR  63   4.025  21.741  10.054
  440    H    ARG 874           H        ARG  64   2.523  20.317   1.251
  441    HA   ARG 874           HA       ARG  64   0.601  21.774  -0.343
  442    HB2  ARG 874           HB2      ARG  64   2.191  22.307  -2.185
  443    HB3  ARG 874           HB3      ARG  64   2.470  23.248  -0.720
  444    HG2  ARG 874           HG2      ARG  64   4.347  21.734  -0.093
  445    HG3  ARG 874           HG3      ARG  64   4.092  20.794  -1.571
  446    HD2  ARG 874           HD2      ARG  64   4.648  23.768  -1.468
  447    HD3  ARG 874           HD3      ARG  64   5.918  22.530  -1.642
  448    HE   ARG 874           HE       ARG  64   4.079  22.019  -3.692
  449   HH11  ARG 874          HH11      ARG  64   6.254  24.650  -2.896
  450   HH12  ARG 874          HH12      ARG  64   6.404  25.150  -4.558
  451   HH21  ARG 874          HH21      ARG  64   4.306  22.719  -5.789
  452   HH22  ARG 874          HH22      ARG  64   5.340  24.069  -6.152
  453    H1   ALA   1           H1       ALA  65   0.454   4.100   4.071
  454    H2   ALA   1           H2       ALA  65  -0.681   5.062   3.364
  455    H3   ALA   1           H3       ALA  65   0.905   5.446   3.240
  456    HA   ALA   1           HA       ALA  65   1.334   3.424   2.020
  457    HB1  ALA   1           HB1      ALA  65  -0.548   2.160   1.075
  458    HB2  ALA   1           HB2      ALA  65  -1.704   3.152   1.990
  459    HB3  ALA   1           HB3      ALA  65  -0.559   2.079   2.838
  460    H    ARG   2           H        ARG  66   2.122   4.360   0.388
  461    HA   ARG   2           HA       ARG  66   1.120   6.353  -1.312
  462    HB2  ARG   2           HB2      ARG  66   3.050   5.891  -2.646
  463    HB3  ARG   2           HB3      ARG  66   3.468   5.747  -0.961
  464    HG2  ARG   2           HG2      ARG  66   3.283   3.572  -3.057
  465    HG3  ARG   2           HG3      ARG  66   4.653   4.049  -2.091
  466    HD2  ARG   2           HD2      ARG  66   3.572   3.040  -0.074
  467    HD3  ARG   2           HD3      ARG  66   2.216   2.504  -1.071
  468    HE   ARG   2           HE       ARG  66   4.864   1.299  -0.874
  469   HH11  ARG   2          HH11      ARG  66   2.125   1.521  -3.104
  470   HH12  ARG   2          HH12      ARG  66   2.550   0.009  -3.849
  471   HH21  ARG   2          HH21      ARG  66   5.313  -0.534  -1.862
  472   HH22  ARG   2          HH22      ARG  66   4.317  -1.146  -3.170
  473    H    THR   3           H        THR  67  -1.167   5.366  -1.441
  474    HA   THR   3           HA       THR  67  -1.711   3.383  -3.497
  475    HB   THR   3           HB       THR  67  -4.006   4.284  -3.444
  476    HG1  THR   3           HG1      THR  67  -4.481   5.965  -2.037
  477   HG21  THR   3          HG21      THR  67  -4.557   3.731  -1.143
  478   HG22  THR   3          HG22      THR  67  -2.878   3.997  -0.623
  479   HG23  THR   3          HG23      THR  67  -3.277   2.636  -1.701
  480   HH31  ALY   4           H26      ALY  68   1.926  15.034  -4.499
  481   HH32  ALY   4           H27      ALY  68   0.246  15.546  -4.210
  482   HH33  ALY   4           H28      ALY  68   1.014  15.861  -5.781
  483    HZ   ALY   4           HZ1      ALY  68   0.945  12.981  -3.686
  484    HE3  ALY   4           HE3      ALY  68  -0.095  10.929  -3.950
  485    HE2  ALY   4           HE2      ALY  68  -0.828  11.495  -5.459
  486    HD3  ALY   4           HD3      ALY  68   1.467  11.279  -6.546
  487    HD2  ALY   4           HD2      ALY  68   2.025  10.461  -5.087
  488    HG3  ALY   4           HG3      ALY  68  -0.354   9.569  -6.777
  489    HG2  ALY   4           HG2      ALY  68   1.287   8.964  -7.012
  490    HB3  ALY   4           HB3      ALY  68   1.317   7.858  -4.892
  491    HB2  ALY   4           HB2      ALY  68  -0.094   8.725  -4.325
  492    HA   ALY   4           HA       ALY  68  -1.450   7.580  -6.170
  493    H    ALY   4           H        ALY  68  -0.748   6.700  -3.633
  494    H    GLN   5           H        GLN  69   1.050   5.124  -5.408
  495    HA   GLN   5           HA       GLN  69   2.297   5.130  -8.011
  496    HB2  GLN   5           HB2      GLN  69   2.252   3.045  -5.793
  497    HB3  GLN   5           HB3      GLN  69   3.198   2.905  -7.283
  498    HG2  GLN   5           HG2      GLN  69   4.368   5.042  -6.743
  499    HG3  GLN   5           HG3      GLN  69   3.488   5.136  -5.217
  500   HE21  GLN   5          HE21      GLN  69   6.066   5.247  -4.768
  501   HE22  GLN   5          HE22      GLN  69   6.712   3.697  -4.255
  502    H    THR   6           H        THR  70   1.589   4.401  -9.870
  503    HA   THR   6           HA       THR  70   0.259   3.579 -11.485
  504    HB   THR   6           HB       THR  70  -0.064   1.039  -9.862
  505    HG1  THR   6           HG1      THR  70   2.122   1.643  -9.853
  506   HG21  THR   6          HG21      THR  70   0.232  -0.029 -12.102
  507   HG22  THR   6          HG22      THR  70   0.230   1.577 -12.862
  508   HG23  THR   6          HG23      THR  70  -1.223   0.962 -12.054
  509    H    ALA   7           H        ALA  71  -1.082   5.285  -9.680
  510    HA   ALA   7           HA       ALA  71  -3.774   4.338  -9.205
  511    HB1  ALA   7           HB1      ALA  71  -2.655   7.162  -9.445
  512    HB2  ALA   7           HB2      ALA  71  -2.812   6.201  -7.950
  513    HB3  ALA   7           HB3      ALA  71  -4.260   6.731  -8.820
  514    H    ARG   8           H        ARG  72  -5.702   5.003 -10.276
  515    HA   ARG   8           HA       ARG  72  -5.629   6.098 -13.006
  516    HB2  ARG   8           HB2      ARG  72  -5.246   3.669 -13.314
  517    HB3  ARG   8           HB3      ARG  72  -6.743   3.319 -12.440
  518    HG2  ARG   8           HG2      ARG  72  -8.043   4.530 -14.178
  519    HG3  ARG   8           HG3      ARG  72  -6.550   4.920 -15.040
  520    HD2  ARG   8           HD2      ARG  72  -7.598   2.107 -14.491
  521    HD3  ARG   8           HD3      ARG  72  -7.818   2.978 -16.003
  522    HE   ARG   8           HE       ARG  72  -5.385   1.669 -15.022
  523   HH11  ARG   8          HH11      ARG  72  -6.575   3.932 -17.426
  524   HH12  ARG   8          HH12      ARG  72  -5.159   3.744 -18.428
  525   HH21  ARG   8          HH21      ARG  72  -3.630   1.469 -16.353
  526   HH22  ARG   8          HH22      ARG  72  -3.549   2.372 -17.838
  Start of MODEL    7
    1    H1   GLY 811           H1       GLY   1  -4.484  30.605   6.471
    2    H2   GLY 811           H2       GLY   1  -3.990  29.107   6.913
    3    H3   GLY 811           H3       GLY   1  -5.342  29.291   6.004
    4    HA2  GLY 811           HA2      GLY   1  -4.059  30.145   4.143
    5    HA3  GLY 811           HA3      GLY   1  -2.594  29.967   5.123
    6    HA   PRO 812           HA       PRO   2  -4.117  26.125   2.688
    7    HB2  PRO 812           HB2      PRO   2  -2.473  26.067   0.471
    8    HB3  PRO 812           HB3      PRO   2  -4.007  26.979   0.556
    9    HG2  PRO 812           HG2      PRO   2  -1.203  28.026   1.072
   10    HG3  PRO 812           HG3      PRO   2  -2.464  28.720   0.002
   11    HD2  PRO 812           HD2      PRO   2  -2.112  29.666   2.499
   12    HD3  PRO 812           HD3      PRO   2  -3.764  29.440   1.851
   13    H    LEU 813           H        LEU   3  -0.931  27.115   3.555
   14    HA   LEU 813           HA       LEU   3   0.468  24.620   3.452
   15    HB2  LEU 813           HB2      LEU   3   0.894  26.933   5.387
   16    HB3  LEU 813           HB3      LEU   3   2.056  25.672   4.993
   17    HG   LEU 813           HG       LEU   3   1.059  27.828   3.082
   18   HD11  LEU 813          HD11      LEU   3   2.589  28.647   4.842
   19   HD12  LEU 813          HD12      LEU   3   3.351  28.681   3.249
   20   HD13  LEU 813          HD13      LEU   3   3.770  27.399   4.404
   21   HD21  LEU 813          HD21      LEU   3   3.165  25.663   2.655
   22   HD22  LEU 813          HD22      LEU   3   2.827  27.019   1.556
   23   HD23  LEU 813          HD23      LEU   3   1.596  25.780   1.825
   24    H    GLY 814           H        GLY   4  -1.991  25.660   5.683
   25    HA2  GLY 814           HA2      GLY   4  -1.469  23.370   7.536
   26    HA3  GLY 814           HA3      GLY   4  -2.515  24.749   7.850
   27    H    SER 815           H        SER   5  -2.897  23.491   4.667
   28    HA   SER 815           HA       SER   5  -5.186  21.782   5.332
   29    HB2  SER 815           HB2      SER   5  -5.935  24.173   5.288
   30    HB3  SER 815           HB3      SER   5  -5.474  24.246   3.580
   31    HG   SER 815           HG       SER   5  -7.025  22.628   3.148
   32    H    VAL 816           H        VAL   6  -2.527  21.397   4.086
   33    HA   VAL 816           HA       VAL   6  -2.589  21.189   1.269
   34    HB   VAL 816           HB       VAL   6  -0.927  19.803   3.420
   35   HG11  VAL 816          HG11      VAL   6   0.855  19.656   1.857
   36   HG12  VAL 816          HG12      VAL   6  -0.145  20.391   0.579
   37   HG13  VAL 816          HG13      VAL   6  -0.567  18.785   1.259
   38   HG21  VAL 816          HG21      VAL   6   0.635  21.608   3.261
   39   HG22  VAL 816          HG22      VAL   6  -0.907  22.331   3.603
   40   HG23  VAL 816          HG23      VAL   6  -0.294  22.393   1.942
   41    H    GLN 817           H        GLN   7  -3.306  19.687  -0.076
   42    HA   GLN 817           HA       GLN   7  -4.435  17.169   1.048
   43    HB2  GLN 817           HB2      GLN   7  -5.618  17.064  -1.109
   44    HB3  GLN 817           HB3      GLN   7  -6.032  18.457  -0.115
   45    HG2  GLN 817           HG2      GLN   7  -5.625  19.879  -1.750
   46    HG3  GLN 817           HG3      GLN   7  -3.969  19.344  -1.878
   47   HE21  GLN 817          HE21      GLN   7  -3.543  17.372  -3.180
   48   HE22  GLN 817          HE22      GLN   7  -4.504  17.161  -4.658
   49    H    HIS 818           H        HIS   8  -3.307  15.310   0.874
   50    HA   HIS 818           HA       HIS   8  -1.353  15.056  -1.388
   51    HB2  HIS 818           HB2      HIS   8  -1.103  14.506   1.490
   52    HB3  HIS 818           HB3      HIS   8  -0.552  13.216   0.439
   53    HD2  HIS 818           HD2      HIS   8   0.452  16.666   1.566
   54    HE1  HIS 818           HE1      HIS   8   2.953  15.851  -1.775
   55    HE2  HIS 818           HE2      HIS   8   2.476  17.498   0.058
   56    H    VAL 819           H        VAL   9  -3.269  14.653  -2.591
   57    HA   VAL 819           HA       VAL   9  -4.599  12.123  -2.666
   58    HB   VAL 819           HB       VAL   9  -3.936  14.122  -4.832
   59   HG11  VAL 819          HG11      VAL   9  -4.332  11.917  -5.879
   60   HG12  VAL 819          HG12      VAL   9  -5.702  12.999  -6.138
   61   HG13  VAL 819          HG13      VAL   9  -5.819  11.722  -4.914
   62   HG21  VAL 819          HG21      VAL   9  -6.463  13.473  -3.222
   63   HG22  VAL 819          HG22      VAL   9  -6.366  14.662  -4.541
   64   HG23  VAL 819          HG23      VAL   9  -5.475  14.936  -3.045
   65    H    GLY 820           H        GLY  10  -3.853  10.168  -2.967
   66    HA2  GLY 820           HA2      GLY  10  -2.464   8.491  -3.890
   67    HA3  GLY 820           HA3      GLY  10  -1.241   9.692  -4.285
   68    H    PHE 821           H        PHE  11  -2.141  10.313  -1.055
   69    HA   PHE 821           HA       PHE  11  -0.287   8.227   0.047
   70    HB2  PHE 821           HB2      PHE  11  -0.218  11.126   0.835
   71    HB3  PHE 821           HB3      PHE  11   0.856   9.839   1.338
   72    HD1  PHE 821           HD1      PHE  11   2.946   9.651   0.288
   73    HD2  PHE 821           HD2      PHE  11  -0.191  11.926  -1.568
   74    HE1  PHE 821           HE1      PHE  11   4.567  10.551  -1.381
   75    HE2  PHE 821           HE2      PHE  11   1.424  12.912  -3.143
   76    HZ   PHE 821           HZ       PHE  11   3.814  12.298  -3.001
   77    H    LYS 822           H        LYS  12  -1.947   7.081   0.896
   78    HA   LYS 822           HA       LYS  12  -3.806   8.255   2.919
   79    HB2  LYS 822           HB2      LYS  12  -4.947   6.822   1.628
   80    HB3  LYS 822           HB3      LYS  12  -3.640   5.788   1.286
   81    HG2  LYS 822           HG2      LYS  12  -4.699   5.728   4.139
   82    HG3  LYS 822           HG3      LYS  12  -5.773   5.225   2.875
   83    HD2  LYS 822           HD2      LYS  12  -4.115   3.558   2.053
   84    HD3  LYS 822           HD3      LYS  12  -2.968   4.123   3.273
   85    HE2  LYS 822           HE2      LYS  12  -3.979   2.036   3.955
   86    HE3  LYS 822           HE3      LYS  12  -4.366   3.342   5.074
   87    HZ1  LYS 822           HZ1      LYS  12  -6.303   1.877   4.487
   88    HZ2  LYS 822           HZ2      LYS  12  -6.241   2.381   2.946
   89    HZ3  LYS 822           HZ3      LYS  12  -6.611   3.446   4.153
   90    H    CYS 823           H        CYS  13  -3.652   7.826   5.093
   91    HA   CYS 823           HA       CYS  13  -1.032   7.581   6.202
   92    HB2  CYS 823           HB2      CYS  13  -2.850   8.983   7.070
   93    HB3  CYS 823           HB3      CYS  13  -3.789   7.540   7.401
   94    H    ASP 824           H        ASP  14  -0.248   6.161   7.660
   95    HA   ASP 824           HA       ASP  14  -0.956   3.267   7.377
   96    HB2  ASP 824           HB2      ASP  14   1.514   4.746   8.346
   97    HB3  ASP 824           HB3      ASP  14   1.261   3.041   8.658
   98    H    ASN 825           H        ASN  15  -0.671   5.821   9.819
   99    HA   ASN 825           HA       ASN  15  -1.017   4.120  12.123
  100    HB2  ASN 825           HB2      ASN  15  -0.150   6.406  12.281
  101    HB3  ASN 825           HB3      ASN  15  -1.731   7.057  11.765
  102   HD21  ASN 825          HD21      ASN  15  -2.061   8.227  13.684
  103   HD22  ASN 825          HD22      ASN  15  -2.329   7.414  15.236
  104    H    CYS 826           H        CYS  16  -3.471   6.272  10.568
  105    HA   CYS 826           HA       CYS  16  -5.572   4.724  11.956
  106    HB2  CYS 826           HB2      CYS  16  -6.770   6.700  12.141
  107    HB3  CYS 826           HB3      CYS  16  -5.110   7.155  12.516
  108    H    GLY 827           H        GLY  17  -4.384   5.245   8.783
  109    HA2  GLY 827           HA2      GLY  17  -4.909   3.925   6.992
  110    HA3  GLY 827           HA3      GLY  17  -6.432   3.471   7.725
  111    H    ILE 828           H        ILE  18  -6.182   6.812   7.961
  112    HA   ILE 828           HA       ILE  18  -8.336   7.286   6.284
  113    HB   ILE 828           HB       ILE  18  -7.774   8.700   8.164
  114   HG12  ILE 828          HG12      ILE  18  -7.677  10.410   5.661
  115   HG13  ILE 828          HG13      ILE  18  -9.118   9.559   6.141
  116   HG21  ILE 828          HG21      ILE  18  -5.443   9.783   6.485
  117   HG22  ILE 828          HG22      ILE  18  -5.281   8.758   7.908
  118   HG23  ILE 828          HG23      ILE  18  -5.989  10.340   8.081
  119   HD11  ILE 828          HD11      ILE  18  -9.279  11.832   6.921
  120   HD12  ILE 828          HD12      ILE  18  -7.726  11.723   7.761
  121   HD13  ILE 828          HD13      ILE  18  -9.116  10.767   8.329
  122    H    GLU 829           H        GLU  19  -8.634   8.083   4.345
  123    HA   GLU 829           HA       GLU  19  -6.860   7.560   2.209
  124    HB2  GLU 829           HB2      GLU  19  -8.519   9.370   1.151
  125    HB3  GLU 829           HB3      GLU  19  -8.897   7.687   1.228
  126    HG2  GLU 829           HG2      GLU  19  -9.763   9.728   3.339
  127    HG3  GLU 829           HG3      GLU  19 -10.706   9.385   1.899
  128    HA   PRO 830           HA       PRO  20  -4.057  10.646   0.930
  129    HB2  PRO 830           HB2      PRO  20  -6.628  12.031   0.077
  130    HB3  PRO 830           HB3      PRO  20  -5.021  12.004  -0.710
  131    HG2  PRO 830           HG2      PRO  20  -7.151  10.260  -1.142
  132    HG3  PRO 830           HG3      PRO  20  -5.478   9.988  -1.722
  133    HD2  PRO 830           HD2      PRO  20  -6.696   8.371   0.146
  134    HD3  PRO 830           HD3      PRO  20  -4.938   8.601  -0.007
  135    H    ILE 831           H        ILE  21  -3.168  11.319   2.755
  136    HA   ILE 831           HA       ILE  21  -4.296  12.568   4.922
  137    HB   ILE 831           HB       ILE  21  -1.477  12.694   3.823
  138   HG12  ILE 831          HG12      ILE  21  -2.492  11.118   6.223
  139   HG13  ILE 831          HG13      ILE  21  -2.661  10.467   4.608
  140   HG21  ILE 831          HG21      ILE  21  -1.631  14.626   5.300
  141   HG22  ILE 831          HG22      ILE  21  -0.764  13.363   6.165
  142   HG23  ILE 831          HG23      ILE  21  -2.467  13.669   6.535
  143   HD11  ILE 831          HD11      ILE  21  -0.285  10.613   4.188
  144   HD12  ILE 831          HD12      ILE  21  -0.621   9.646   5.637
  145   HD13  ILE 831          HD13      ILE  21  -0.009  11.299   5.806
  146    H    GLN 832           H        GLN  22  -4.733  14.500   5.708
  147    HA   GLN 832           HA       GLN  22  -4.595  16.799   3.811
  148    HB2  GLN 832           HB2      GLN  22  -6.658  16.263   5.966
  149    HB3  GLN 832           HB3      GLN  22  -6.615  17.630   4.850
  150    HG2  GLN 832           HG2      GLN  22  -6.923  14.725   3.969
  151    HG3  GLN 832           HG3      GLN  22  -8.253  15.821   4.254
  152   HE21  GLN 832          HE21      GLN  22  -6.619  14.525   1.753
  153   HE22  GLN 832          HE22      GLN  22  -6.908  15.827   0.592
  154    H    GLY 833           H        GLY  23  -3.812  18.690   4.463
  155    HA2  GLY 833           HA2      GLY  23  -3.586  20.421   6.205
  156    HA3  GLY 833           HA3      GLY  23  -3.123  19.184   7.328
  157    H    VAL 834           H        VAL  24  -1.290  17.807   6.588
  158    HA   VAL 834           HA       VAL  24   0.918  18.923   5.087
  159    HB   VAL 834           HB       VAL  24   0.922  20.007   7.338
  160   HG11  VAL 834          HG11      VAL  24   1.489  17.275   8.484
  161   HG12  VAL 834          HG12      VAL  24  -0.032  18.194   8.653
  162   HG13  VAL 834          HG13      VAL  24   1.465  18.834   9.352
  163   HG21  VAL 834          HG21      VAL  24   3.080  19.747   6.197
  164   HG22  VAL 834          HG22      VAL  24   3.263  18.105   6.878
  165   HG23  VAL 834          HG23      VAL  24   3.292  19.527   7.933
  166    H    ARG 835           H        ARG  25   2.155  17.097   4.334
  167    HA   ARG 835           HA       ARG  25   1.156  14.424   5.285
  168    HB2  ARG 835           HB2      ARG  25   1.207  14.702   2.894
  169    HB3  ARG 835           HB3      ARG  25   2.931  15.090   2.913
  170    HG2  ARG 835           HG2      ARG  25   3.458  12.805   3.680
  171    HG3  ARG 835           HG3      ARG  25   1.721  12.452   3.832
  172    HD2  ARG 835           HD2      ARG  25   2.476  11.473   1.803
  173    HD3  ARG 835           HD3      ARG  25   1.488  12.843   1.368
  174    HE   ARG 835           HE       ARG  25   3.334  13.907   0.440
  175   HH11  ARG 835          HH11      ARG  25   4.406  10.918   1.985
  176   HH12  ARG 835          HH12      ARG  25   6.009  11.060   1.327
  177   HH21  ARG 835          HH21      ARG  25   5.456  13.982  -0.378
  178   HH22  ARG 835          HH22      ARG  25   6.567  12.710   0.024
  179    H    TRP 836           H        TRP  26   2.743  12.809   5.884
  180    HA   TRP 836           HA       TRP  26   5.287  13.965   6.935
  181    HB2  TRP 836           HB2      TRP  26   3.428  12.165   8.500
  182    HB3  TRP 836           HB3      TRP  26   5.098  12.363   8.845
  183    HD1  TRP 836           HD1      TRP  26   1.922  14.462   9.015
  184    HE1  TRP 836           HE1      TRP  26   2.405  16.519  10.530
  185    HE3  TRP 836           HE3      TRP  26   6.982  14.106   9.312
  186    HZ2  TRP 836           HZ2      TRP  26   4.632  17.541  12.025
  187    HZ3  TRP 836           HZ3      TRP  26   8.271  15.492  10.911
  188    HH2  TRP 836           HH2      TRP  26   7.106  17.181  12.305
  189    H    HIS 837           H        HIS  27   6.636  13.201   5.569
  190    HA   HIS 837           HA       HIS  27   6.356  10.513   4.286
  191    HB2  HIS 837           HB2      HIS  27   6.885  12.595   2.950
  192    HB3  HIS 837           HB3      HIS  27   8.347  12.805   3.884
  193    HD2  HIS 837           HD2      HIS  27  10.449  11.274   3.324
  194    HE1  HIS 837           HE1      HIS  27   8.738   9.116   0.067
  195    HE2  HIS 837           HE2      HIS  27  10.892   9.604   1.335
  196    H    CYS 838           H        CYS  28   7.199   8.830   5.348
  197    HA   CYS 838           HA       CYS  28   9.044   9.081   7.461
  198    HB2  CYS 838           HB2      CYS  28   7.989   6.872   5.731
  199    HB3  CYS 838           HB3      CYS  28   9.453   6.569   6.672
  200    H    GLN 839           H        GLN  29  11.276   9.336   7.576
  201    HA   GLN 839           HA       GLN  29  12.640   9.871   5.078
  202    HB2  GLN 839           HB2      GLN  29  13.658   9.774   7.936
  203    HB3  GLN 839           HB3      GLN  29  14.625  10.219   6.542
  204    HG2  GLN 839           HG2      GLN  29  12.842  12.018   6.037
  205    HG3  GLN 839           HG3      GLN  29  12.277  11.773   7.687
  206   HE21  GLN 839          HE21      GLN  29  13.168  14.359   7.112
  207   HE22  GLN 839          HE22      GLN  29  14.775  14.565   7.734
  208    H    ASP 840           H        ASP  30  12.779   7.170   7.422
  209    HA   ASP 840           HA       ASP  30  15.062   5.958   5.945
  210    HB2  ASP 840           HB2      ASP  30  15.190   6.380   8.377
  211    HB3  ASP 840           HB3      ASP  30  13.811   5.333   8.618
  212    H    CYS 841           H        CYS  31  11.639   5.274   6.745
  213    HA   CYS 841           HA       CYS  31  11.660   2.568   5.872
  214    HB2  CYS 841           HB2      CYS  31   9.337   4.516   5.778
  215    HB3  CYS 841           HB3      CYS  31   9.268   2.783   5.622
  216    HA   PRO 842           HA       PRO  32  12.739   3.249   1.715
  217    HB2  PRO 842           HB2      PRO  32  12.240   0.871   0.479
  218    HB3  PRO 842           HB3      PRO  32  13.413   1.036   1.818
  219    HG2  PRO 842           HG2      PRO  32  10.513   0.150   1.996
  220    HG3  PRO 842           HG3      PRO  32  11.959  -0.668   2.667
  221    HD2  PRO 842           HD2      PRO  32  10.382   1.015   4.157
  222    HD3  PRO 842           HD3      PRO  32  12.139   0.892   4.411
  223    HA   PRO 843           HA       PRO  33   9.454   4.775  -0.898
  224    HB2  PRO 843           HB2      PRO  33  11.057   3.542  -3.161
  225    HB3  PRO 843           HB3      PRO  33  10.276   5.150  -3.077
  226    HG2  PRO 843           HG2      PRO  33  12.921   4.942  -2.627
  227    HG3  PRO 843           HG3      PRO  33  11.929   5.931  -1.497
  228    HD2  PRO 843           HD2      PRO  33  12.901   3.078  -1.141
  229    HD3  PRO 843           HD3      PRO  33  12.929   4.444   0.017
  230    H    GLU 844           H        GLU  34  10.447   1.410  -1.491
  231    HA   GLU 844           HA       GLU  34   8.186   0.469  -2.909
  232    HB2  GLU 844           HB2      GLU  34  10.287  -0.741  -2.626
  233    HB3  GLU 844           HB3      GLU  34   9.976  -0.948  -0.894
  234    HG2  GLU 844           HG2      GLU  34   8.029  -2.355  -1.356
  235    HG3  GLU 844           HG3      GLU  34   8.169  -2.041  -3.090
  236    H    MET 845           H        MET  35   8.608   1.019   0.549
  237    HA   MET 845           HA       MET  35   5.887   0.022   1.218
  238    HB2  MET 845           HB2      MET  35   8.134   1.104   2.949
  239    HB3  MET 845           HB3      MET  35   6.561   0.550   3.548
  240    HG2  MET 845           HG2      MET  35   8.526  -1.189   2.008
  241    HG3  MET 845           HG3      MET  35   8.401  -1.122   3.764
  242    HE1  MET 845           HE1      MET  35   5.101  -2.927   4.612
  243    HE2  MET 845           HE2      MET  35   5.388  -1.177   4.570
  244    HE3  MET 845           HE3      MET  35   6.638  -2.266   5.219
  245    H    SER 846           H        SER  36   7.783   3.030   1.339
  246    HA   SER 846           HA       SER  36   7.311   5.197   1.792
  247    HB2  SER 846           HB2      SER  36   6.818   4.949  -0.597
  248    HB3  SER 846           HB3      SER  36   5.105   4.704  -0.209
  249    HG   SER 846           HG       SER  36   5.705   6.931  -0.732
  250    H    LEU 847           H        LEU  37   6.819   4.956   3.992
  251    HA   LEU 847           HA       LEU  37   4.026   4.604   4.812
  252    HB2  LEU 847           HB2      LEU  37   6.651   4.771   6.303
  253    HB3  LEU 847           HB3      LEU  37   5.167   5.165   7.122
  254    HG   LEU 847           HG       LEU  37   4.353   2.778   6.110
  255   HD11  LEU 847          HD11      LEU  37   6.080   1.160   5.995
  256   HD12  LEU 847          HD12      LEU  37   7.311   2.334   6.489
  257   HD13  LEU 847          HD13      LEU  37   6.554   2.460   4.877
  258   HD21  LEU 847          HD21      LEU  37   4.396   3.334   8.433
  259   HD22  LEU 847          HD22      LEU  37   6.175   3.226   8.401
  260   HD23  LEU 847          HD23      LEU  37   5.173   1.757   8.187
  261    H    ASP 848           H        ASP  38   2.769   6.154   5.964
  262    HA   ASP 848           HA       ASP  38   3.668   8.930   5.841
  263    HB2  ASP 848           HB2      ASP  38   1.136   8.102   4.416
  264    HB3  ASP 848           HB3      ASP  38   1.727   9.734   4.699
  265    H    PHE 849           H        PHE  39   2.612  10.328   7.206
  266    HA   PHE 849           HA       PHE  39   0.344   9.255   8.811
  267    HB2  PHE 849           HB2      PHE  39   2.768  10.636  10.059
  268    HB3  PHE 849           HB3      PHE  39   1.349  10.026  10.853
  269    HD1  PHE 849           HD1      PHE  39   1.233   7.841  11.620
  270    HD2  PHE 849           HD2      PHE  39   4.335   8.840   8.794
  271    HE1  PHE 849           HE1      PHE  39   2.157   5.539  11.815
  272    HE2  PHE 849           HE2      PHE  39   5.219   6.614   8.999
  273    HZ   PHE 849           HZ       PHE  39   4.198   4.893  10.492
  274    H    CYS 850           H        CYS  40  -1.201  10.693   9.531
  275    HA   CYS 850           HA       CYS  40  -1.414  13.266   8.423
  276    HB2  CYS 850           HB2      CYS  40  -2.712  12.131  10.930
  277    HB3  CYS 850           HB3      CYS  40  -3.342  13.452   9.950
  278    H    ASP 851           H        ASP  41  -1.909  15.250   9.783
  279    HA   ASP 851           HA       ASP  41   0.325  16.315  11.113
  280    HB2  ASP 851           HB2      ASP  41  -1.036  18.165  11.587
  281    HB3  ASP 851           HB3      ASP  41  -1.583  17.561  10.039
  282    H    SER 852           H        SER  42  -2.383  14.491  12.464
  283    HA   SER 852           HA       SER  42  -1.467  14.833  15.225
  284    HB2  SER 852           HB2      SER  42  -3.883  14.820  14.701
  285    HB3  SER 852           HB3      SER  42  -3.729  13.171  14.071
  286    HG   SER 852           HG       SER  42  -3.422  14.077  16.757
  287    H    CYS 853           H        CYS  43  -1.547  12.249  12.726
  288    HA   CYS 853           HA       CYS  43  -0.820  10.147  14.511
  289    HB2  CYS 853           HB2      CYS  43  -0.842  10.379  11.504
  290    HB3  CYS 853           HB3      CYS  43  -0.667   8.893  12.399
  291    H    SER 854           H        SER  44   1.005  12.460  12.655
  292    HA   SER 854           HA       SER  44   3.533  11.120  12.478
  293    HB2  SER 854           HB2      SER  44   4.383  13.335  12.099
  294    HB3  SER 854           HB3      SER  44   2.803  13.204  11.334
  295    HG   SER 854           HG       SER  44   3.079  15.167  12.598
  296    H    ASP 855           H        ASP  45   1.799  12.400  15.205
  297    HA   ASP 855           HA       ASP  45   4.130  12.486  16.968
  298    HB2  ASP 855           HB2      ASP  45   2.097  14.042  17.161
  299    HB3  ASP 855           HB3      ASP  45   1.201  12.636  17.746
  300    H    CYS 856           H        CYS  46   2.254  10.029  15.628
  301    HA   CYS 856           HA       CYS  46   2.181   8.242  17.921
  302    HB2  CYS 856           HB2      CYS  46   0.534   8.178  15.928
  303    HB3  CYS 856           HB3      CYS  46   1.870   7.504  14.990
  304    HG   CYS 856           HG       CYS  46   0.379   6.334  17.718
  305    H    LEU 857           H        LEU  47   3.574   6.549  18.223
  306    HA   LEU 857           HA       LEU  47   6.081   6.537  16.609
  307    HB2  LEU 857           HB2      LEU  47   6.439   7.181  18.928
  308    HB3  LEU 857           HB3      LEU  47   5.791   5.636  19.484
  309    HG   LEU 857           HG       LEU  47   7.659   4.422  18.505
  310   HD11  LEU 857          HD11      LEU  47   8.047   5.468  16.407
  311   HD12  LEU 857          HD12      LEU  47   9.512   5.810  17.343
  312   HD13  LEU 857          HD13      LEU  47   8.299   7.071  17.150
  313   HD21  LEU 857          HD21      LEU  47   9.533   5.420  19.713
  314   HD22  LEU 857          HD22      LEU  47   8.049   5.568  20.665
  315   HD23  LEU 857          HD23      LEU  47   8.686   6.986  19.794
  316    H    HIS 858           H        HIS  48   4.827   5.455  15.053
  317    HA   HIS 858           HA       HIS  48   3.896   2.729  15.657
  318    HB2  HIS 858           HB2      HIS  48   2.427   4.326  14.420
  319    HB3  HIS 858           HB3      HIS  48   3.649   4.412  13.147
  320    HD2  HIS 858           HD2      HIS  48   2.882   2.995  11.108
  321    HE1  HIS 858           HE1      HIS  48   0.957  -0.230  13.118
  322    HE2  HIS 858           HE2      HIS  48   1.580   0.725  10.843
  323    H    GLU 859           H        GLU  49   4.500   0.913  14.413
  324    HA   GLU 859           HA       GLU  49   6.910   1.052  12.750
  325    HB2  GLU 859           HB2      GLU  49   6.716  -0.884  15.120
  326    HB3  GLU 859           HB3      GLU  49   8.104  -0.588  14.138
  327    HG2  GLU 859           HG2      GLU  49   8.283   1.729  15.123
  328    HG3  GLU 859           HG3      GLU  49   6.892   1.333  16.127
  329    H    THR 860           H        THR  50   7.337  -0.861  11.521
  330    HA   THR 860           HA       THR  50   5.103  -2.869  11.444
  331    HB   THR 860           HB       THR  50   4.980  -2.815   9.076
  332    HG1  THR 860           HG1      THR  50   6.254  -1.394   7.858
  333   HG21  THR 860          HG21      THR  50   4.964   0.082  10.016
  334   HG22  THR 860          HG22      THR  50   3.633  -1.069  10.198
  335   HG23  THR 860          HG23      THR  50   4.166  -0.584   8.572
  336    H    ASP 861           H        ASP  51   6.353  -4.180   9.167
  337    HA   ASP 861           HA       ASP  51   8.350  -5.846  10.462
  338    HB2  ASP 861           HB2      ASP  51   7.281  -5.758   7.675
  339    HB3  ASP 861           HB3      ASP  51   8.391  -6.972   8.266
  340    H    ILE 862           H        ILE  52   8.303  -3.003   8.486
  341    HA   ILE 862           HA       ILE  52  11.233  -3.123   8.145
  342    HB   ILE 862           HB       ILE  52   9.111  -1.972   6.359
  343   HG12  ILE 862          HG12      ILE  52  11.366  -4.036   6.132
  344   HG13  ILE 862          HG13      ILE  52   9.647  -4.391   6.208
  345   HG21  ILE 862          HG21      ILE  52  10.732  -0.214   6.520
  346   HG22  ILE 862          HG22      ILE  52  11.197  -1.130   5.083
  347   HG23  ILE 862          HG23      ILE  52  12.082  -1.367   6.613
  348   HD11  ILE 862          HD11      ILE  52  10.343  -4.619   3.962
  349   HD12  ILE 862          HD12      ILE  52  11.058  -2.996   3.943
  350   HD13  ILE 862          HD13      ILE  52   9.285  -3.198   4.100
  351    H    HIS 863           H        HIS  53   8.418  -1.043   8.885
  352    HA   HIS 863           HA       HIS  53  10.075   1.270   9.469
  353    HB2  HIS 863           HB2      HIS  53   7.831   1.722   8.843
  354    HB3  HIS 863           HB3      HIS  53   7.141   0.620   9.942
  355    HD1  HIS 863           HD1      HIS  53   9.767   3.020  11.656
  356    HD2  HIS 863           HD2      HIS  53   5.823   2.797  10.496
  357    HE1  HIS 863           HE1      HIS  53   8.948   5.364  11.628
  358    H    LYS 864           H        LYS  54  11.176   1.583  11.254
  359    HA   LYS 864           HA       LYS  54   9.939   0.601  13.768
  360    HB2  LYS 864           HB2      LYS  54  12.913   0.626  13.044
  361    HB3  LYS 864           HB3      LYS  54  12.209   0.155  14.571
  362    HG2  LYS 864           HG2      LYS  54  11.685  -1.288  11.865
  363    HG3  LYS 864           HG3      LYS  54  12.892  -1.767  13.000
  364    HD2  LYS 864           HD2      LYS  54  11.160  -2.289  14.716
  365    HD3  LYS 864           HD3      LYS  54   9.929  -1.769  13.640
  366    HE2  LYS 864           HE2      LYS  54   9.896  -4.037  13.313
  367    HE3  LYS 864           HE3      LYS  54  10.779  -3.456  11.912
  368    HZ1  LYS 864           HZ1      LYS  54  12.870  -4.103  13.071
  369    HZ2  LYS 864           HZ2      LYS  54  11.880  -5.390  12.937
  370    HZ3  LYS 864           HZ3      LYS  54  12.024  -4.631  14.368
  371    H    GLU 865           H        GLU  55  10.781   1.654  15.716
  372    HA   GLU 865           HA       GLU  55  10.580   4.496  15.666
  373    HB2  GLU 865           HB2      GLU  55  10.943   4.305  18.055
  374    HB3  GLU 865           HB3      GLU  55   9.864   3.036  17.489
  375    HG2  GLU 865           HG2      GLU  55  11.947   1.496  17.495
  376    HG3  GLU 865           HG3      GLU  55  12.823   2.816  18.244
  377    H    ASP 866           H        ASP  56  13.150   2.798  14.580
  378    HA   ASP 866           HA       ASP  56  15.417   4.065  15.757
  379    HB2  ASP 866           HB2      ASP  56  15.315   1.900  14.458
  380    HB3  ASP 866           HB3      ASP  56  15.164   2.896  13.019
  381    H    HIS 867           H        HIS  57  13.053   5.060  13.307
  382    HA   HIS 867           HA       HIS  57  14.861   7.198  12.418
  383    HB2  HIS 867           HB2      HIS  57  14.167   7.048  10.423
  384    HB3  HIS 867           HB3      HIS  57  14.075   5.353  10.846
  385    HD1  HIS 867           HD1      HIS  57  12.156   8.345   9.651
  386    HD2  HIS 867           HD2      HIS  57  11.502   4.368  10.804
  387    HE1  HIS 867           HE1      HIS  57   9.872   7.782   8.797
  388    H    GLN 868           H        GLN  58  13.415   8.699  11.068
  389    HA   GLN 868           HA       GLN  58  11.647  10.269  12.808
  390    HB2  GLN 868           HB2      GLN  58  12.904  12.302  12.485
  391    HB3  GLN 868           HB3      GLN  58  13.930  11.089  13.223
  392    HG2  GLN 868           HG2      GLN  58  13.973  11.816  10.255
  393    HG3  GLN 868           HG3      GLN  58  15.060  12.472  11.459
  394   HE21  GLN 868          HE21      GLN  58  16.696  11.027  12.423
  395   HE22  GLN 868          HE22      GLN  58  17.042   9.499  11.626
  396    H    LEU 869           H        LEU  59  10.333  11.775  11.751
  397    HA   LEU 869           HA       LEU  59   9.696  11.107   8.915
  398    HB2  LEU 869           HB2      LEU  59   8.040  12.725  10.889
  399    HB3  LEU 869           HB3      LEU  59   7.534  12.024   9.346
  400    HG   LEU 869           HG       LEU  59   6.459  10.878  11.015
  401   HD11  LEU 869          HD11      LEU  59   7.328   9.526   9.179
  402   HD12  LEU 869          HD12      LEU  59   7.074   8.593  10.654
  403   HD13  LEU 869          HD13      LEU  59   8.724   9.067  10.207
  404   HD21  LEU 869          HD21      LEU  59   8.993  10.045  12.455
  405   HD22  LEU 869          HD22      LEU  59   7.314   9.750  12.907
  406   HD23  LEU 869          HD23      LEU  59   7.944  11.401  12.969
  407    H    GLU 870           H        GLU  60   9.149  12.646   7.364
  408    HA   GLU 870           HA       GLU  60  10.249  15.391   7.780
  409    HB2  GLU 870           HB2      GLU  60  11.219  13.878   5.995
  410    HB3  GLU 870           HB3      GLU  60   9.678  13.899   5.206
  411    HG2  GLU 870           HG2      GLU  60  11.267  15.406   4.191
  412    HG3  GLU 870           HG3      GLU  60   9.833  16.267   4.765
  413    HA   PRO 871           HA       PRO  61   5.860  16.600   7.333
  414    HB2  PRO 871           HB2      PRO  61   6.064  19.246   7.933
  415    HB3  PRO 871           HB3      PRO  61   6.143  17.976   9.176
  416    HG2  PRO 871           HG2      PRO  61   8.430  19.463   7.876
  417    HG3  PRO 871           HG3      PRO  61   8.209  19.051   9.603
  418    HD2  PRO 871           HD2      PRO  61   9.771  17.594   7.829
  419    HD3  PRO 871           HD3      PRO  61   9.003  16.874   9.264
  420    H    ILE 872           H        ILE  62   4.704  17.434   5.549
  421    HA   ILE 872           HA       ILE  62   6.266  18.889   3.469
  422    HB   ILE 872           HB       ILE  62   4.181  16.849   2.822
  423   HG12  ILE 872          HG12      ILE  62   5.911  15.566   4.095
  424   HG13  ILE 872          HG13      ILE  62   5.718  15.056   2.450
  425   HG21  ILE 872          HG21      ILE  62   6.497  17.997   1.213
  426   HG22  ILE 872          HG22      ILE  62   4.823  18.520   1.126
  427   HG23  ILE 872          HG23      ILE  62   5.250  16.878   0.613
  428   HD11  ILE 872          HD11      ILE  62   7.754  16.084   1.752
  429   HD12  ILE 872          HD12      ILE  62   8.092  15.199   3.251
  430   HD13  ILE 872          HD13      ILE  62   7.910  16.967   3.280
  431    H    TYR 873           H        TYR  63   5.435  20.744   3.250
  432    HA   TYR 873           HA       TYR  63   2.714  21.337   4.154
  433    HB2  TYR 873           HB2      TYR  63   5.062  23.171   3.587
  434    HB3  TYR 873           HB3      TYR  63   3.514  23.656   4.256
  435    HD1  TYR 873           HD1      TYR  63   6.786  22.254   5.035
  436    HD2  TYR 873           HD2      TYR  63   2.760  22.783   6.503
  437    HE1  TYR 873           HE1      TYR  63   7.573  21.812   7.353
  438    HE2  TYR 873           HE2      TYR  63   3.549  22.353   8.818
  439    HH   TYR 873           HH       TYR  63   5.372  21.959  10.180
  440    H    ARG 874           H        ARG  64   3.637  20.270   1.399
  441    HA   ARG 874           HA       ARG  64   1.859  21.890  -0.297
  442    HB2  ARG 874           HB2      ARG  64   4.783  21.347  -0.952
  443    HB3  ARG 874           HB3      ARG  64   3.620  21.968  -2.110
  444    HG2  ARG 874           HG2      ARG  64   4.540  23.370   0.435
  445    HG3  ARG 874           HG3      ARG  64   5.122  23.674  -1.179
  446    HD2  ARG 874           HD2      ARG  64   2.227  24.075  -0.375
  447    HD3  ARG 874           HD3      ARG  64   3.451  25.354  -0.395
  448    HE   ARG 874           HE       ARG  64   3.529  24.192  -2.943
  449   HH11  ARG 874          HH11      ARG  64   1.165  26.012  -1.101
  450   HH12  ARG 874          HH12      ARG  64   0.390  26.622  -2.534
  451   HH21  ARG 874          HH21      ARG  64   2.478  24.987  -4.719
  452   HH22  ARG 874          HH22      ARG  64   1.128  26.065  -4.529
  453    H1   ALA   1           H1       ALA  65   2.084   6.197   3.026
  454    H2   ALA   1           H2       ALA  65   1.625   5.153   4.220
  455    H3   ALA   1           H3       ALA  65   0.490   6.015   3.400
  456    HA   ALA   1           HA       ALA  65   2.232   3.964   2.265
  457    HB1  ALA   1           HB1      ALA  65   0.559   2.950   3.700
  458    HB2  ALA   1           HB2      ALA  65   0.217   2.606   1.998
  459    HB3  ALA   1           HB3      ALA  65  -0.736   3.839   2.862
  460    H    ARG   2           H        ARG  66   2.648   4.286   0.215
  461    HA   ARG   2           HA       ARG  66   1.409   6.223  -1.439
  462    HB2  ARG   2           HB2      ARG  66   2.682   5.397  -3.247
  463    HB3  ARG   2           HB3      ARG  66   3.669   5.315  -1.814
  464    HG2  ARG   2           HG2      ARG  66   2.400   3.019  -3.360
  465    HG3  ARG   2           HG3      ARG  66   4.105   3.394  -3.178
  466    HD2  ARG   2           HD2      ARG  66   3.907   2.897  -0.722
  467    HD3  ARG   2           HD3      ARG  66   2.262   2.312  -0.990
  468    HE   ARG   2           HE       ARG  66   4.785   0.979  -1.625
  469   HH11  ARG   2          HH11      ARG  66   1.368   0.941  -2.512
  470   HH12  ARG   2          HH12      ARG  66   1.463  -0.728  -3.008
  471   HH21  ARG   2          HH21      ARG  66   4.816  -1.038  -2.192
  472   HH22  ARG   2          HH22      ARG  66   3.403  -1.849  -2.847
  473    H    THR   3           H        THR  67  -0.357   6.351  -2.472
  474    HA   THR   3           HA       THR  67  -1.665   4.031  -3.806
  475    HB   THR   3           HB       THR  67  -3.870   5.035  -3.299
  476    HG1  THR   3           HG1      THR  67  -4.040   6.694  -1.849
  477   HG21  THR   3          HG21      THR  67  -2.954   3.250  -1.791
  478   HG22  THR   3          HG22      THR  67  -4.087   4.354  -0.995
  479   HG23  THR   3          HG23      THR  67  -2.343   4.532  -0.714
  480   HH31  ALY   4           H26      ALY  68   2.570  10.943 -10.474
  481   HH32  ALY   4           H27      ALY  68   2.675  12.717 -10.566
  482   HH33  ALY   4           H28      ALY  68   1.214  11.886 -11.139
  483    HZ   ALY   4           HZ1      ALY  68   3.254  11.875  -8.232
  484    HE3  ALY   4           HE3      ALY  68   2.645  12.666  -6.066
  485    HE2  ALY   4           HE2      ALY  68   0.934  12.472  -6.453
  486    HD3  ALY   4           HD3      ALY  68   2.928  10.184  -6.093
  487    HD2  ALY   4           HD2      ALY  68   1.795  10.761  -4.870
  488    HG3  ALY   4           HG3      ALY  68  -0.109  10.200  -6.395
  489    HG2  ALY   4           HG2      ALY  68   1.046   9.489  -7.534
  490    HB3  ALY   4           HB3      ALY  68   1.781   7.879  -5.776
  491    HB2  ALY   4           HB2      ALY  68   0.685   8.636  -4.623
  492    HA   ALY   4           HA       ALY  68  -1.224   8.065  -6.232
  493    H    ALY   4           H        ALY  68   0.294   6.114  -4.641
  494    H    GLN   5           H        GLN  69  -2.049   6.395  -7.686
  495    HA   GLN   5           HA       GLN  69  -0.386   6.249 -10.109
  496    HB2  GLN   5           HB2      GLN  69  -0.514   3.946 -10.473
  497    HB3  GLN   5           HB3      GLN  69   0.072   4.112  -8.831
  498    HG2  GLN   5           HG2      GLN  69  -2.776   3.391  -9.670
  499    HG3  GLN   5           HG3      GLN  69  -1.558   2.273  -9.105
  500   HE21  GLN   5          HE21      GLN  69  -4.319   3.594  -8.087
  501   HE22  GLN   5          HE22      GLN  69  -3.957   3.775  -6.371
  502    H    THR   6           H        THR  70  -1.629   5.631 -12.061
  503    HA   THR   6           HA       THR  70  -4.152   7.057 -12.142
  504    HB   THR   6           HB       THR  70  -4.165   6.366 -14.532
  505    HG1  THR   6           HG1      THR  70  -2.402   5.200 -15.313
  506   HG21  THR   6          HG21      THR  70  -1.452   7.432 -13.620
  507   HG22  THR   6          HG22      THR  70  -2.928   8.407 -13.822
  508   HG23  THR   6          HG23      THR  70  -2.188   7.618 -15.224
  509    H    ALA   7           H        ALA  71  -3.321   3.605 -12.061
  510    HA   ALA   7           HA       ALA  71  -5.930   2.600 -12.664
  511    HB1  ALA   7           HB1      ALA  71  -5.037   0.476 -11.767
  512    HB2  ALA   7           HB2      ALA  71  -3.640   1.338 -11.089
  513    HB3  ALA   7           HB3      ALA  71  -3.872   1.260 -12.853
  514    H    ARG   8           H        ARG  72  -7.578   1.820 -11.356
  515    HA   ARG   8           HA       ARG  72  -8.035   3.121  -8.774
  516    HB2  ARG   8           HB2      ARG  72  -9.666   1.081 -10.342
  517    HB3  ARG   8           HB3      ARG  72 -10.167   1.834  -8.822
  518    HG2  ARG   8           HG2      ARG  72 -10.002   4.088  -9.893
  519    HG3  ARG   8           HG3      ARG  72  -9.620   3.317 -11.438
  520    HD2  ARG   8           HD2      ARG  72 -12.189   2.926  -9.840
  521    HD3  ARG   8           HD3      ARG  72 -12.003   3.966 -11.241
  522    HE   ARG   8           HE       ARG  72 -11.620   2.050 -12.657
  523   HH11  ARG   8          HH11      ARG  72 -12.928   1.173  -9.523
  524   HH12  ARG   8          HH12      ARG  72 -13.516  -0.362 -10.105
  525   HH21  ARG   8          HH21      ARG  72 -12.393   0.096 -13.324
  526   HH22  ARG   8          HH22      ARG  72 -13.218  -0.947 -12.199
  Start of MODEL    8
    1    H1   GLY 811           H1       GLY   1  -2.706  25.666  -5.088
    2    H2   GLY 811           H2       GLY   1  -1.204  26.059  -4.572
    3    H3   GLY 811           H3       GLY   1  -2.486  27.007  -4.179
    4    HA2  GLY 811           HA2      GLY   1  -3.464  25.225  -2.840
    5    HA3  GLY 811           HA3      GLY   1  -2.077  24.219  -3.272
    6    HA   PRO 812           HA       PRO   2  -0.939  27.748  -0.056
    7    HB2  PRO 812           HB2      PRO   2  -3.015  26.801   1.921
    8    HB3  PRO 812           HB3      PRO   2  -2.361  28.454   1.665
    9    HG2  PRO 812           HG2      PRO   2  -4.786  27.801   0.686
   10    HG3  PRO 812           HG3      PRO   2  -3.635  28.720  -0.345
   11    HD2  PRO 812           HD2      PRO   2  -4.198  25.741  -0.365
   12    HD3  PRO 812           HD3      PRO   2  -4.112  26.888  -1.735
   13    H    LEU 813           H        LEU   3   0.617  27.414   1.525
   14    HA   LEU 813           HA       LEU   3   1.748  24.872   1.911
   15    HB2  LEU 813           HB2      LEU   3   2.920  26.986   1.987
   16    HB3  LEU 813           HB3      LEU   3   2.082  27.485   3.447
   17    HG   LEU 813           HG       LEU   3   3.609  24.906   3.610
   18   HD11  LEU 813          HD11      LEU   3   5.737  26.081   3.987
   19   HD12  LEU 813          HD12      LEU   3   4.976  27.622   3.521
   20   HD13  LEU 813          HD13      LEU   3   5.157  26.309   2.331
   21   HD21  LEU 813          HD21      LEU   3   3.452  27.335   5.458
   22   HD22  LEU 813          HD22      LEU   3   4.209  25.772   5.838
   23   HD23  LEU 813          HD23      LEU   3   2.458  25.876   5.617
   24    H    GLY 814           H        GLY   4  -0.667  26.471   3.921
   25    HA2  GLY 814           HA2      GLY   4  -0.574  24.427   6.045
   26    HA3  GLY 814           HA3      GLY   4  -1.664  25.804   5.933
   27    H    SER 815           H        SER   5  -1.756  24.123   2.972
   28    HA   SER 815           HA       SER   5  -3.962  22.346   3.680
   29    HB2  SER 815           HB2      SER   5  -4.818  24.745   3.541
   30    HB3  SER 815           HB3      SER   5  -4.467  24.669   1.806
   31    HG   SER 815           HG       SER   5  -6.659  24.081   2.328
   32    H    VAL 816           H        VAL   6  -1.325  21.949   2.469
   33    HA   VAL 816           HA       VAL   6  -1.365  21.569  -0.332
   34    HB   VAL 816           HB       VAL   6   0.156  20.242   1.946
   35   HG11  VAL 816          HG11      VAL   6   1.017  20.451  -0.916
   36   HG12  VAL 816          HG12      VAL   6   0.421  18.991  -0.084
   37   HG13  VAL 816          HG13      VAL   6   1.909  19.746   0.476
   38   HG21  VAL 816          HG21      VAL   6   1.910  21.859   1.588
   39   HG22  VAL 816          HG22      VAL   6   0.433  22.724   1.929
   40   HG23  VAL 816          HG23      VAL   6   1.013  22.629   0.253
   41    H    GLN 817           H        GLN   7  -2.170  19.979  -1.596
   42    HA   GLN 817           HA       GLN   7  -3.437  17.644  -0.323
   43    HB2  GLN 817           HB2      GLN   7  -4.166  17.152  -2.540
   44    HB3  GLN 817           HB3      GLN   7  -4.493  18.839  -2.177
   45    HG2  GLN 817           HG2      GLN   7  -3.524  19.370  -4.113
   46    HG3  GLN 817           HG3      GLN   7  -1.982  18.996  -3.402
   47   HE21  GLN 817          HE21      GLN   7  -3.822  18.319  -6.119
   48   HE22  GLN 817          HE22      GLN   7  -3.128  16.751  -6.502
   49    H    HIS 818           H        HIS   8  -2.565  15.637  -0.153
   50    HA   HIS 818           HA       HIS   8  -0.157  14.944  -1.778
   51    HB2  HIS 818           HB2      HIS   8  -0.841  13.445   0.733
   52    HB3  HIS 818           HB3      HIS   8   0.721  13.715  -0.030
   53    HD2  HIS 818           HD2      HIS   8   1.398  16.562   0.024
   54    HE1  HIS 818           HE1      HIS   8  -0.734  17.200   3.638
   55    HE2  HIS 818           HE2      HIS   8   0.955  18.222   2.000
   56    H    VAL 819           H        VAL   9  -2.154  14.724  -3.367
   57    HA   VAL 819           HA       VAL   9  -3.665  12.300  -3.376
   58    HB   VAL 819           HB       VAL   9  -2.732  14.072  -5.588
   59   HG11  VAL 819          HG11      VAL   9  -3.027  11.864  -6.601
   60   HG12  VAL 819          HG12      VAL   9  -4.360  12.936  -7.035
   61   HG13  VAL 819          HG13      VAL   9  -4.608  11.688  -5.795
   62   HG21  VAL 819          HG21      VAL   9  -5.140  14.691  -5.616
   63   HG22  VAL 819          HG22      VAL   9  -4.470  14.956  -4.001
   64   HG23  VAL 819          HG23      VAL   9  -5.465  13.521  -4.314
   65    H    GLY 820           H        GLY  10  -3.145  10.282  -3.562
   66    HA2  GLY 820           HA2      GLY  10  -1.847   8.426  -4.248
   67    HA3  GLY 820           HA3      GLY  10  -0.451   9.476  -4.497
   68    H    PHE 821           H        PHE  11  -1.637  10.421  -1.510
   69    HA   PHE 821           HA       PHE  11  -0.229   8.253   0.007
   70    HB2  PHE 821           HB2      PHE  11   0.088  11.216   0.502
   71    HB3  PHE 821           HB3      PHE  11   0.972   9.882   1.240
   72    HD1  PHE 821           HD1      PHE  11   0.734  12.174  -1.551
   73    HD2  PHE 821           HD2      PHE  11   2.750   8.715  -0.017
   74    HE1  PHE 821           HE1      PHE  11   2.591  12.590  -3.146
   75    HE2  PHE 821           HE2      PHE  11   4.581   9.050  -1.694
   76    HZ   PHE 821           HZ       PHE  11   4.532  11.068  -3.171
   77    H    LYS 822           H        LYS  12  -2.151   7.390   0.650
   78    HA   LYS 822           HA       LYS  12  -4.076   8.865   2.382
   79    HB2  LYS 822           HB2      LYS  12  -5.087   7.328   0.976
   80    HB3  LYS 822           HB3      LYS  12  -3.835   6.179   1.094
   81    HG2  LYS 822           HG2      LYS  12  -5.186   6.412   3.743
   82    HG3  LYS 822           HG3      LYS  12  -6.339   6.242   2.464
   83    HD2  LYS 822           HD2      LYS  12  -4.961   4.216   1.639
   84    HD3  LYS 822           HD3      LYS  12  -4.096   4.364   3.184
   85    HE2  LYS 822           HE2      LYS  12  -5.819   2.716   3.433
   86    HE3  LYS 822           HE3      LYS  12  -6.236   4.131   4.406
   87    HZ1  LYS 822           HZ1      LYS  12  -7.425   3.434   1.756
   88    HZ2  LYS 822           HZ2      LYS  12  -7.802   4.803   2.572
   89    HZ3  LYS 822           HZ3      LYS  12  -8.181   3.344   3.193
   90    H    CYS 823           H        CYS  13  -4.072   8.638   4.626
   91    HA   CYS 823           HA       CYS  13  -1.579   8.101   5.947
   92    HB2  CYS 823           HB2      CYS  13  -2.891   9.892   6.703
   93    HB3  CYS 823           HB3      CYS  13  -4.362   8.937   6.676
   94    H    ASP 824           H        ASP  14  -1.262   6.730   7.710
   95    HA   ASP 824           HA       ASP  14  -2.500   4.012   7.570
   96    HB2  ASP 824           HB2      ASP  14   0.181   5.001   8.595
   97    HB3  ASP 824           HB3      ASP  14  -0.437   3.378   8.856
   98    H    ASN 825           H        ASN  15  -1.854   6.704   9.836
   99    HA   ASN 825           HA       ASN  15  -2.605   5.238  12.236
  100    HB2  ASN 825           HB2      ASN  15  -1.348   7.342  12.379
  101    HB3  ASN 825           HB3      ASN  15  -2.703   8.216  11.623
  102   HD21  ASN 825          HD21      ASN  15  -4.473   8.783  12.916
  103   HD22  ASN 825          HD22      ASN  15  -4.389   8.607  14.669
  104    H    CYS 826           H        CYS  16  -4.447   7.606  10.240
  105    HA   CYS 826           HA       CYS  16  -6.951   6.863  11.518
  106    HB2  CYS 826           HB2      CYS  16  -6.541   8.880   9.304
  107    HB3  CYS 826           HB3      CYS  16  -7.785   8.863  10.537
  108    H    GLY 827           H        GLY  17  -5.351   6.438   8.428
  109    HA2  GLY 827           HA2      GLY  17  -5.829   5.020   6.749
  110    HA3  GLY 827           HA3      GLY  17  -7.401   4.626   7.402
  111    H    ILE 828           H        ILE  18  -6.899   8.022   7.419
  112    HA   ILE 828           HA       ILE  18  -8.933   8.544   5.553
  113    HB   ILE 828           HB       ILE  18  -8.479  10.089   7.297
  114   HG12  ILE 828          HG12      ILE  18  -7.609  11.451   4.700
  115   HG13  ILE 828          HG13      ILE  18  -9.245  10.979   4.982
  116   HG21  ILE 828          HG21      ILE  18  -5.752  10.691   6.077
  117   HG22  ILE 828          HG22      ILE  18  -6.012   9.754   7.551
  118   HG23  ILE 828          HG23      ILE  18  -6.494  11.430   7.511
  119   HD11  ILE 828          HD11      ILE  18  -9.062  13.315   5.461
  120   HD12  ILE 828          HD12      ILE  18  -7.705  13.068   6.562
  121   HD13  ILE 828          HD13      ILE  18  -9.328  12.476   7.005
  122    H    GLU 829           H        GLU  19  -8.902   9.155   3.509
  123    HA   GLU 829           HA       GLU  19  -6.935   8.098   1.718
  124    HB2  GLU 829           HB2      GLU  19  -8.879  10.059   0.748
  125    HB3  GLU 829           HB3      GLU  19  -8.418   8.515   0.068
  126    HG2  GLU 829           HG2      GLU  19 -10.430   8.925   2.268
  127    HG3  GLU 829           HG3      GLU  19 -10.715   8.364   0.622
  128    HA   PRO 830           HA       PRO  20  -3.983  10.875   0.348
  129    HB2  PRO 830           HB2      PRO  20  -6.009  12.521  -1.187
  130    HB3  PRO 830           HB3      PRO  20  -4.248  12.309  -1.472
  131    HG2  PRO 830           HG2      PRO  20  -6.023  10.729  -2.749
  132    HG3  PRO 830           HG3      PRO  20  -4.512  10.047  -2.072
  133    HD2  PRO 830           HD2      PRO  20  -7.315   9.946  -1.027
  134    HD3  PRO 830           HD3      PRO  20  -6.004   8.750  -0.790
  135    H    ILE 831           H        ILE  21  -3.139  11.853   1.984
  136    HA   ILE 831           HA       ILE  21  -4.450  13.383   3.911
  137    HB   ILE 831           HB       ILE  21  -1.505  13.132   3.214
  138   HG12  ILE 831          HG12      ILE  21  -2.861  11.826   5.588
  139   HG13  ILE 831          HG13      ILE  21  -2.987  11.069   4.023
  140   HG21  ILE 831          HG21      ILE  21  -1.736  15.146   4.654
  141   HG22  ILE 831          HG22      ILE  21  -0.982  13.845   5.535
  142   HG23  ILE 831          HG23      ILE  21  -2.703  14.206   5.805
  143   HD11  ILE 831          HD11      ILE  21  -0.554  10.967   3.784
  144   HD12  ILE 831          HD12      ILE  21  -1.100  10.141   5.250
  145   HD13  ILE 831          HD13      ILE  21  -0.351  11.730   5.369
  146    H    GLN 832           H        GLN  22  -4.342  15.525   4.588
  147    HA   GLN 832           HA       GLN  22  -3.627  17.492   2.455
  148    HB2  GLN 832           HB2      GLN  22  -6.014  17.630   4.342
  149    HB3  GLN 832           HB3      GLN  22  -5.627  18.771   3.061
  150    HG2  GLN 832           HG2      GLN  22  -6.369  15.836   2.603
  151    HG3  GLN 832           HG3      GLN  22  -7.489  17.161   2.560
  152   HE21  GLN 832          HE21      GLN  22  -6.051  15.162   0.492
  153   HE22  GLN 832          HE22      GLN  22  -5.947  16.252  -0.892
  154    H    GLY 833           H        GLY  23  -2.524  19.229   3.018
  155    HA2  GLY 833           HA2      GLY  23  -2.250  21.152   4.621
  156    HA3  GLY 833           HA3      GLY  23  -2.112  19.981   5.885
  157    H    VAL 834           H        VAL  24  -0.390  18.341   5.611
  158    HA   VAL 834           HA       VAL  24   2.038  19.061   4.200
  159    HB   VAL 834           HB       VAL  24   2.005  20.281   6.361
  160   HG11  VAL 834          HG11      VAL  24   2.159  19.204   8.475
  161   HG12  VAL 834          HG12      VAL  24   2.137  17.600   7.705
  162   HG13  VAL 834          HG13      VAL  24   0.694  18.652   7.634
  163   HG21  VAL 834          HG21      VAL  24   4.225  19.551   7.222
  164   HG22  VAL 834          HG22      VAL  24   4.210  19.686   5.468
  165   HG23  VAL 834          HG23      VAL  24   4.114  18.081   6.244
  166    H    ARG 835           H        ARG  25   3.122  17.098   3.607
  167    HA   ARG 835           HA       ARG  25   1.695  14.592   4.295
  168    HB2  ARG 835           HB2      ARG  25   2.804  15.122   1.973
  169    HB3  ARG 835           HB3      ARG  25   4.312  14.765   2.811
  170    HG2  ARG 835           HG2      ARG  25   3.437  12.499   3.382
  171    HG3  ARG 835           HG3      ARG  25   2.015  12.828   2.388
  172    HD2  ARG 835           HD2      ARG  25   3.285  12.775   0.390
  173    HD3  ARG 835           HD3      ARG  25   4.787  13.182   1.226
  174    HE   ARG 835           HE       ARG  25   3.609  10.603   2.020
  175   HH11  ARG 835          HH11      ARG  25   6.028  11.958  -0.178
  176   HH12  ARG 835          HH12      ARG  25   6.948  10.484  -0.107
  177   HH21  ARG 835          HH21      ARG  25   4.699   8.940   2.019
  178   HH22  ARG 835          HH22      ARG  25   6.292   8.826   1.288
  179    H    TRP 836           H        TRP  26   2.894  12.770   5.347
  180    HA   TRP 836           HA       TRP  26   5.403  13.571   6.745
  181    HB2  TRP 836           HB2      TRP  26   3.066  12.333   8.196
  182    HB3  TRP 836           HB3      TRP  26   4.694  12.213   8.731
  183    HD1  TRP 836           HD1      TRP  26   1.979  14.780   8.518
  184    HE1  TRP 836           HE1      TRP  26   2.677  16.835   9.963
  185    HE3  TRP 836           HE3      TRP  26   6.887  13.684   9.146
  186    HZ2  TRP 836           HZ2      TRP  26   4.964  17.613  11.511
  187    HZ3  TRP 836           HZ3      TRP  26   8.297  14.976  10.718
  188    HH2  TRP 836           HH2      TRP  26   7.346  16.905  11.947
  189    H    HIS 837           H        HIS  27   6.640  12.475   5.459
  190    HA   HIS 837           HA       HIS  27   6.078   9.658   4.613
  191    HB2  HIS 837           HB2      HIS  27   6.862  11.245   2.911
  192    HB3  HIS 837           HB3      HIS  27   8.177  11.766   3.928
  193    HD2  HIS 837           HD2      HIS  27  10.459  10.682   3.535
  194    HE1  HIS 837           HE1      HIS  27   9.267   7.175   1.423
  195    HE2  HIS 837           HE2      HIS  27  11.260   8.537   2.225
  196    H    CYS 838           H        CYS  28   6.959   7.914   5.929
  197    HA   CYS 838           HA       CYS  28   8.904   8.606   7.960
  198    HB2  CYS 838           HB2      CYS  28   7.252   6.870   8.160
  199    HB3  CYS 838           HB3      CYS  28   8.147   5.939   6.930
  200    H    GLN 839           H        GLN  29  10.982   8.593   8.015
  201    HA   GLN 839           HA       GLN  29  12.470   8.860   5.563
  202    HB2  GLN 839           HB2      GLN  29  13.419   8.682   8.450
  203    HB3  GLN 839           HB3      GLN  29  14.440   9.128   7.103
  204    HG2  GLN 839           HG2      GLN  29  11.958  10.760   7.778
  205    HG3  GLN 839           HG3      GLN  29  13.489  10.983   8.605
  206   HE21  GLN 839          HE21      GLN  29  13.919  13.105   7.802
  207   HE22  GLN 839          HE22      GLN  29  14.043  13.431   6.072
  208    H    ASP 840           H        ASP  30  12.308   6.340   8.123
  209    HA   ASP 840           HA       ASP  30  14.396   4.764   6.718
  210    HB2  ASP 840           HB2      ASP  30  14.482   5.454   9.177
  211    HB3  ASP 840           HB3      ASP  30  13.062   4.531   9.374
  212    H    CYS 841           H        CYS  31  10.882   4.539   7.432
  213    HA   CYS 841           HA       CYS  31  10.601   1.749   6.980
  214    HB2  CYS 841           HB2      CYS  31   8.665   4.039   6.579
  215    HB3  CYS 841           HB3      CYS  31   8.271   2.408   6.150
  216    HA   PRO 842           HA       PRO  32  11.704   1.434   2.786
  217    HB2  PRO 842           HB2      PRO  32  10.666  -0.956   1.978
  218    HB3  PRO 842           HB3      PRO  32  11.887  -0.823   3.284
  219    HG2  PRO 842           HG2      PRO  32   8.870  -1.040   3.570
  220    HG3  PRO 842           HG3      PRO  32  10.136  -1.993   4.410
  221    HD2  PRO 842           HD2      PRO  32   8.958   0.228   5.531
  222    HD3  PRO 842           HD3      PRO  32  10.654  -0.216   5.839
  223    HA   PRO 843           HA       PRO  33   8.671   3.148  -0.051
  224    HB2  PRO 843           HB2      PRO  33  10.022   1.334  -2.073
  225    HB3  PRO 843           HB3      PRO  33   9.524   3.042  -2.252
  226    HG2  PRO 843           HG2      PRO  33  12.104   2.457  -1.728
  227    HG3  PRO 843           HG3      PRO  33  11.308   3.769  -0.794
  228    HD2  PRO 843           HD2      PRO  33  11.784   0.885   0.021
  229    HD3  PRO 843           HD3      PRO  33  12.054   2.395   0.951
  230    H    GLU 844           H        GLU  34   9.117  -0.363  -0.064
  231    HA   GLU 844           HA       GLU  34   6.788  -1.280  -1.365
  232    HB2  GLU 844           HB2      GLU  34   8.608  -2.715  -0.703
  233    HB3  GLU 844           HB3      GLU  34   8.277  -2.426   0.997
  234    HG2  GLU 844           HG2      GLU  34   7.483  -4.565   0.154
  235    HG3  GLU 844           HG3      GLU  34   6.233  -3.586   0.874
  236    H    MET 845           H        MET  35   7.222  -0.375   2.024
  237    HA   MET 845           HA       MET  35   4.346  -0.644   2.657
  238    HB2  MET 845           HB2      MET  35   6.700   0.337   4.292
  239    HB3  MET 845           HB3      MET  35   5.029   0.288   4.870
  240    HG2  MET 845           HG2      MET  35   6.522  -2.162   3.878
  241    HG3  MET 845           HG3      MET  35   6.464  -1.654   5.562
  242    HE1  MET 845           HE1      MET  35   4.436  -1.854   7.159
  243    HE2  MET 845           HE2      MET  35   2.804  -2.358   6.670
  244    HE3  MET 845           HE3      MET  35   3.424  -0.777   6.169
  245    H    SER 846           H        SER  36   6.696   2.030   2.406
  246    HA   SER 846           HA       SER  36   6.508   4.293   2.602
  247    HB2  SER 846           HB2      SER  36   6.181   3.822   0.229
  248    HB3  SER 846           HB3      SER  36   4.426   3.827   0.461
  249    HG   SER 846           HG       SER  36   5.398   5.888  -0.250
  250    H    LEU 847           H        LEU  37   5.760   4.159   4.781
  251    HA   LEU 847           HA       LEU  37   2.901   4.443   5.326
  252    HB2  LEU 847           HB2      LEU  37   5.369   4.293   7.041
  253    HB3  LEU 847           HB3      LEU  37   3.837   4.763   7.733
  254    HG   LEU 847           HG       LEU  37   3.432   2.342   6.134
  255   HD11  LEU 847          HD11      LEU  37   5.773   2.208   7.984
  256   HD12  LEU 847          HD12      LEU  37   5.741   1.889   6.267
  257   HD13  LEU 847          HD13      LEU  37   4.891   0.785   7.373
  258   HD21  LEU 847          HD21      LEU  37   2.167   3.153   8.243
  259   HD22  LEU 847          HD22      LEU  37   3.324   2.080   9.071
  260   HD23  LEU 847          HD23      LEU  37   2.315   1.458   7.796
  261    H    ASP 848           H        ASP  38   1.820   6.192   6.252
  262    HA   ASP 848           HA       ASP  38   3.101   8.836   5.986
  263    HB2  ASP 848           HB2      ASP  38   0.560   8.050   4.546
  264    HB3  ASP 848           HB3      ASP  38   1.224   9.673   4.684
  265    H    PHE 849           H        PHE  39   2.161  10.506   7.130
  266    HA   PHE 849           HA       PHE  39  -0.354   9.966   8.633
  267    HB2  PHE 849           HB2      PHE  39   2.058  11.200  10.051
  268    HB3  PHE 849           HB3      PHE  39   0.520  10.816  10.687
  269    HD1  PHE 849           HD1      PHE  39  -0.287   8.435  10.760
  270    HD2  PHE 849           HD2      PHE  39   3.791   9.522   9.935
  271    HE1  PHE 849           HE1      PHE  39   0.445   6.103  11.316
  272    HE2  PHE 849           HE2      PHE  39   4.523   7.239  10.495
  273    HZ   PHE 849           HZ       PHE  39   2.854   5.510  11.197
  274    H    CYS 850           H        CYS  40  -1.684  11.672   9.143
  275    HA   CYS 850           HA       CYS  40  -1.533  14.091   7.660
  276    HB2  CYS 850           HB2      CYS  40  -3.154  13.497  10.151
  277    HB3  CYS 850           HB3      CYS  40  -3.585  14.616   8.864
  278    H    ASP 851           H        ASP  41  -1.863  16.260   8.719
  279    HA   ASP 851           HA       ASP  41   0.352  17.165  10.210
  280    HB2  ASP 851           HB2      ASP  41  -0.748  19.231  10.296
  281    HB3  ASP 851           HB3      ASP  41  -1.179  18.528   8.750
  282    H    SER 852           H        SER  42  -2.737  15.907  11.372
  283    HA   SER 852           HA       SER  42  -2.265  16.703  14.139
  284    HB2  SER 852           HB2      SER  42  -4.523  16.808  13.147
  285    HB3  SER 852           HB3      SER  42  -4.483  15.061  12.876
  286    HG   SER 852           HG       SER  42  -4.553  16.473  15.355
  287    H    CYS 853           H        CYS  43  -2.369  13.596  12.308
  288    HA   CYS 853           HA       CYS  43  -2.011  12.077  14.727
  289    HB2  CYS 853           HB2      CYS  43  -2.670  10.264  13.456
  290    HB3  CYS 853           HB3      CYS  43  -3.627  11.638  12.878
  291    H    SER 854           H        SER  44   0.072  13.196  12.216
  292    HA   SER 854           HA       SER  44   2.320  11.464  12.453
  293    HB2  SER 854           HB2      SER  44   3.645  13.446  11.826
  294    HB3  SER 854           HB3      SER  44   2.193  13.319  10.836
  295    HG   SER 854           HG       SER  44   1.356  15.036  11.781
  296    H    ASP 855           H        ASP  45   0.848  13.395  14.879
  297    HA   ASP 855           HA       ASP  45   3.230  13.786  16.522
  298    HB2  ASP 855           HB2      ASP  45   1.220  15.343  16.458
  299    HB3  ASP 855           HB3      ASP  45   0.302  14.076  17.280
  300    H    CYS 856           H        CYS  46   1.300  11.099  15.786
  301    HA   CYS 856           HA       CYS  46   1.014  10.115  18.504
  302    HB2  CYS 856           HB2      CYS  46  -0.638   9.911  16.546
  303    HB3  CYS 856           HB3      CYS  46   0.391   8.622  15.921
  304    HG   CYS 856           HG       CYS  46   0.310   7.147  18.130
  305    H    LEU 857           H        LEU  47   3.443   9.731  16.184
  306    HA   LEU 857           HA       LEU  47   5.274   8.401  15.990
  307    HB2  LEU 857           HB2      LEU  47   5.630   9.663  18.095
  308    HB3  LEU 857           HB3      LEU  47   5.032   8.307  19.023
  309    HG   LEU 857           HG       LEU  47   6.872   6.927  18.563
  310   HD11  LEU 857          HD11      LEU  47   7.585   8.816  16.292
  311   HD12  LEU 857          HD12      LEU  47   7.150   7.080  16.200
  312   HD13  LEU 857          HD13      LEU  47   8.692   7.591  16.924
  313   HD21  LEU 857          HD21      LEU  47   8.811   8.252  19.225
  314   HD22  LEU 857          HD22      LEU  47   7.374   8.818  20.087
  315   HD23  LEU 857          HD23      LEU  47   7.999   9.749  18.713
  316    H    HIS 858           H        HIS  48   3.670   6.984  14.949
  317    HA   HIS 858           HA       HIS  48   2.708   4.688  16.437
  318    HB2  HIS 858           HB2      HIS  48   1.210   5.977  14.952
  319    HB3  HIS 858           HB3      HIS  48   2.256   5.624  13.578
  320    HD2  HIS 858           HD2      HIS  48   1.677   3.512  12.188
  321    HE1  HIS 858           HE1      HIS  48  -0.988   1.586  14.908
  322    HE2  HIS 858           HE2      HIS  48  -0.024   1.525  12.553
  323    H    GLU 859           H        GLU  49   2.744   2.521  15.718
  324    HA   GLU 859           HA       GLU  49   5.124   1.748  14.180
  325    HB2  GLU 859           HB2      GLU  49   4.663   0.470  16.882
  326    HB3  GLU 859           HB3      GLU  49   6.057   0.405  15.871
  327    HG2  GLU 859           HG2      GLU  49   6.430   2.893  16.323
  328    HG3  GLU 859           HG3      GLU  49   5.077   2.816  17.432
  329    H    THR 860           H        THR  50   5.040  -0.214  13.216
  330    HA   THR 860           HA       THR  50   2.648  -1.982  13.610
  331    HB   THR 860           HB       THR  50   2.420  -2.350  11.257
  332    HG1  THR 860           HG1      THR  50   3.696  -1.294   9.755
  333   HG21  THR 860          HG21      THR  50   1.114  -0.450  11.930
  334   HG22  THR 860          HG22      THR  50   1.848  -0.088  10.355
  335   HG23  THR 860          HG23      THR  50   2.510   0.636  11.840
  336    H    ASP 861           H        ASP  51   3.854  -3.684  11.385
  337    HA   ASP 861           HA       ASP  51   5.778  -5.211  12.940
  338    HB2  ASP 861           HB2      ASP  51   4.789  -5.463  10.130
  339    HB3  ASP 861           HB3      ASP  51   5.867  -6.603  10.911
  340    H    ILE 862           H        ILE  52   5.796  -2.722  10.451
  341    HA   ILE 862           HA       ILE  52   8.744  -2.904  10.261
  342    HB   ILE 862           HB       ILE  52   6.795  -2.073   8.126
  343   HG12  ILE 862          HG12      ILE  52   8.763  -4.396   8.531
  344   HG13  ILE 862          HG13      ILE  52   7.002  -4.531   8.581
  345   HG21  ILE 862          HG21      ILE  52   8.906  -1.825   6.774
  346   HG22  ILE 862          HG22      ILE  52   9.836  -1.991   8.285
  347   HG23  ILE 862          HG23      ILE  52   8.748  -0.610   8.034
  348   HD11  ILE 862          HD11      ILE  52   8.676  -3.922   6.164
  349   HD12  ILE 862          HD12      ILE  52   6.883  -3.850   6.233
  350   HD13  ILE 862          HD13      ILE  52   7.740  -5.383   6.520
  351    H    HIS 863           H        HIS  53   5.936  -0.782  10.580
  352    HA   HIS 863           HA       HIS  53   7.478   1.676  10.735
  353    HB2  HIS 863           HB2      HIS  53   5.247   1.546   9.872
  354    HB3  HIS 863           HB3      HIS  53   4.517   1.098  11.289
  355    HD1  HIS 863           HD1      HIS  53   3.933   3.783   9.562
  356    HD2  HIS 863           HD2      HIS  53   6.701   3.514  12.605
  357    HE1  HIS 863           HE1      HIS  53   5.805   5.345   8.923
  358    H    LYS 864           H        LYS  54   8.562   2.411  12.467
  359    HA   LYS 864           HA       LYS  54   7.832   1.465  15.177
  360    HB2  LYS 864           HB2      LYS  54  10.652   1.373  14.047
  361    HB3  LYS 864           HB3      LYS  54  10.167   1.086  15.706
  362    HG2  LYS 864           HG2      LYS  54   9.347  -0.640  13.294
  363    HG3  LYS 864           HG3      LYS  54  10.639  -0.999  14.408
  364    HD2  LYS 864           HD2      LYS  54   9.082  -1.389  16.237
  365    HD3  LYS 864           HD3      LYS  54   7.760  -0.796  15.309
  366    HE2  LYS 864           HE2      LYS  54   7.551  -3.105  15.168
  367    HE3  LYS 864           HE3      LYS  54   8.141  -2.600  13.595
  368    HZ1  LYS 864           HZ1      LYS  54   9.340  -4.563  14.425
  369    HZ2  LYS 864           HZ2      LYS  54   9.829  -3.774  15.767
  370    HZ3  LYS 864           HZ3      LYS  54  10.400  -3.329  14.294
  371    H    GLU 865           H        GLU  55   8.944   2.722  16.918
  372    HA   GLU 865           HA       GLU  55   9.243   5.532  16.264
  373    HB2  GLU 865           HB2      GLU  55   9.311   5.883  18.591
  374    HB3  GLU 865           HB3      GLU  55   8.063   4.692  18.248
  375    HG2  GLU 865           HG2      GLU  55   9.747   2.902  18.933
  376    HG3  GLU 865           HG3      GLU  55  10.860   4.185  19.379
  377    H    ASP 866           H        ASP  56  11.392   3.159  15.687
  378    HA   ASP 866           HA       ASP  56  13.759   3.986  17.057
  379    HB2  ASP 866           HB2      ASP  56  13.163   1.713  16.097
  380    HB3  ASP 866           HB3      ASP  56  13.534   2.411  14.528
  381    H    HIS 867           H        HIS  57  12.067   5.196  14.331
  382    HA   HIS 867           HA       HIS  57  14.351   6.686  13.216
  383    HB2  HIS 867           HB2      HIS  57  12.948   6.164  11.070
  384    HB3  HIS 867           HB3      HIS  57  14.029   4.982  11.709
  385    HD1  HIS 867           HD1      HIS  57  12.945   2.939  10.789
  386    HD2  HIS 867           HD2      HIS  57  10.313   5.753  12.397
  387    HE1  HIS 867           HE1      HIS  57  10.739   2.847   9.520
  388    H    GLN 868           H        GLN  58  13.077   8.081  11.391
  389    HA   GLN 868           HA       GLN  58  11.476  10.059  12.885
  390    HB2  GLN 868           HB2      GLN  58  13.776  10.674  12.939
  391    HB3  GLN 868           HB3      GLN  58  14.016  10.259  11.238
  392    HG2  GLN 868           HG2      GLN  58  12.700  12.103  10.493
  393    HG3  GLN 868           HG3      GLN  58  12.216  12.514  12.155
  394   HE21  GLN 868          HE21      GLN  58  14.182  13.044  13.663
  395   HE22  GLN 868          HE22      GLN  58  15.474  13.941  12.886
  396    H    LEU 869           H        LEU  59  10.151  11.449  11.633
  397    HA   LEU 869           HA       LEU  59   9.381  10.483   8.911
  398    HB2  LEU 869           HB2      LEU  59   7.834  12.262  10.838
  399    HB3  LEU 869           HB3      LEU  59   7.261  11.551   9.333
  400    HG   LEU 869           HG       LEU  59   6.206  10.581  11.189
  401   HD11  LEU 869          HD11      LEU  59   6.598   9.199   9.221
  402   HD12  LEU 869          HD12      LEU  59   6.522   8.223  10.702
  403   HD13  LEU 869          HD13      LEU  59   8.102   8.570   9.997
  404   HD21  LEU 869          HD21      LEU  59   7.081   9.272  12.916
  405   HD22  LEU 869          HD22      LEU  59   7.985  10.790  12.936
  406   HD23  LEU 869          HD23      LEU  59   8.716   9.309  12.257
  407    H    GLU 870           H        GLU  60   9.049  11.969   7.254
  408    HA   GLU 870           HA       GLU  60  10.489  14.568   7.510
  409    HB2  GLU 870           HB2      GLU  60  11.257  12.803   5.862
  410    HB3  GLU 870           HB3      GLU  60   9.724  12.967   5.055
  411    HG2  GLU 870           HG2      GLU  60  11.134  14.259   3.800
  412    HG3  GLU 870           HG3      GLU  60  10.298  15.466   4.774
  413    HA   PRO 871           HA       PRO  61   6.286  16.247   6.873
  414    HB2  PRO 871           HB2      PRO  61   6.770  18.868   7.453
  415    HB3  PRO 871           HB3      PRO  61   6.582  17.617   8.707
  416    HG2  PRO 871           HG2      PRO  61   9.143  18.787   7.600
  417    HG3  PRO 871           HG3      PRO  61   8.736  18.419   9.301
  418    HD2  PRO 871           HD2      PRO  61  10.230  16.768   7.640
  419    HD3  PRO 871           HD3      PRO  61   9.286  16.163   9.027
  420    H    ILE 872           H        ILE  62   5.429  17.043   4.912
  421    HA   ILE 872           HA       ILE  62   7.338  18.373   3.026
  422    HB   ILE 872           HB       ILE  62   5.129  16.614   2.089
  423   HG12  ILE 872          HG12      ILE  62   6.548  15.118   3.525
  424   HG13  ILE 872          HG13      ILE  62   6.439  14.670   1.844
  425   HG21  ILE 872          HG21      ILE  62   6.117  18.160   0.487
  426   HG22  ILE 872          HG22      ILE  62   6.521  16.498   0.044
  427   HG23  ILE 872          HG23      ILE  62   7.737  17.541   0.811
  428   HD11  ILE 872          HD11      ILE  62   8.793  16.220   2.996
  429   HD12  ILE 872          HD12      ILE  62   8.682  15.472   1.391
  430   HD13  ILE 872          HD13      ILE  62   8.733  14.451   2.837
  431    H    TYR 873           H        TYR  63   6.740  20.301   2.555
  432    HA   TYR 873           HA       TYR  63   4.045  21.259   3.205
  433    HB2  TYR 873           HB2      TYR  63   6.747  22.606   2.919
  434    HB3  TYR 873           HB3      TYR  63   5.265  23.497   3.122
  435    HD1  TYR 873           HD1      TYR  63   7.862  21.679   4.869
  436    HD2  TYR 873           HD2      TYR  63   3.762  23.014   5.156
  437    HE1  TYR 873           HE1      TYR  63   7.932  21.378   7.328
  438    HE2  TYR 873           HE2      TYR  63   3.843  22.715   7.621
  439    HH   TYR 873           HH       TYR  63   6.809  21.671   9.340
  440    H    ARG 874           H        ARG  64   4.920  19.857   0.685
  441    HA   ARG 874           HA       ARG  64   3.456  21.499  -1.223
  442    HB2  ARG 874           HB2      ARG  64   5.225  21.476  -2.953
  443    HB3  ARG 874           HB3      ARG  64   5.645  22.466  -1.558
  444    HG2  ARG 874           HG2      ARG  64   7.161  20.742  -0.706
  445    HG3  ARG 874           HG3      ARG  64   6.631  19.605  -1.960
  446    HD2  ARG 874           HD2      ARG  64   7.493  21.122  -3.704
  447    HD3  ARG 874           HD3      ARG  64   8.015  22.266  -2.448
  448    HE   ARG 874           HE       ARG  64   9.176  19.711  -1.912
  449   HH11  ARG 874          HH11      ARG  64   9.537  22.299  -4.247
  450   HH12  ARG 874          HH12      ARG  64  11.207  21.910  -4.560
  451   HH21  ARG 874          HH21      ARG  64  11.301  19.265  -2.359
  452   HH22  ARG 874          HH22      ARG  64  12.177  20.238  -3.507
  453    H1   ALA   1           H1       ALA  65  -0.197   6.076   3.439
  454    H2   ALA   1           H2       ALA  65   1.428   5.976   3.236
  455    H3   ALA   1           H3       ALA  65   0.680   5.086   4.416
  456    HA   ALA   1           HA       ALA  65   1.287   3.714   2.582
  457    HB1  ALA   1           HB1      ALA  65  -0.931   2.713   2.123
  458    HB2  ALA   1           HB2      ALA  65  -1.710   4.117   2.897
  459    HB3  ALA   1           HB3      ALA  65  -0.663   3.029   3.841
  460    H    ARG   2           H        ARG  66   1.948   3.849   0.615
  461    HA   ARG   2           HA       ARG  66   1.277   5.749  -1.336
  462    HB2  ARG   2           HB2      ARG  66   2.494   4.412  -2.897
  463    HB3  ARG   2           HB3      ARG  66   3.310   4.368  -1.362
  464    HG2  ARG   2           HG2      ARG  66   1.780   2.146  -2.756
  465    HG3  ARG   2           HG3      ARG  66   3.477   2.210  -2.328
  466    HD2  ARG   2           HD2      ARG  66   2.785   2.148   0.113
  467    HD3  ARG   2           HD3      ARG  66   1.130   1.811  -0.404
  468    HE   ARG   2           HE       ARG  66   3.429   0.009  -0.363
  469   HH11  ARG   2          HH11      ARG  66   3.262  -2.047  -0.850
  470   HH12  ARG   2          HH12      ARG  66   1.846  -2.694  -1.638
  471   HH21  ARG   2          HH21      ARG  66   0.269   0.389  -1.875
  472   HH22  ARG   2          HH22      ARG  66   0.168  -1.315  -2.229
  473    H    THR   3           H        THR  67  -0.401   6.136  -2.472
  474    HA   THR   3           HA       THR  67  -1.952   3.977  -3.837
  475    HB   THR   3           HB       THR  67  -3.978   5.385  -3.643
  476    HG1  THR   3           HG1      THR  67  -3.974   7.145  -2.283
  477   HG21  THR   3          HG21      THR  67  -3.573   3.609  -1.931
  478   HG22  THR   3          HG22      THR  67  -4.534   4.969  -1.333
  479   HG23  THR   3          HG23      THR  67  -2.820   4.836  -0.886
  480   HH31  ALY   4           H26      ALY  68   6.538   9.855  -9.953
  481   HH32  ALY   4           H27      ALY  68   5.160  10.854 -10.477
  482   HH33  ALY   4           H28      ALY  68   4.921   9.130 -10.088
  483    HZ   ALY   4           HZ1      ALY  68   3.236  10.548  -8.841
  484    HE3  ALY   4           HE3      ALY  68   4.174  11.558  -6.229
  485    HE2  ALY   4           HE2      ALY  68   2.535  11.650  -6.880
  486    HD3  ALY   4           HD3      ALY  68   3.874   9.093  -5.878
  487    HD2  ALY   4           HD2      ALY  68   2.757  10.096  -4.947
  488    HG3  ALY   4           HG3      ALY  68   0.968   9.701  -6.604
  489    HG2  ALY   4           HG2      ALY  68   2.070   8.671  -7.546
  490    HB3  ALY   4           HB3      ALY  68   2.247   7.091  -5.671
  491    HB2  ALY   4           HB2      ALY  68   1.312   8.168  -4.626
  492    HA   ALY   4           HA       ALY  68  -0.628   7.913  -6.251
  493    H    ALY   4           H        ALY  68   0.386   5.937  -4.412
  494    H    GLN   5           H        GLN  69   0.998   4.780  -6.750
  495    HA   GLN   5           HA       GLN  69   1.591   5.097  -9.518
  496    HB2  GLN   5           HB2      GLN  69   2.604   3.361  -8.146
  497    HB3  GLN   5           HB3      GLN  69   1.037   2.613  -7.854
  498    HG2  GLN   5           HG2      GLN  69   2.324   1.346  -9.508
  499    HG3  GLN   5           HG3      GLN  69   0.839   1.961 -10.200
  500   HE21  GLN   5          HE21      GLN  69   1.188   2.593 -12.325
  501   HE22  GLN   5          HE22      GLN  69   2.684   3.341 -12.893
  502    H    THR   6           H        THR  70   0.329   5.243 -11.258
  503    HA   THR   6           HA       THR  70  -2.542   4.706 -11.176
  504    HB   THR   6           HB       THR  70  -1.492   6.636 -12.400
  505    HG1  THR   6           HG1      THR  70  -3.549   6.185 -12.966
  506   HG21  THR   6          HG21      THR  70  -0.618   6.321 -14.636
  507   HG22  THR   6          HG22      THR  70  -0.789   4.558 -14.528
  508   HG23  THR   6          HG23      THR  70   0.394   5.413 -13.510
  509    H    ALA   7           H        ALA  71  -3.641   3.399 -12.852
  510    HA   ALA   7           HA       ALA  71  -4.190   1.386 -13.688
  511    HB1  ALA   7           HB1      ALA  71  -2.900   2.456 -15.488
  512    HB2  ALA   7           HB2      ALA  71  -2.816   0.689 -15.570
  513    HB3  ALA   7           HB3      ALA  71  -1.435   1.611 -14.950
  514    H    ARG   8           H        ARG  72  -3.262   1.070 -11.051
  515    HA   ARG   8           HA       ARG  72  -2.521  -1.791 -11.028
  516    HB2  ARG   8           HB2      ARG  72  -0.400  -0.481 -10.860
  517    HB3  ARG   8           HB3      ARG  72  -1.025   0.300  -9.399
  518    HG2  ARG   8           HG2      ARG  72  -1.133  -1.896  -8.263
  519    HG3  ARG   8           HG3      ARG  72  -0.618  -2.707  -9.756
  520    HD2  ARG   8           HD2      ARG  72   1.540  -1.433  -9.664
  521    HD3  ARG   8           HD3      ARG  72   1.002  -0.664  -8.174
  522    HE   ARG   8           HE       ARG  72   1.388  -2.604  -6.970
  523   HH11  ARG   8          HH11      ARG  72   1.827  -3.416 -10.366
  524   HH12  ARG   8          HH12      ARG  72   2.559  -4.947  -9.981
  525   HH21  ARG   8          HH21      ARG  72   2.808  -5.588  -7.898
  526   HH22  ARG   8          HH22      ARG  72   2.313  -4.566  -6.578
  Start of MODEL    9
    1    H1   GLY 811           H1       GLY   1  -6.152  24.200  -3.922
    2    H2   GLY 811           H2       GLY   1  -7.074  22.872  -4.161
    3    H3   GLY 811           H3       GLY   1  -5.566  22.715  -3.543
    4    HA2  GLY 811           HA2      GLY   1  -7.834  24.049  -2.200
    5    HA3  GLY 811           HA3      GLY   1  -7.223  22.433  -1.795
    6    HA   PRO 812           HA       PRO   2  -5.135  26.109   0.458
    7    HB2  PRO 812           HB2      PRO   2  -6.565  24.993   2.872
    8    HB3  PRO 812           HB3      PRO   2  -6.207  26.697   2.451
    9    HG2  PRO 812           HG2      PRO   2  -8.689  25.705   2.066
   10    HG3  PRO 812           HG3      PRO   2  -7.933  26.738   0.806
   11    HD2  PRO 812           HD2      PRO   2  -8.092  23.708   0.900
   12    HD3  PRO 812           HD3      PRO   2  -8.470  24.821  -0.448
   13    H    LEU 813           H        LEU   3  -3.242  26.020   1.613
   14    HA   LEU 813           HA       LEU   3  -1.725  23.654   1.698
   15    HB2  LEU 813           HB2      LEU   3  -1.259  26.214   3.285
   16    HB3  LEU 813           HB3      LEU   3  -0.046  25.014   2.864
   17    HG   LEU 813           HG       LEU   3  -1.508  26.839   0.900
   18   HD11  LEU 813          HD11      LEU   3   1.379  26.813   1.866
   19   HD12  LEU 813          HD12      LEU   3   0.134  27.988   2.338
   20   HD13  LEU 813          HD13      LEU   3   0.679  27.918   0.654
   21   HD21  LEU 813          HD21      LEU   3   0.122  26.027  -0.770
   22   HD22  LEU 813          HD22      LEU   3  -0.911  24.712  -0.197
   23   HD23  LEU 813          HD23      LEU   3   0.754  24.858   0.406
   24    H    GLY 814           H        GLY   4  -3.855  24.869   4.180
   25    HA2  GLY 814           HA2      GLY   4  -2.867  22.912   6.210
   26    HA3  GLY 814           HA3      GLY   4  -3.965  24.260   6.491
   27    H    SER 815           H        SER   5  -4.793  22.478   3.668
   28    HA   SER 815           HA       SER   5  -6.725  20.725   5.007
   29    HB2  SER 815           HB2      SER   5  -7.745  23.010   4.786
   30    HB3  SER 815           HB3      SER   5  -7.619  22.845   3.032
   31    HG   SER 815           HG       SER   5  -9.025  21.065   3.142
   32    H    VAL 816           H        VAL   6  -4.314  20.333   3.368
   33    HA   VAL 816           HA       VAL   6  -4.828  19.675   0.670
   34    HB   VAL 816           HB       VAL   6  -2.710  18.783   2.676
   35   HG11  VAL 816          HG11      VAL   6  -2.619  17.402   0.728
   36   HG12  VAL 816          HG12      VAL   6  -1.217  18.481   0.843
   37   HG13  VAL 816          HG13      VAL   6  -2.513  18.859  -0.319
   38   HG21  VAL 816          HG21      VAL   6  -2.898  21.305   2.395
   39   HG22  VAL 816          HG22      VAL   6  -2.532  21.078   0.676
   40   HG23  VAL 816          HG23      VAL   6  -1.366  20.611   1.952
   41    H    GLN 817           H        GLN   7  -5.609  17.921  -0.299
   42    HA   GLN 817           HA       GLN   7  -6.303  15.552   1.370
   43    HB2  GLN 817           HB2      GLN   7  -7.807  15.015  -0.479
   44    HB3  GLN 817           HB3      GLN   7  -8.177  16.529   0.337
   45    HG2  GLN 817           HG2      GLN   7  -8.173  17.689  -1.538
   46    HG3  GLN 817           HG3      GLN   7  -6.530  17.214  -1.894
   47   HE21  GLN 817          HE21      GLN   7  -6.215  15.057  -2.928
   48   HE22  GLN 817          HE22      GLN   7  -7.420  14.565  -4.138
   49    H    HIS 818           H        HIS   8  -4.971  13.843   1.326
   50    HA   HIS 818           HA       HIS   8  -3.426  13.301  -1.187
   51    HB2  HIS 818           HB2      HIS   8  -2.689  13.241   1.673
   52    HB3  HIS 818           HB3      HIS   8  -2.183  11.849   0.734
   53    HD2  HIS 818           HD2      HIS   8  -1.371  15.510   1.151
   54    HE1  HIS 818           HE1      HIS   8   0.720  14.308  -2.355
   55    HE2  HIS 818           HE2      HIS   8   0.318  16.224  -0.759
   56    H    VAL 819           H        VAL   9  -5.515  12.560  -1.935
   57    HA   VAL 819           HA       VAL   9  -6.544   9.964  -1.295
   58    HB   VAL 819           HB       VAL   9  -6.583  11.534  -3.854
   59   HG11  VAL 819          HG11      VAL   9  -8.132   9.017  -3.100
   60   HG12  VAL 819          HG12      VAL   9  -6.918   9.156  -4.403
   61   HG13  VAL 819          HG13      VAL   9  -8.440  10.045  -4.516
   62   HG21  VAL 819          HG21      VAL   9  -8.949  11.938  -3.153
   63   HG22  VAL 819          HG22      VAL   9  -7.810  12.577  -1.966
   64   HG23  VAL 819          HG23      VAL   9  -8.646  11.040  -1.651
   65    H    GLY 820           H        GLY  10  -5.737   8.006  -1.537
   66    HA2  GLY 820           HA2      GLY  10  -4.345   6.322  -2.418
   67    HA3  GLY 820           HA3      GLY  10  -3.349   7.534  -3.216
   68    H    PHE 821           H        PHE  11  -3.739   8.623  -0.013
   69    HA   PHE 821           HA       PHE  11  -1.546   6.881   1.051
   70    HB2  PHE 821           HB2      PHE  11  -1.639   9.869   1.376
   71    HB3  PHE 821           HB3      PHE  11  -0.376   8.756   1.867
   72    HD1  PHE 821           HD1      PHE  11  -2.065  10.210  -1.131
   73    HD2  PHE 821           HD2      PHE  11   1.553   8.620   0.561
   74    HE1  PHE 821           HE1      PHE  11  -0.815  11.036  -3.084
   75    HE2  PHE 821           HE2      PHE  11   2.799   9.343  -1.468
   76    HZ   PHE 821           HZ       PHE  11   1.625  10.690  -3.213
   77    H    LYS 822           H        LYS  12  -2.931   5.764   2.310
   78    HA   LYS 822           HA       LYS  12  -4.582   7.055   4.454
   79    HB2  LYS 822           HB2      LYS  12  -5.727   5.334   3.610
   80    HB3  LYS 822           HB3      LYS  12  -4.372   4.408   3.153
   81    HG2  LYS 822           HG2      LYS  12  -4.868   4.623   6.155
   82    HG3  LYS 822           HG3      LYS  12  -6.079   3.837   5.199
   83    HD2  LYS 822           HD2      LYS  12  -4.348   2.286   4.244
   84    HD3  LYS 822           HD3      LYS  12  -3.123   3.155   5.182
   85    HE2  LYS 822           HE2      LYS  12  -3.637   1.103   6.297
   86    HE3  LYS 822           HE3      LYS  12  -4.161   2.478   7.277
   87    HZ1  LYS 822           HZ1      LYS  12  -5.829   0.638   7.176
   88    HZ2  LYS 822           HZ2      LYS  12  -5.994   0.835   5.569
   89    HZ3  LYS 822           HZ3      LYS  12  -6.468   2.022   6.603
   90    H    CYS 823           H        CYS  13  -3.928   6.938   6.630
   91    HA   CYS 823           HA       CYS  13  -1.097   7.047   7.117
   92    HB2  CYS 823           HB2      CYS  13  -2.412   8.637   8.173
   93    HB3  CYS 823           HB3      CYS  13  -3.653   7.480   8.594
   94    H    ASP 824           H        ASP  14   0.021   5.988   8.763
   95    HA   ASP 824           HA       ASP  14  -0.462   3.054   9.055
   96    HB2  ASP 824           HB2      ASP  14   2.009   4.802   9.333
   97    HB3  ASP 824           HB3      ASP  14   1.946   3.137   9.870
   98    H    ASN 825           H        ASN  15   0.046   6.009  11.025
   99    HA   ASN 825           HA       ASN  15   0.208   4.629  13.581
  100    HB2  ASN 825           HB2      ASN  15   1.000   6.926  13.313
  101    HB3  ASN 825           HB3      ASN  15  -0.640   7.465  12.910
  102   HD21  ASN 825          HD21      ASN  15  -2.145   7.731  14.598
  103   HD22  ASN 825          HD22      ASN  15  -1.610   7.706  16.283
  104    H    CYS 826           H        CYS  16  -2.512   6.481  12.127
  105    HA   CYS 826           HA       CYS  16  -4.391   5.405  14.048
  106    HB2  CYS 826           HB2      CYS  16  -4.979   7.207  11.694
  107    HB3  CYS 826           HB3      CYS  16  -5.849   7.107  13.211
  108    H    GLY 827           H        GLY  17  -3.647   4.981  10.653
  109    HA2  GLY 827           HA2      GLY  17  -4.275   3.347   9.239
  110    HA3  GLY 827           HA3      GLY  17  -5.511   2.757  10.331
  111    H    ILE 828           H        ILE  18  -5.653   6.169  10.065
  112    HA   ILE 828           HA       ILE  18  -8.214   6.172   8.901
  113    HB   ILE 828           HB       ILE  18  -7.546   7.885  10.419
  114   HG12  ILE 828          HG12      ILE  18  -7.862   9.203   7.673
  115   HG13  ILE 828          HG13      ILE  18  -9.176   8.428   8.502
  116   HG21  ILE 828          HG21      ILE  18  -5.540   8.913   8.362
  117   HG22  ILE 828          HG22      ILE  18  -5.114   8.051   9.848
  118   HG23  ILE 828          HG23      ILE  18  -5.921   9.594   9.957
  119   HD11  ILE 828          HD11      ILE  18  -8.895  10.002  10.431
  120   HD12  ILE 828          HD12      ILE  18  -9.364  10.774   8.897
  121   HD13  ILE 828          HD13      ILE  18  -7.694  10.896   9.464
  122    H    GLU 829           H        GLU  19  -8.910   6.640   6.957
  123    HA   GLU 829           HA       GLU  19  -7.467   5.843   4.639
  124    HB2  GLU 829           HB2      GLU  19  -9.814   7.537   4.275
  125    HB3  GLU 829           HB3      GLU  19  -9.419   5.983   3.557
  126    HG2  GLU 829           HG2      GLU  19 -11.328   5.460   4.691
  127    HG3  GLU 829           HG3      GLU  19 -10.060   4.867   5.748
  128    HA   PRO 830           HA       PRO  20  -5.486   8.928   2.433
  129    HB2  PRO 830           HB2      PRO  20  -8.100  10.164   1.520
  130    HB3  PRO 830           HB3      PRO  20  -6.505  10.204   0.711
  131    HG2  PRO 830           HG2      PRO  20  -8.247   8.294   0.060
  132    HG3  PRO 830           HG3      PRO  20  -6.530   7.851   0.347
  133    HD2  PRO 830           HD2      PRO  20  -8.914   7.515   2.123
  134    HD3  PRO 830           HD3      PRO  20  -7.451   6.485   2.000
  135    H    ILE 831           H        ILE  21  -4.342  10.176   3.641
  136    HA   ILE 831           HA       ILE  21  -5.209  11.641   5.842
  137    HB   ILE 831           HB       ILE  21  -2.656  11.790   4.215
  138   HG12  ILE 831          HG12      ILE  21  -3.080  10.555   6.972
  139   HG13  ILE 831          HG13      ILE  21  -3.419   9.641   5.526
  140   HG21  ILE 831          HG21      ILE  21  -2.754  13.922   5.403
  141   HG22  ILE 831          HG22      ILE  21  -1.601  12.887   6.233
  142   HG23  ILE 831          HG23      ILE  21  -3.220  13.108   6.909
  143   HD11  ILE 831          HD11      ILE  21  -1.178   9.147   6.280
  144   HD12  ILE 831          HD12      ILE  21  -0.715  10.847   6.179
  145   HD13  ILE 831          HD13      ILE  21  -1.141   9.956   4.702
  146    H    GLN 832           H        GLN  22  -5.675  13.664   6.374
  147    HA   GLN 832           HA       GLN  22  -6.023  15.628   4.151
  148    HB2  GLN 832           HB2      GLN  22  -7.626  15.381   6.713
  149    HB3  GLN 832           HB3      GLN  22  -7.897  16.515   5.387
  150    HG2  GLN 832           HG2      GLN  22  -8.148  13.485   5.168
  151    HG3  GLN 832           HG3      GLN  22  -9.474  14.599   5.391
  152   HE21  GLN 832          HE21      GLN  22  -8.226  12.763   3.043
  153   HE22  GLN 832          HE22      GLN  22  -8.670  13.775   1.664
  154    H    GLY 833           H        GLY  23  -5.324  17.658   4.371
  155    HA2  GLY 833           HA2      GLY  23  -4.947  19.649   5.764
  156    HA3  GLY 833           HA3      GLY  23  -4.212  18.644   6.960
  157    H    VAL 834           H        VAL  24  -2.401  17.283   6.158
  158    HA   VAL 834           HA       VAL  24  -0.538  18.292   4.191
  159    HB   VAL 834           HB       VAL  24  -0.291  19.699   6.255
  160   HG11  VAL 834          HG11      VAL  24   0.683  17.214   7.646
  161   HG12  VAL 834          HG12      VAL  24  -0.889  18.010   7.912
  162   HG13  VAL 834          HG13      VAL  24   0.611  18.872   8.291
  163   HG21  VAL 834          HG21      VAL  24   1.681  19.426   4.839
  164   HG22  VAL 834          HG22      VAL  24   2.106  17.909   5.687
  165   HG23  VAL 834          HG23      VAL  24   2.156  19.461   6.532
  166    H    ARG 835           H        ARG  25   0.753  16.468   3.533
  167    HA   ARG 835           HA       ARG  25   0.185  13.906   5.012
  168    HB2  ARG 835           HB2      ARG  25  -0.160  13.827   2.615
  169    HB3  ARG 835           HB3      ARG  25   1.509  14.323   2.306
  170    HG2  ARG 835           HG2      ARG  25   2.335  12.226   3.311
  171    HG3  ARG 835           HG3      ARG  25   0.675  11.784   3.772
  172    HD2  ARG 835           HD2      ARG  25   1.192  10.562   1.813
  173    HD3  ARG 835           HD3      ARG  25   0.061  11.796   1.336
  174    HE   ARG 835           HE       ARG  25   1.678  12.805   0.007
  175   HH11  ARG 835          HH11      ARG  25   3.172  10.163   1.801
  176   HH12  ARG 835          HH12      ARG  25   4.648  10.263   0.882
  177   HH21  ARG 835          HH21      ARG  25   3.647  12.848  -1.136
  178   HH22  ARG 835          HH22      ARG  25   4.884  11.701  -0.733
  179    H    TRP 836           H        TRP  26   1.996  12.558   5.581
  180    HA   TRP 836           HA       TRP  26   4.557  14.051   5.980
  181    HB2  TRP 836           HB2      TRP  26   3.155  12.386   8.092
  182    HB3  TRP 836           HB3      TRP  26   4.839  12.739   8.093
  183    HD1  TRP 836           HD1      TRP  26   1.557  14.611   8.565
  184    HE1  TRP 836           HE1      TRP  26   2.096  16.899   9.681
  185    HE3  TRP 836           HE3      TRP  26   6.602  14.607   8.037
  186    HZ2  TRP 836           HZ2      TRP  26   4.435  18.318  10.533
  187    HZ3  TRP 836           HZ3      TRP  26   8.016  16.314   9.153
  188    HH2  TRP 836           HH2      TRP  26   6.947  18.147  10.445
  189    H    HIS 837           H        HIS  27   5.747  13.169   4.548
  190    HA   HIS 837           HA       HIS  27   5.503  10.299   3.752
  191    HB2  HIS 837           HB2      HIS  27   5.645  12.151   2.036
  192    HB3  HIS 837           HB3      HIS  27   7.213  12.590   2.683
  193    HD2  HIS 837           HD2      HIS  27   9.306  11.285   1.798
  194    HE1  HIS 837           HE1      HIS  27   7.290   8.230  -0.396
  195    HE2  HIS 837           HE2      HIS  27   9.561   9.247   0.144
  196    H    CYS 838           H        CYS  28   6.723   8.844   4.759
  197    HA   CYS 838           HA       CYS  28   8.843   9.569   6.518
  198    HB2  CYS 838           HB2      CYS  28   7.705   7.054   5.349
  199    HB3  CYS 838           HB3      CYS  28   9.341   7.015   6.019
  200    H    GLN 839           H        GLN  29  11.036   9.963   6.179
  201    HA   GLN 839           HA       GLN  29  11.886  10.179   3.421
  202    HB2  GLN 839           HB2      GLN  29  13.406  10.589   6.009
  203    HB3  GLN 839           HB3      GLN  29  14.056  10.887   4.405
  204    HG2  GLN 839           HG2      GLN  29  11.942  12.403   4.051
  205    HG3  GLN 839           HG3      GLN  29  11.875  12.447   5.811
  206   HE21  GLN 839          HE21      GLN  29  12.706  14.443   3.484
  207   HE22  GLN 839          HE22      GLN  29  14.191  15.122   4.150
  208    H    ASP 840           H        ASP  30  12.673   7.856   6.024
  209    HA   ASP 840           HA       ASP  30  14.738   6.597   4.284
  210    HB2  ASP 840           HB2      ASP  30  15.268   7.461   6.569
  211    HB3  ASP 840           HB3      ASP  30  14.152   6.284   7.223
  212    H    CYS 841           H        CYS  31  11.610   5.841   5.839
  213    HA   CYS 841           HA       CYS  31  11.745   3.022   5.429
  214    HB2  CYS 841           HB2      CYS  31   9.270   4.764   5.468
  215    HB3  CYS 841           HB3      CYS  31   9.339   3.030   5.589
  216    HA   PRO 842           HA       PRO  32  12.033   3.003   1.103
  217    HB2  PRO 842           HB2      PRO  32  11.434   0.451   0.357
  218    HB3  PRO 842           HB3      PRO  32  12.817   0.856   1.419
  219    HG2  PRO 842           HG2      PRO  32  10.044  -0.059   2.254
  220    HG3  PRO 842           HG3      PRO  32  11.624  -0.719   2.777
  221    HD2  PRO 842           HD2      PRO  32  10.253   1.143   4.246
  222    HD3  PRO 842           HD3      PRO  32  12.033   1.099   4.186
  223    HA   PRO 843           HA       PRO  33   8.263   4.054  -1.051
  224    HB2  PRO 843           HB2      PRO  33   9.533   2.586  -3.386
  225    HB3  PRO 843           HB3      PRO  33   8.687   4.163  -3.375
  226    HG2  PRO 843           HG2      PRO  33  11.382   4.107  -3.367
  227    HG3  PRO 843           HG3      PRO  33  10.535   5.206  -2.221
  228    HD2  PRO 843           HD2      PRO  33  11.714   2.469  -1.678
  229    HD3  PRO 843           HD3      PRO  33  11.858   3.984  -0.734
  230    H    GLU 844           H        GLU  34   9.354   0.692  -1.374
  231    HA   GLU 844           HA       GLU  34   6.955  -0.541  -2.229
  232    HB2  GLU 844           HB2      GLU  34   9.138  -1.634  -2.124
  233    HB3  GLU 844           HB3      GLU  34   9.121  -1.571  -0.351
  234    HG2  GLU 844           HG2      GLU  34   7.283  -3.133  -0.237
  235    HG3  GLU 844           HG3      GLU  34   6.985  -2.995  -1.973
  236    H    MET 845           H        MET  35   7.912   0.503   1.004
  237    HA   MET 845           HA       MET  35   5.392  -0.462   2.262
  238    HB2  MET 845           HB2      MET  35   7.834   0.936   3.400
  239    HB3  MET 845           HB3      MET  35   6.405   0.469   4.329
  240    HG2  MET 845           HG2      MET  35   8.130  -1.489   2.779
  241    HG3  MET 845           HG3      MET  35   8.323  -1.123   4.494
  242    HE1  MET 845           HE1      MET  35   5.446  -1.037   5.785
  243    HE2  MET 845           HE2      MET  35   6.826  -1.979   6.415
  244    HE3  MET 845           HE3      MET  35   5.236  -2.751   6.188
  245    H    SER 846           H        SER  36   7.103   2.595   1.609
  246    HA   SER 846           HA       SER  36   6.576   4.781   1.857
  247    HB2  SER 846           HB2      SER  36   5.714   4.177  -0.361
  248    HB3  SER 846           HB3      SER  36   4.106   3.938   0.345
  249    HG   SER 846           HG       SER  36   4.499   6.093  -0.570
  250    H    LEU 847           H        LEU  37   6.444   4.825   4.125
  251    HA   LEU 847           HA       LEU  37   3.865   4.430   5.444
  252    HB2  LEU 847           HB2      LEU  37   6.666   5.007   6.417
  253    HB3  LEU 847           HB3      LEU  37   5.307   5.427   7.421
  254    HG   LEU 847           HG       LEU  37   4.544   2.870   6.916
  255   HD11  LEU 847          HD11      LEU  37   6.383   1.368   6.737
  256   HD12  LEU 847          HD12      LEU  37   7.556   2.688   6.828
  257   HD13  LEU 847          HD13      LEU  37   6.535   2.508   5.377
  258   HD21  LEU 847          HD21      LEU  37   4.914   3.780   9.094
  259   HD22  LEU 847          HD22      LEU  37   6.668   3.785   8.777
  260   HD23  LEU 847          HD23      LEU  37   5.784   2.236   8.940
  261    H    ASP 848           H        ASP  38   2.661   6.010   6.582
  262    HA   ASP 848           HA       ASP  38   3.219   8.810   5.931
  263    HB2  ASP 848           HB2      ASP  38   0.590   7.542   5.148
  264    HB3  ASP 848           HB3      ASP  38   1.013   9.253   5.096
  265    H    PHE 849           H        PHE  39   2.298  10.310   7.227
  266    HA   PHE 849           HA       PHE  39   0.487   9.411   9.402
  267    HB2  PHE 849           HB2      PHE  39   2.963  11.127   9.981
  268    HB3  PHE 849           HB3      PHE  39   1.772  10.550  11.075
  269    HD1  PHE 849           HD1      PHE  39   4.462   9.271   8.696
  270    HD2  PHE 849           HD2      PHE  39   1.953   8.485  12.129
  271    HE1  PHE 849           HE1      PHE  39   5.583   7.168   9.060
  272    HE2  PHE 849           HE2      PHE  39   3.135   6.322  12.484
  273    HZ   PHE 849           HZ       PHE  39   4.994   5.643  10.932
  274    H    CYS 850           H        CYS  40  -1.014  10.853  10.150
  275    HA   CYS 850           HA       CYS  40  -1.730  13.081   8.567
  276    HB2  CYS 850           HB2      CYS  40  -2.592  12.433  11.408
  277    HB3  CYS 850           HB3      CYS  40  -3.530  13.284  10.186
  278    H    ASP 851           H        ASP  41  -2.382  15.205   9.670
  279    HA   ASP 851           HA       ASP  41  -0.159  16.756  10.452
  280    HB2  ASP 851           HB2      ASP  41  -1.676  18.498  10.759
  281    HB3  ASP 851           HB3      ASP  41  -2.345  17.544   9.451
  282    H    SER 852           H        SER  42  -2.465  14.969  12.468
  283    HA   SER 852           HA       SER  42  -1.428  16.072  14.959
  284    HB2  SER 852           HB2      SER  42  -3.835  15.685  14.644
  285    HB3  SER 852           HB3      SER  42  -3.528  13.952  14.431
  286    HG   SER 852           HG       SER  42  -3.205  15.533  16.783
  287    H    CYS 853           H        CYS  43  -1.372  12.869  13.303
  288    HA   CYS 853           HA       CYS  43  -0.126  11.632  15.578
  289    HB2  CYS 853           HB2      CYS  43  -0.692   9.643  14.590
  290    HB3  CYS 853           HB3      CYS  43  -1.998  10.755  14.166
  291    H    SER 854           H        SER  44   1.025  13.000  12.641
  292    HA   SER 854           HA       SER  44   3.579  11.749  12.371
  293    HB2  SER 854           HB2      SER  44   4.261  13.883  11.337
  294    HB3  SER 854           HB3      SER  44   2.679  13.367  10.758
  295    HG   SER 854           HG       SER  44   1.757  14.994  11.753
  296    H    ASP 855           H        ASP  45   2.342  13.449  15.055
  297    HA   ASP 855           HA       ASP  45   4.857  14.468  16.111
  298    HB2  ASP 855           HB2      ASP  45   2.569  15.383  16.671
  299    HB3  ASP 855           HB3      ASP  45   2.233  13.874  17.533
  300    H    CYS 856           H        CYS  46   3.584  11.342  15.668
  301    HA   CYS 856           HA       CYS  46   4.622  10.201  18.160
  302    HB2  CYS 856           HB2      CYS  46   2.403   9.514  17.401
  303    HB3  CYS 856           HB3      CYS  46   3.105   8.893  15.886
  304    HG   CYS 856           HG       CYS  46   2.517   6.871  17.416
  305    H    LEU 857           H        LEU  47   6.350   8.934  18.282
  306    HA   LEU 857           HA       LEU  47   8.121   8.708  15.913
  307    HB2  LEU 857           HB2      LEU  47   9.000   9.779  17.893
  308    HB3  LEU 857           HB3      LEU  47   8.727   8.334  18.869
  309    HG   LEU 857           HG       LEU  47  10.441   7.105  17.722
  310   HD11  LEU 857          HD11      LEU  47  10.092   7.630  15.416
  311   HD12  LEU 857          HD12      LEU  47  11.725   8.223  15.795
  312   HD13  LEU 857          HD13      LEU  47  10.390   9.370  15.687
  313   HD21  LEU 857          HD21      LEU  47  11.394   9.987  18.052
  314   HD22  LEU 857          HD22      LEU  47  12.410   8.533  18.091
  315   HD23  LEU 857          HD23      LEU  47  11.212   8.800  19.365
  316    H    HIS 858           H        HIS  48   6.666   7.205  14.975
  317    HA   HIS 858           HA       HIS  48   6.146   4.664  16.328
  318    HB2  HIS 858           HB2      HIS  48   4.341   5.969  15.184
  319    HB3  HIS 858           HB3      HIS  48   5.183   5.739  13.652
  320    HD2  HIS 858           HD2      HIS  48   4.027   3.885  12.255
  321    HE1  HIS 858           HE1      HIS  48   2.784   1.260  15.384
  322    HE2  HIS 858           HE2      HIS  48   2.796   1.633  12.866
  323    H    GLU 859           H        GLU  49   6.369   2.592  15.218
  324    HA   GLU 859           HA       GLU  49   8.434   2.387  13.146
  325    HB2  GLU 859           HB2      GLU  49   8.732   0.829  15.767
  326    HB3  GLU 859           HB3      GLU  49   9.907   1.010  14.514
  327    HG2  GLU 859           HG2      GLU  49  10.142   3.451  15.153
  328    HG3  GLU 859           HG3      GLU  49   9.002   3.134  16.458
  329    H    THR 860           H        THR  50   8.659   0.294  12.198
  330    HA   THR 860           HA       THR  50   6.549  -1.711  12.903
  331    HB   THR 860           HB       THR  50   5.958  -2.076  10.628
  332    HG1  THR 860           HG1      THR  50   6.897  -0.864   8.962
  333   HG21  THR 860          HG21      THR  50   4.965   0.033   9.915
  334   HG22  THR 860          HG22      THR  50   5.995   0.937  11.048
  335   HG23  THR 860          HG23      THR  50   4.765  -0.176  11.670
  336    H    ASP 861           H        ASP  51   7.410  -3.365  10.633
  337    HA   ASP 861           HA       ASP  51   9.709  -4.751  11.754
  338    HB2  ASP 861           HB2      ASP  51   8.111  -5.163   9.266
  339    HB3  ASP 861           HB3      ASP  51   9.381  -6.239   9.829
  340    H    ILE 862           H        ILE  52   9.114  -2.295   9.391
  341    HA   ILE 862           HA       ILE  52  11.924  -2.412   8.480
  342    HB   ILE 862           HB       ILE  52   9.433  -1.586   7.013
  343   HG12  ILE 862          HG12      ILE  52  11.697  -3.626   6.651
  344   HG13  ILE 862          HG13      ILE  52  10.041  -3.991   7.123
  345   HG21  ILE 862          HG21      ILE  52  11.161  -0.911   5.227
  346   HG22  ILE 862          HG22      ILE  52  12.359  -0.901   6.546
  347   HG23  ILE 862          HG23      ILE  52  10.965   0.201   6.585
  348   HD11  ILE 862          HD11      ILE  52  10.900  -2.937   4.433
  349   HD12  ILE 862          HD12      ILE  52   9.216  -3.185   4.983
  350   HD13  ILE 862          HD13      ILE  52  10.324  -4.564   4.837
  351    H    HIS 863           H        HIS  53   9.213  -0.300   9.452
  352    HA   HIS 863           HA       HIS  53  10.832   2.108   9.314
  353    HB2  HIS 863           HB2      HIS  53   8.496   2.406   9.072
  354    HB3  HIS 863           HB3      HIS  53   8.082   1.489  10.452
  355    HD1  HIS 863           HD1      HIS  53  10.858   4.186  11.213
  356    HD2  HIS 863           HD2      HIS  53   6.779   3.693  10.938
  357    HE1  HIS 863           HE1      HIS  53   9.918   6.478  11.074
  358    H    LYS 864           H        LYS  54  12.215   2.747  10.785
  359    HA   LYS 864           HA       LYS  54  11.551   2.133  13.615
  360    HB2  LYS 864           HB2      LYS  54  14.307   2.135  12.306
  361    HB3  LYS 864           HB3      LYS  54  13.956   1.907  14.003
  362    HG2  LYS 864           HG2      LYS  54  13.000   0.015  11.714
  363    HG3  LYS 864           HG3      LYS  54  14.431  -0.234  12.644
  364    HD2  LYS 864           HD2      LYS  54  13.105  -0.518  14.735
  365    HD3  LYS 864           HD3      LYS  54  11.658  -0.201  13.868
  366    HE2  LYS 864           HE2      LYS  54  11.688  -2.503  13.906
  367    HE3  LYS 864           HE3      LYS  54  12.242  -2.129  12.285
  368    HZ1  LYS 864           HZ1      LYS  54  13.640  -3.841  13.353
  369    HZ2  LYS 864           HZ2      LYS  54  14.016  -2.841  14.583
  370    HZ3  LYS 864           HZ3      LYS  54  14.552  -2.519  13.072
  371    H    GLU 865           H        GLU  55  12.615   3.512  15.188
  372    HA   GLU 865           HA       GLU  55  12.245   6.290  14.674
  373    HB2  GLU 865           HB2      GLU  55  12.873   6.563  16.974
  374    HB3  GLU 865           HB3      GLU  55  11.845   5.151  16.820
  375    HG2  GLU 865           HG2      GLU  55  14.004   3.754  16.837
  376    HG3  GLU 865           HG3      GLU  55  14.877   5.236  17.197
  377    H    ASP 866           H        ASP  56  14.643   4.558  13.446
  378    HA   ASP 866           HA       ASP  56  17.033   6.044  13.948
  379    HB2  ASP 866           HB2      ASP  56  16.164   4.277  11.700
  380    HB3  ASP 866           HB3      ASP  56  17.786   4.934  11.854
  381    H    HIS 867           H        HIS  57  14.145   6.611  11.933
  382    HA   HIS 867           HA       HIS  57  15.609   8.740  10.524
  383    HB2  HIS 867           HB2      HIS  57  14.631   8.284   8.693
  384    HB3  HIS 867           HB3      HIS  57  14.766   6.648   9.307
  385    HD1  HIS 867           HD1      HIS  57  12.427   9.290   8.084
  386    HD2  HIS 867           HD2      HIS  57  12.283   5.524   9.921
  387    HE1  HIS 867           HE1      HIS  57  10.057   8.514   7.815
  388    H    GLN 868           H        GLN  58  13.783   9.922   9.281
  389    HA   GLN 868           HA       GLN  58  12.142  11.505  11.131
  390    HB2  GLN 868           HB2      GLN  58  13.110  13.596  10.444
  391    HB3  GLN 868           HB3      GLN  58  14.363  12.563  11.121
  392    HG2  GLN 868           HG2      GLN  58  13.888  13.005   8.138
  393    HG3  GLN 868           HG3      GLN  58  15.072  13.870   9.097
  394   HE21  GLN 868          HE21      GLN  58  16.965  12.659   9.917
  395   HE22  GLN 868          HE22      GLN  58  17.342  11.104   9.194
  396    H    LEU 869           H        LEU  59  10.582  12.799  10.134
  397    HA   LEU 869           HA       LEU  59   9.558  11.808   7.495
  398    HB2  LEU 869           HB2      LEU  59   8.120  13.580   9.497
  399    HB3  LEU 869           HB3      LEU  59   7.441  12.610   8.190
  400    HG   LEU 869           HG       LEU  59   6.713  11.702  10.154
  401   HD11  LEU 869          HD11      LEU  59   7.392  10.126   8.454
  402   HD12  LEU 869          HD12      LEU  59   7.450   9.435  10.080
  403   HD13  LEU 869          HD13      LEU  59   8.967   9.909   9.287
  404   HD21  LEU 869          HD21      LEU  59   7.896  10.964  12.051
  405   HD22  LEU 869          HD22      LEU  59   8.441  12.620  11.737
  406   HD23  LEU 869          HD23      LEU  59   9.474  11.231  11.308
  407    H    GLU 870           H        GLU  60   8.580  13.183   5.977
  408    HA   GLU 870           HA       GLU  60   9.352  16.054   6.268
  409    HB2  GLU 870           HB2      GLU  60   9.752  16.268   3.970
  410    HB3  GLU 870           HB3      GLU  60  10.828  15.074   4.681
  411    HG2  GLU 870           HG2      GLU  60   9.544  13.274   3.623
  412    HG3  GLU 870           HG3      GLU  60   8.354  14.446   3.026
  413    HA   PRO 871           HA       PRO  61   4.947  16.628   5.848
  414    HB2  PRO 871           HB2      PRO  61   4.780  19.325   6.021
  415    HB3  PRO 871           HB3      PRO  61   5.285  18.323   7.414
  416    HG2  PRO 871           HG2      PRO  61   7.055  19.836   5.463
  417    HG3  PRO 871           HG3      PRO  61   7.151  19.802   7.251
  418    HD2  PRO 871           HD2      PRO  61   8.696  18.197   5.615
  419    HD3  PRO 871           HD3      PRO  61   8.178  17.708   7.253
  420    H    ILE 872           H        ILE  62   3.401  17.232   4.230
  421    HA   ILE 872           HA       ILE  62   4.474  18.411   1.704
  422    HB   ILE 872           HB       ILE  62   2.478  16.188   1.747
  423   HG12  ILE 872          HG12      ILE  62   4.545  15.233   2.823
  424   HG13  ILE 872          HG13      ILE  62   4.043  14.440   1.366
  425   HG21  ILE 872          HG21      ILE  62   4.340  17.235  -0.431
  426   HG22  ILE 872          HG22      ILE  62   2.641  17.641  -0.250
  427   HG23  ILE 872          HG23      ILE  62   3.109  15.976  -0.625
  428   HD11  ILE 872          HD11      ILE  62   6.220  16.545   1.398
  429   HD12  ILE 872          HD12      ILE  62   5.786  15.457   0.064
  430   HD13  ILE 872          HD13      ILE  62   6.504  14.795   1.548
  431    H    TYR 873           H        TYR  63   3.462  20.171   1.396
  432    HA   TYR 873           HA       TYR  63   0.895  20.740   2.689
  433    HB2  TYR 873           HB2      TYR  63   3.034  22.558   1.520
  434    HB3  TYR 873           HB3      TYR  63   1.553  23.109   2.280
  435    HD1  TYR 873           HD1      TYR  63   1.052  22.384   4.705
  436    HD2  TYR 873           HD2      TYR  63   4.968  22.171   2.903
  437    HE1  TYR 873           HE1      TYR  63   2.090  22.336   6.963
  438    HE2  TYR 873           HE2      TYR  63   6.006  22.137   5.163
  439    HH   TYR 873           HH       TYR  63   5.638  22.320   7.448
  440    H    ARG 874           H        ARG  64   1.369  19.300   0.038
  441    HA   ARG 874           HA       ARG  64  -0.715  20.596  -1.552
  442    HB2  ARG 874           HB2      ARG  64   0.721  20.740  -3.566
  443    HB3  ARG 874           HB3      ARG  64   1.186  21.854  -2.274
  444    HG2  ARG 874           HG2      ARG  64   3.099  20.438  -1.671
  445    HG3  ARG 874           HG3      ARG  64   2.604  19.219  -2.867
  446    HD2  ARG 874           HD2      ARG  64   2.831  20.880  -4.661
  447    HD3  ARG 874           HD3      ARG  64   3.317  22.106  -3.464
  448    HE   ARG 874           HE       ARG  64   5.043  19.840  -3.235
  449   HH11  ARG 874          HH11      ARG  64   7.124  19.858  -4.021
  450   HH12  ARG 874          HH12      ARG  64   7.581  20.983  -5.262
  451   HH21  ARG 874          HH21      ARG  64   4.490  22.462  -5.487
  452   HH22  ARG 874          HH22      ARG  64   6.130  22.428  -6.082
  453    H1   ALA   1           H1       ALA  65   1.374   4.663   5.215
  454    H2   ALA   1           H2       ALA  65   0.039   5.317   4.503
  455    H3   ALA   1           H3       ALA  65   1.524   5.572   3.842
  456    HA   ALA   1           HA       ALA  65   1.770   3.276   3.345
  457    HB1  ALA   1           HB1      ALA  65  -0.144   1.748   3.594
  458    HB2  ALA   1           HB2      ALA  65  -1.054   3.024   4.428
  459    HB3  ALA   1           HB3      ALA  65   0.418   2.350   5.161
  460    H    ARG   2           H        ARG  66   1.881   3.475   1.245
  461    HA   ARG   2           HA       ARG  66   0.122   4.944  -0.417
  462    HB2  ARG   2           HB2      ARG  66   1.256   4.085  -2.275
  463    HB3  ARG   2           HB3      ARG  66   2.444   4.273  -1.014
  464    HG2  ARG   2           HG2      ARG  66   1.264   1.695  -2.131
  465    HG3  ARG   2           HG3      ARG  66   2.918   2.258  -2.242
  466    HD2  ARG   2           HD2      ARG  66   3.302   1.883   0.118
  467    HD3  ARG   2           HD3      ARG  66   1.621   1.439   0.405
  468    HE   ARG   2           HE       ARG  66   3.718  -0.245  -0.629
  469   HH11  ARG   2          HH11      ARG  66   3.341  -2.333  -1.015
  470   HH12  ARG   2          HH12      ARG  66   1.718  -2.951  -1.176
  471   HH21  ARG   2          HH21      ARG  66   0.191   0.112  -0.650
  472   HH22  ARG   2          HH22      ARG  66  -0.029  -1.591  -0.949
  473    H    THR   3           H        THR  67  -1.814   4.664  -1.032
  474    HA   THR   3           HA       THR  67  -2.906   1.995  -1.818
  475    HB   THR   3           HB       THR  67  -5.149   2.850  -1.173
  476    HG1  THR   3           HG1      THR  67  -5.306   4.729   0.005
  477   HG21  THR   3          HG21      THR  67  -3.239   3.024   1.190
  478   HG22  THR   3          HG22      THR  67  -3.805   1.495   0.476
  479   HG23  THR   3          HG23      THR  67  -4.961   2.614   1.224
  480   HH31  ALY   4           H26      ALY  68   0.011  10.073 -10.810
  481   HH32  ALY   4           H27      ALY  68  -1.613  10.648 -10.353
  482   HH33  ALY   4           H28      ALY  68  -1.233   8.917 -10.289
  483    HZ   ALY   4           HZ1      ALY  68  -2.211   9.480  -8.104
  484    HE3  ALY   4           HE3      ALY  68  -0.332  10.656  -6.137
  485    HE2  ALY   4           HE2      ALY  68  -2.031  10.263  -5.868
  486    HD3  ALY   4           HD3      ALY  68   0.206   8.205  -6.197
  487    HD2  ALY   4           HD2      ALY  68  -0.449   8.777  -4.661
  488    HG3  ALY   4           HG3      ALY  68  -2.739   7.951  -5.429
  489    HG2  ALY   4           HG2      ALY  68  -1.916   7.156  -6.781
  490    HB3  ALY   4           HB3      ALY  68  -0.482   5.910  -5.130
  491    HB2  ALY   4           HB2      ALY  68  -1.333   6.731  -3.817
  492    HA   ALY   4           HA       ALY  68  -3.506   5.698  -4.869
  493    H    ALY   4           H        ALY  68  -1.569   4.607  -3.055
  494    H    GLN   5           H        GLN  69  -4.100   5.033  -6.885
  495    HA   GLN   5           HA       GLN  69  -3.532   2.398  -7.696
  496    HB2  GLN   5           HB2      GLN  69  -5.636   3.576  -8.106
  497    HB3  GLN   5           HB3      GLN  69  -4.829   4.710  -9.183
  498    HG2  GLN   5           HG2      GLN  69  -6.099   3.110 -10.475
  499    HG3  GLN   5           HG3      GLN  69  -4.387   2.917 -10.810
  500   HE21  GLN   5          HE21      GLN  69  -5.188   0.763 -11.687
  501   HE22  GLN   5          HE22      GLN  69  -5.364  -0.555 -10.537
  502    H    THR   6           H        THR  70  -2.034   5.398  -8.807
  503    HA   THR   6           HA       THR  70   0.183   3.952 -10.002
  504    HB   THR   6           HB       THR  70  -1.506   4.032 -11.870
  505    HG1  THR   6           HG1      THR  70   0.570   3.866 -12.512
  506   HG21  THR   6          HG21      THR  70  -2.480   6.287 -11.393
  507   HG22  THR   6          HG22      THR  70  -1.916   6.094 -13.058
  508   HG23  THR   6          HG23      THR  70  -0.945   7.031 -11.908
  509    H    ALA   7           H        ALA  71   1.849   5.660 -10.867
  510    HA   ALA   7           HA       ALA  71   1.686   8.258  -9.495
  511    HB1  ALA   7           HB1      ALA  71   2.604   6.779  -7.760
  512    HB2  ALA   7           HB2      ALA  71   3.827   7.934  -8.322
  513    HB3  ALA   7           HB3      ALA  71   3.881   6.243  -8.875
  514    H    ARG   8           H        ARG  72   3.065   9.830 -10.280
  515    HA   ARG   8           HA       ARG  72   3.921   9.599 -13.045
  516    HB2  ARG   8           HB2      ARG  72   2.924  11.643 -12.055
  517    HB3  ARG   8           HB3      ARG  72   4.346  11.840 -11.024
  518    HG2  ARG   8           HG2      ARG  72   5.784  12.098 -13.014
  519    HG3  ARG   8           HG3      ARG  72   4.400  11.832 -14.084
  520    HD2  ARG   8           HD2      ARG  72   4.641  14.116 -12.087
  521    HD3  ARG   8           HD3      ARG  72   5.057  14.229 -13.808
  522    HE   ARG   8           HE       ARG  72   2.430  13.269 -13.739
  523   HH11  ARG   8          HH11      ARG  72   4.031  16.228 -12.785
  524   HH12  ARG   8          HH12      ARG  72   2.597  17.193 -13.015
  525   HH21  ARG   8          HH21      ARG  72   0.634  14.549 -14.011
  526   HH22  ARG   8          HH22      ARG  72   0.728  16.254 -13.692
  Start of MODEL   10
    1    H1   GLY 811           H1       GLY   1  -0.372  26.655  -1.279
    2    H2   GLY 811           H2       GLY   1  -1.624  26.965  -2.282
    3    H3   GLY 811           H3       GLY   1  -0.333  26.125  -2.827
    4    HA2  GLY 811           HA2      GLY   1  -2.177  24.620  -2.442
    5    HA3  GLY 811           HA3      GLY   1  -0.818  24.260  -1.364
    6    HA   PRO 812           HA       PRO   2  -4.949  25.229   0.771
    7    HB2  PRO 812           HB2      PRO   2  -5.033  22.303   1.455
    8    HB3  PRO 812           HB3      PRO   2  -6.368  23.397   0.986
    9    HG2  PRO 812           HG2      PRO   2  -5.358  21.649  -0.815
   10    HG3  PRO 812           HG3      PRO   2  -5.731  23.334  -1.307
   11    HD2  PRO 812           HD2      PRO   2  -3.046  22.166  -0.524
   12    HD3  PRO 812           HD3      PRO   2  -3.477  23.156  -1.948
   13    H    LEU 813           H        LEU   3  -2.170  23.570   1.898
   14    HA   LEU 813           HA       LEU   3  -0.933  23.553   3.774
   15    HB2  LEU 813           HB2      LEU   3  -2.502  26.078   4.314
   16    HB3  LEU 813           HB3      LEU   3  -1.177  25.563   5.339
   17    HG   LEU 813           HG       LEU   3  -0.666  25.806   2.365
   18   HD11  LEU 813          HD11      LEU   3  -0.067  28.176   2.668
   19   HD12  LEU 813          HD12      LEU   3  -0.692  28.128   4.334
   20   HD13  LEU 813          HD13      LEU   3  -1.795  27.911   2.956
   21   HD21  LEU 813          HD21      LEU   3   1.051  26.420   4.810
   22   HD22  LEU 813          HD22      LEU   3   1.573  26.390   3.112
   23   HD23  LEU 813          HD23      LEU   3   1.078  24.894   3.916
   24    H    GLY 814           H        GLY   4  -4.289  24.025   4.853
   25    HA2  GLY 814           HA2      GLY   4  -3.704  22.396   7.315
   26    HA3  GLY 814           HA3      GLY   4  -4.783  23.788   7.252
   27    H    SER 815           H        SER   5  -5.357  22.000   4.487
   28    HA   SER 815           HA       SER   5  -7.465  20.297   5.657
   29    HB2  SER 815           HB2      SER   5  -9.073  21.286   4.061
   30    HB3  SER 815           HB3      SER   5  -8.421  22.490   5.195
   31    HG   SER 815           HG       SER   5  -8.418  23.256   3.013
   32    H    VAL 816           H        VAL   6  -4.822  19.916   4.038
   33    HA   VAL 816           HA       VAL   6  -5.403  19.141   1.383
   34    HB   VAL 816           HB       VAL   6  -3.139  18.421   3.297
   35   HG11  VAL 816          HG11      VAL   6  -3.163  18.448   0.296
   36   HG12  VAL 816          HG12      VAL   6  -3.057  17.025   1.376
   37   HG13  VAL 816          HG13      VAL   6  -1.736  18.213   1.347
   38   HG21  VAL 816          HG21      VAL   6  -1.961  20.330   2.537
   39   HG22  VAL 816          HG22      VAL   6  -3.524  20.955   2.973
   40   HG23  VAL 816          HG23      VAL   6  -3.166  20.677   1.257
   41    H    GLN 817           H        GLN   7  -6.178  17.334   0.528
   42    HA   GLN 817           HA       GLN   7  -6.665  14.996   2.318
   43    HB2  GLN 817           HB2      GLN   7  -8.329  14.392   0.608
   44    HB3  GLN 817           HB3      GLN   7  -8.672  15.887   1.481
   45    HG2  GLN 817           HG2      GLN   7  -8.870  17.079  -0.371
   46    HG3  GLN 817           HG3      GLN   7  -7.271  16.623  -0.909
   47   HE21  GLN 817          HE21      GLN   7  -7.055  14.463  -1.980
   48   HE22  GLN 817          HE22      GLN   7  -8.377  13.979  -3.064
   49    H    HIS 818           H        HIS   8  -5.308  13.315   2.144
   50    HA   HIS 818           HA       HIS   8  -4.055  12.790  -0.523
   51    HB2  HIS 818           HB2      HIS   8  -2.968  12.769   2.230
   52    HB3  HIS 818           HB3      HIS   8  -2.472  11.449   1.178
   53    HD2  HIS 818           HD2      HIS   8  -1.846  15.085   1.719
   54    HE1  HIS 818           HE1      HIS   8  -0.649  14.457  -2.309
   55    HE2  HIS 818           HE2      HIS   8  -0.719  16.138  -0.442
   56    H    VAL 819           H        VAL   9  -6.114  11.948  -1.063
   57    HA   VAL 819           HA       VAL   9  -6.998   9.343  -0.307
   58    HB   VAL 819           HB       VAL   9  -7.276  10.875  -2.877
   59   HG11  VAL 819          HG11      VAL   9  -8.741   8.363  -1.954
   60   HG12  VAL 819          HG12      VAL   9  -7.631   8.473  -3.349
   61   HG13  VAL 819          HG13      VAL   9  -9.164   9.357  -3.361
   62   HG21  VAL 819          HG21      VAL   9  -8.362  11.935  -0.903
   63   HG22  VAL 819          HG22      VAL   9  -9.124  10.384  -0.484
   64   HG23  VAL 819          HG23      VAL   9  -9.589  11.246  -1.971
   65    H    GLY 820           H        GLY  10  -6.125   7.410  -0.545
   66    HA2  GLY 820           HA2      GLY  10  -4.748   5.748  -1.477
   67    HA3  GLY 820           HA3      GLY  10  -3.914   6.950  -2.455
   68    H    PHE 821           H        PHE  11  -4.044   8.153   0.749
   69    HA   PHE 821           HA       PHE  11  -1.681   6.571   1.660
   70    HB2  PHE 821           HB2      PHE  11  -1.873   9.558   1.977
   71    HB3  PHE 821           HB3      PHE  11  -0.544   8.509   2.392
   72    HD1  PHE 821           HD1      PHE  11  -2.448   9.879  -0.522
   73    HD2  PHE 821           HD2      PHE  11   1.281   8.316   0.948
   74    HE1  PHE 821           HE1      PHE  11  -1.299  10.744  -2.531
   75    HE2  PHE 821           HE2      PHE  11   2.406   9.063  -1.141
   76    HZ   PHE 821           HZ       PHE  11   1.117  10.396  -2.818
   77    H    LYS 822           H        LYS  12  -2.947   5.404   3.034
   78    HA   LYS 822           HA       LYS  12  -4.457   6.719   5.281
   79    HB2  LYS 822           HB2      LYS  12  -5.612   4.916   4.668
   80    HB3  LYS 822           HB3      LYS  12  -4.282   4.016   4.101
   81    HG2  LYS 822           HG2      LYS  12  -4.455   4.395   7.132
   82    HG3  LYS 822           HG3      LYS  12  -5.716   3.510   6.377
   83    HD2  LYS 822           HD2      LYS  12  -4.015   1.984   5.291
   84    HD3  LYS 822           HD3      LYS  12  -2.748   2.931   6.095
   85    HE2  LYS 822           HE2      LYS  12  -3.105   0.906   7.318
   86    HE3  LYS 822           HE3      LYS  12  -3.590   2.294   8.294
   87    HZ1  LYS 822           HZ1      LYS  12  -5.188   0.398   8.391
   88    HZ2  LYS 822           HZ2      LYS  12  -5.502   0.542   6.796
   89    HZ3  LYS 822           HZ3      LYS  12  -5.922   1.743   7.840
   90    H    CYS 823           H        CYS  13  -3.589   6.768   7.363
   91    HA   CYS 823           HA       CYS  13  -0.745   6.954   7.627
   92    HB2  CYS 823           HB2      CYS  13  -1.944   8.506   8.805
   93    HB3  CYS 823           HB3      CYS  13  -3.224   7.391   9.215
   94    H    ASP 824           H        ASP  14   0.541   5.934   9.158
   95    HA   ASP 824           HA       ASP  14   0.134   2.995   9.541
   96    HB2  ASP 824           HB2      ASP  14   2.602   4.772   9.552
   97    HB3  ASP 824           HB3      ASP  14   2.608   3.103  10.086
   98    H    ASN 825           H        ASN  15   0.804   6.010  11.383
   99    HA   ASN 825           HA       ASN  15   1.486   4.723  13.862
  100    HB2  ASN 825           HB2      ASN  15   1.911   7.118  13.154
  101    HB3  ASN 825           HB3      ASN  15   0.223   7.452  13.524
  102   HD21  ASN 825          HD21      ASN  15  -0.438   7.212  15.823
  103   HD22  ASN 825          HD22      ASN  15   0.814   7.276  17.061
  104    H    CYS 826           H        CYS  16  -1.574   6.250  12.783
  105    HA   CYS 826           HA       CYS  16  -3.005   4.852  14.948
  106    HB2  CYS 826           HB2      CYS  16  -4.246   6.719  15.389
  107    HB3  CYS 826           HB3      CYS  16  -2.611   7.306  15.238
  108    H    GLY 827           H        GLY  17  -2.726   4.875  11.558
  109    HA2  GLY 827           HA2      GLY  17  -3.513   3.249  10.202
  110    HA3  GLY 827           HA3      GLY  17  -4.614   2.692  11.443
  111    H    ILE 828           H        ILE  18  -4.933   6.024  11.034
  112    HA   ILE 828           HA       ILE  18  -7.562   5.816  10.130
  113    HB   ILE 828           HB       ILE  18  -6.887   7.600  11.540
  114   HG12  ILE 828          HG12      ILE  18  -7.548   8.843   8.822
  115   HG13  ILE 828          HG13      ILE  18  -8.727   8.022   9.812
  116   HG21  ILE 828          HG21      ILE  18  -4.524   7.855  10.779
  117   HG22  ILE 828          HG22      ILE  18  -5.385   9.373  10.913
  118   HG23  ILE 828          HG23      ILE  18  -5.105   8.665   9.309
  119   HD11  ILE 828          HD11      ILE  18  -7.262  10.580  10.548
  120   HD12  ILE 828          HD12      ILE  18  -8.313   9.669  11.662
  121   HD13  ILE 828          HD13      ILE  18  -8.979  10.372  10.177
  122    H    GLU 829           H        GLU  19  -8.507   6.233   8.236
  123    HA   GLU 829           HA       GLU  19  -7.289   5.439   5.805
  124    HB2  GLU 829           HB2      GLU  19  -9.694   7.071   5.644
  125    HB3  GLU 829           HB3      GLU  19  -9.382   5.476   4.957
  126    HG2  GLU 829           HG2      GLU  19  -9.784   4.449   7.202
  127    HG3  GLU 829           HG3      GLU  19 -10.332   6.025   7.781
  128    HA   PRO 830           HA       PRO  20  -5.602   8.485   3.336
  129    HB2  PRO 830           HB2      PRO  20  -8.332   9.607   2.632
  130    HB3  PRO 830           HB3      PRO  20  -6.821   9.660   1.678
  131    HG2  PRO 830           HG2      PRO  20  -8.557   7.669   1.274
  132    HG3  PRO 830           HG3      PRO  20  -6.804   7.303   1.384
  133    HD2  PRO 830           HD2      PRO  20  -8.972   6.915   3.406
  134    HD3  PRO 830           HD3      PRO  20  -7.469   5.965   3.165
  135    H    ILE 831           H        ILE  21  -4.394   9.784   4.423
  136    HA   ILE 831           HA       ILE  21  -5.080  11.274   6.645
  137    HB   ILE 831           HB       ILE  21  -2.720  11.519   4.753
  138   HG12  ILE 831          HG12      ILE  21  -2.781  10.298   7.546
  139   HG13  ILE 831          HG13      ILE  21  -3.220   9.350   6.156
  140   HG21  ILE 831          HG21      ILE  21  -2.798  13.653   5.938
  141   HG22  ILE 831          HG22      ILE  21  -1.521  12.685   6.661
  142   HG23  ILE 831          HG23      ILE  21  -3.083  12.828   7.482
  143   HD11  ILE 831          HD11      ILE  21  -0.532  10.708   6.503
  144   HD12  ILE 831          HD12      ILE  21  -1.056   9.759   5.091
  145   HD13  ILE 831          HD13      ILE  21  -0.889   8.986   6.678
  146    H    GLN 832           H        GLN  22  -5.609  13.250   7.189
  147    HA   GLN 832           HA       GLN  22  -6.264  15.193   5.020
  148    HB2  GLN 832           HB2      GLN  22  -7.598  14.868   7.726
  149    HB3  GLN 832           HB3      GLN  22  -8.049  15.990   6.442
  150    HG2  GLN 832           HG2      GLN  22  -8.184  12.951   6.222
  151    HG3  GLN 832           HG3      GLN  22  -9.531  14.003   6.593
  152   HE21  GLN 832          HE21      GLN  22  -8.434  12.247   4.103
  153   HE22  GLN 832          HE22      GLN  22  -9.070  13.250   2.792
  154    H    GLY 833           H        GLY  23  -5.596  17.246   5.176
  155    HA2  GLY 833           HA2      GLY  23  -5.209  19.253   6.584
  156    HA3  GLY 833           HA3      GLY  23  -4.287  18.253   7.666
  157    H    VAL 834           H        VAL  24  -2.526  17.010   6.635
  158    HA   VAL 834           HA       VAL  24  -0.929  18.162   4.513
  159    HB   VAL 834           HB       VAL  24  -0.584  19.555   6.580
  160   HG11  VAL 834          HG11      VAL  24  -0.881  17.771   8.245
  161   HG12  VAL 834          HG12      VAL  24   0.570  18.765   8.497
  162   HG13  VAL 834          HG13      VAL  24   0.724  17.134   7.802
  163   HG21  VAL 834          HG21      VAL  24   1.894  19.503   6.603
  164   HG22  VAL 834          HG22      VAL  24   1.253  19.450   4.963
  165   HG23  VAL 834          HG23      VAL  24   1.869  17.966   5.730
  166    H    ARG 835           H        ARG  25   0.439  16.448   3.705
  167    HA   ARG 835           HA       ARG  25   0.093  13.792   5.043
  168    HB2  ARG 835           HB2      ARG  25   0.462  14.435   2.343
  169    HB3  ARG 835           HB3      ARG  25   2.075  13.981   2.853
  170    HG2  ARG 835           HG2      ARG  25   0.826  11.884   3.928
  171    HG3  ARG 835           HG3      ARG  25  -0.427  12.295   2.762
  172    HD2  ARG 835           HD2      ARG  25   2.493  11.628   2.242
  173    HD3  ARG 835           HD3      ARG  25   1.096  10.623   1.861
  174    HE   ARG 835           HE       ARG  25   0.463  12.640   0.283
  175   HH11  ARG 835          HH11      ARG  25   3.555  11.028   0.618
  176   HH12  ARG 835          HH12      ARG  25   4.159  11.649  -0.883
  177   HH21  ARG 835          HH21      ARG  25   1.271  13.326  -1.689
  178   HH22  ARG 835          HH22      ARG  25   2.878  12.886  -2.180
  179    H    TRP 836           H        TRP  26   2.024  12.528   5.647
  180    HA   TRP 836           HA       TRP  26   4.494  14.142   6.033
  181    HB2  TRP 836           HB2      TRP  26   3.307  12.467   8.250
  182    HB3  TRP 836           HB3      TRP  26   4.953  12.944   8.132
  183    HD1  TRP 836           HD1      TRP  26   1.612  14.581   8.873
  184    HE1  TRP 836           HE1      TRP  26   2.106  16.899   9.950
  185    HE3  TRP 836           HE3      TRP  26   6.548  14.951   7.750
  186    HZ2  TRP 836           HZ2      TRP  26   4.438  18.472  10.558
  187    HZ3  TRP 836           HZ3      TRP  26   7.949  16.749   8.701
  188    HH2  TRP 836           HH2      TRP  26   6.920  18.504  10.138
  189    H    HIS 837           H        HIS  27   5.512  13.254   4.419
  190    HA   HIS 837           HA       HIS  27   5.341  10.333   3.851
  191    HB2  HIS 837           HB2      HIS  27   5.004  12.030   2.060
  192    HB3  HIS 837           HB3      HIS  27   6.628  12.644   2.332
  193    HD2  HIS 837           HD2      HIS  27   8.651  11.304   1.268
  194    HE1  HIS 837           HE1      HIS  27   6.441   8.078  -0.433
  195    HE2  HIS 837           HE2      HIS  27   8.732   9.187  -0.300
  196    H    CYS 838           H        CYS  28   6.721   9.086   4.953
  197    HA   CYS 838           HA       CYS  28   9.097   9.852   6.235
  198    HB2  CYS 838           HB2      CYS  28   7.849   7.331   5.223
  199    HB3  CYS 838           HB3      CYS  28   9.572   7.302   5.643
  200    H    GLN 839           H        GLN  29  11.089  10.399   5.579
  201    HA   GLN 839           HA       GLN  29  11.624  10.582   2.733
  202    HB2  GLN 839           HB2      GLN  29  13.281  11.277   5.173
  203    HB3  GLN 839           HB3      GLN  29  13.814  11.601   3.538
  204    HG2  GLN 839           HG2      GLN  29  11.115  12.696   4.410
  205    HG3  GLN 839           HG3      GLN  29  12.586  13.488   4.920
  206   HE21  GLN 839          HE21      GLN  29  12.721  15.350   3.626
  207   HE22  GLN 839          HE22      GLN  29  12.573  15.303   1.879
  208    H    ASP 840           H        ASP  30  12.822   8.506   5.357
  209    HA   ASP 840           HA       ASP  30  14.936   7.374   3.577
  210    HB2  ASP 840           HB2      ASP  30  15.523   8.349   5.758
  211    HB3  ASP 840           HB3      ASP  30  14.473   7.193   6.559
  212    H    CYS 841           H        CYS  31  11.995   6.389   5.296
  213    HA   CYS 841           HA       CYS  31  12.380   3.587   5.079
  214    HB2  CYS 841           HB2      CYS  31   9.784   5.167   5.285
  215    HB3  CYS 841           HB3      CYS  31   9.978   3.435   5.491
  216    HA   PRO 842           HA       PRO  32  12.191   2.985   0.801
  217    HB2  PRO 842           HB2      PRO  32  11.578   0.360   0.455
  218    HB3  PRO 842           HB3      PRO  32  13.033   0.884   1.358
  219    HG2  PRO 842           HG2      PRO  32  10.336   0.055   2.479
  220    HG3  PRO 842           HG3      PRO  32  11.964  -0.495   2.984
  221    HD2  PRO 842           HD2      PRO  32  10.557   1.554   4.205
  222    HD3  PRO 842           HD3      PRO  32  12.332   1.430   4.215
  223    HA   PRO 843           HA       PRO  33   8.213   3.747  -0.998
  224    HB2  PRO 843           HB2      PRO  33   8.447   2.738  -3.561
  225    HB3  PRO 843           HB3      PRO  33   9.266   4.205  -2.960
  226    HG2  PRO 843           HG2      PRO  33  10.423   1.415  -3.138
  227    HG3  PRO 843           HG3      PRO  33  11.123   2.950  -3.753
  228    HD2  PRO 843           HD2      PRO  33  11.875   1.968  -1.366
  229    HD3  PRO 843           HD3      PRO  33  11.592   3.725  -1.557
  230    H    GLU 844           H        GLU  34   9.370   0.432  -1.205
  231    HA   GLU 844           HA       GLU  34   6.968  -0.969  -1.710
  232    HB2  GLU 844           HB2      GLU  34   9.193  -1.987  -1.681
  233    HB3  GLU 844           HB3      GLU  34   9.326  -1.732   0.067
  234    HG2  GLU 844           HG2      GLU  34   7.566  -3.339   0.505
  235    HG3  GLU 844           HG3      GLU  34   7.112  -3.388  -1.202
  236    H    MET 845           H        MET  35   8.134   0.417   1.326
  237    HA   MET 845           HA       MET  35   5.709  -0.455   2.826
  238    HB2  MET 845           HB2      MET  35   8.266   0.971   3.637
  239    HB3  MET 845           HB3      MET  35   6.896   0.789   4.721
  240    HG2  MET 845           HG2      MET  35   8.240  -1.569   3.378
  241    HG3  MET 845           HG3      MET  35   8.707  -0.942   4.949
  242    HE1  MET 845           HE1      MET  35   5.777  -1.854   7.321
  243    HE2  MET 845           HE2      MET  35   6.041  -0.272   6.561
  244    HE3  MET 845           HE3      MET  35   7.424  -1.206   7.182
  245    H    SER 846           H        SER  36   7.300   2.550   1.758
  246    HA   SER 846           HA       SER  36   6.754   4.742   1.917
  247    HB2  SER 846           HB2      SER  36   5.867   3.992  -0.241
  248    HB3  SER 846           HB3      SER  36   4.274   3.773   0.499
  249    HG   SER 846           HG       SER  36   4.602   5.870  -0.544
  250    H    LEU 847           H        LEU  37   6.695   4.940   4.107
  251    HA   LEU 847           HA       LEU  37   4.237   4.483   5.605
  252    HB2  LEU 847           HB2      LEU  37   7.082   5.190   6.324
  253    HB3  LEU 847           HB3      LEU  37   5.816   5.442   7.473
  254    HG   LEU 847           HG       LEU  37   5.567   2.754   6.216
  255   HD11  LEU 847          HD11      LEU  37   7.644   1.763   7.044
  256   HD12  LEU 847          HD12      LEU  37   8.260   3.426   7.309
  257   HD13  LEU 847          HD13      LEU  37   7.821   2.867   5.674
  258   HD21  LEU 847          HD21      LEU  37   5.094   3.730   8.777
  259   HD22  LEU 847          HD22      LEU  37   6.414   2.503   8.910
  260   HD23  LEU 847          HD23      LEU  37   4.907   2.091   8.144
  261    H    ASP 848           H        ASP  38   3.056   6.008   6.804
  262    HA   ASP 848           HA       ASP  38   3.511   8.841   6.183
  263    HB2  ASP 848           HB2      ASP  38   0.864   7.547   5.551
  264    HB3  ASP 848           HB3      ASP  38   1.273   9.261   5.468
  265    H    PHE 849           H        PHE  39   2.569  10.314   7.515
  266    HA   PHE 849           HA       PHE  39   0.947   9.351   9.812
  267    HB2  PHE 849           HB2      PHE  39   3.315  11.255  10.195
  268    HB3  PHE 849           HB3      PHE  39   2.209  10.642  11.367
  269    HD1  PHE 849           HD1      PHE  39   2.963   8.977  12.735
  270    HD2  PHE 849           HD2      PHE  39   4.745   9.331   8.810
  271    HE1  PHE 849           HE1      PHE  39   4.402   7.019  13.201
  272    HE2  PHE 849           HE2      PHE  39   6.175   7.466   9.291
  273    HZ   PHE 849           HZ       PHE  39   5.995   6.172  11.474
  274    H    CYS 850           H        CYS  40  -0.511  10.789  10.679
  275    HA   CYS 850           HA       CYS  40  -1.498  12.941   9.094
  276    HB2  CYS 850           HB2      CYS  40  -2.114  12.144  11.967
  277    HB3  CYS 850           HB3      CYS  40  -3.176  13.046  10.871
  278    H    ASP 851           H        ASP  41  -2.169  15.037  10.211
  279    HA   ASP 851           HA       ASP  41   0.029  16.668  10.951
  280    HB2  ASP 851           HB2      ASP  41  -1.561  18.351  11.361
  281    HB3  ASP 851           HB3      ASP  41  -2.148  17.443   9.986
  282    H    SER 852           H        SER  42  -2.147  14.730  12.963
  283    HA   SER 852           HA       SER  42  -1.169  15.861  15.462
  284    HB2  SER 852           HB2      SER  42  -3.537  15.289  15.179
  285    HB3  SER 852           HB3      SER  42  -3.108  13.593  14.908
  286    HG   SER 852           HG       SER  42  -3.730  14.039  17.104
  287    H    CYS 853           H        CYS  43  -0.956  12.659  13.797
  288    HA   CYS 853           HA       CYS  43   0.524  11.565  16.006
  289    HB2  CYS 853           HB2      CYS  43   0.005   9.502  15.099
  290    HB3  CYS 853           HB3      CYS  43  -1.381  10.541  14.768
  291    H    SER 854           H        SER  44   1.403  12.896  12.909
  292    HA   SER 854           HA       SER  44   4.045  11.766  12.712
  293    HB2  SER 854           HB2      SER  44   2.900  13.187  10.940
  294    HB3  SER 854           HB3      SER  44   3.312  14.594  11.922
  295    HG   SER 854           HG       SER  44   4.946  14.247  10.435
  296    H    ASP 855           H        ASP  45   2.729  13.695  15.176
  297    HA   ASP 855           HA       ASP  45   5.141  15.055  16.042
  298    HB2  ASP 855           HB2      ASP  45   2.764  15.677  16.701
  299    HB3  ASP 855           HB3      ASP  45   2.730  14.205  17.687
  300    H    CYS 856           H        CYS  46   4.283  11.785  15.832
  301    HA   CYS 856           HA       CYS  46   5.814  10.928  18.197
  302    HB2  CYS 856           HB2      CYS  46   3.666   9.818  17.797
  303    HB3  CYS 856           HB3      CYS  46   4.251   9.278  16.204
  304    HG   CYS 856           HG       CYS  46   4.339   7.221  17.736
  305    H    LEU 857           H        LEU  47   7.741  10.097  18.074
  306    HA   LEU 857           HA       LEU  47   9.157   9.892  15.463
  307    HB2  LEU 857           HB2      LEU  47  10.167  11.293  17.168
  308    HB3  LEU 857           HB3      LEU  47  10.203   9.964  18.323
  309    HG   LEU 857           HG       LEU  47  11.861   8.769  17.023
  310   HD11  LEU 857          HD11      LEU  47  11.210   9.121  14.745
  311   HD12  LEU 857          HD12      LEU  47  12.805   9.876  14.906
  312   HD13  LEU 857          HD13      LEU  47  11.362  10.894  14.899
  313   HD21  LEU 857          HD21      LEU  47  12.664  10.609  18.467
  314   HD22  LEU 857          HD22      LEU  47  12.543  11.742  17.102
  315   HD23  LEU 857          HD23      LEU  47  13.712  10.411  17.058
  316    H    HIS 858           H        HIS  48   8.187   8.056  14.708
  317    HA   HIS 858           HA       HIS  48   8.038   5.673  16.426
  318    HB2  HIS 858           HB2      HIS  48   5.991   6.657  15.386
  319    HB3  HIS 858           HB3      HIS  48   6.667   6.274  13.799
  320    HD2  HIS 858           HD2      HIS  48   5.657   4.118  12.842
  321    HE1  HIS 858           HE1      HIS  48   4.973   1.920  16.431
  322    HE2  HIS 858           HE2      HIS  48   4.722   1.885  13.901
  323    H    GLU 859           H        GLU  49   8.340   3.578  15.724
  324    HA   GLU 859           HA       GLU  49  10.160   3.128  13.485
  325    HB2  GLU 859           HB2      GLU  49  10.912   1.956  16.172
  326    HB3  GLU 859           HB3      GLU  49  11.857   2.086  14.739
  327    HG2  GLU 859           HG2      GLU  49  11.880   4.602  15.038
  328    HG3  GLU 859           HG3      GLU  49  11.057   4.367  16.567
  329    H    THR 860           H        THR  50  10.126   1.079  12.646
  330    HA   THR 860           HA       THR  50   8.502  -1.039  13.978
  331    HB   THR 860           HB       THR  50   7.429  -1.735  12.034
  332    HG1  THR 860           HG1      THR  50   7.856  -0.917  10.006
  333   HG21  THR 860          HG21      THR  50   6.181   0.241  11.154
  334   HG22  THR 860          HG22      THR  50   7.247   1.325  12.073
  335   HG23  THR 860          HG23      THR  50   6.230   0.163  12.923
  336    H    ASP 861           H        ASP  51   9.225  -2.794  11.590
  337    HA   ASP 861           HA       ASP  51  11.914  -3.584  12.382
  338    HB2  ASP 861           HB2      ASP  51  10.041  -4.621  10.306
  339    HB3  ASP 861           HB3      ASP  51  11.599  -5.334  10.674
  340    H    ILE 862           H        ILE  52  10.338  -1.827   9.825
  341    HA   ILE 862           HA       ILE  52  12.842  -1.399   8.338
  342    HB   ILE 862           HB       ILE  52   9.900  -0.924   7.724
  343   HG12  ILE 862          HG12      ILE  52  10.859  -3.160   7.201
  344   HG13  ILE 862          HG13      ILE  52  10.196  -2.331   5.827
  345   HG21  ILE 862          HG21      ILE  52  10.873   1.088   6.972
  346   HG22  ILE 862          HG22      ILE  52  10.682   0.022   5.568
  347   HG23  ILE 862          HG23      ILE  52  12.296   0.251   6.328
  348   HD11  ILE 862          HD11      ILE  52  12.474  -1.767   5.046
  349   HD12  ILE 862          HD12      ILE  52  12.275  -3.513   5.281
  350   HD13  ILE 862          HD13      ILE  52  13.162  -2.567   6.485
  351    H    HIS 863           H        HIS  53  10.118   0.252   9.938
  352    HA   HIS 863           HA       HIS  53  11.135   2.865   9.330
  353    HB2  HIS 863           HB2      HIS  53   8.977   2.774   9.213
  354    HB3  HIS 863           HB3      HIS  53   8.617   1.652  10.354
  355    HD1  HIS 863           HD1      HIS  53   6.618   3.440  10.672
  356    HD2  HIS 863           HD2      HIS  53  10.426   4.912  11.327
  357    HE1  HIS 863           HE1      HIS  53   6.908   5.405   9.127
  358    H    LYS 864           H        LYS  54  12.399   4.212  10.531
  359    HA   LYS 864           HA       LYS  54  12.970   3.507  13.357
  360    HB2  LYS 864           HB2      LYS  54  15.159   3.902  11.287
  361    HB3  LYS 864           HB3      LYS  54  15.347   3.655  12.998
  362    HG2  LYS 864           HG2      LYS  54  14.092   1.580  11.113
  363    HG3  LYS 864           HG3      LYS  54  15.749   1.570  11.602
  364    HD2  LYS 864           HD2      LYS  54  15.202   1.052  13.897
  365    HD3  LYS 864           HD3      LYS  54  13.537   1.347  13.636
  366    HE2  LYS 864           HE2      LYS  54  13.738  -0.983  13.594
  367    HE3  LYS 864           HE3      LYS  54  13.447  -0.498  11.930
  368    HZ1  LYS 864           HZ1      LYS  54  15.228  -2.151  12.074
  369    HZ2  LYS 864           HZ2      LYS  54  16.113  -1.219  13.080
  370    HZ3  LYS 864           HZ3      LYS  54  15.873  -0.760  11.523
  371    H    GLU 865           H        GLU  55  14.045   5.127  14.586
  372    HA   GLU 865           HA       GLU  55  13.267   7.804  13.913
  373    HB2  GLU 865           HB2      GLU  55  14.083   8.350  16.106
  374    HB3  GLU 865           HB3      GLU  55  13.262   6.798  16.203
  375    HG2  GLU 865           HG2      GLU  55  15.618   5.746  16.050
  376    HG3  GLU 865           HG3      GLU  55  16.267   7.366  16.192
  377    H    ASP 866           H        ASP  56  15.719   6.201  12.589
  378    HA   ASP 866           HA       ASP  56  18.012   7.830  12.960
  379    HB2  ASP 866           HB2      ASP  56  17.804   5.405  12.208
  380    HB3  ASP 866           HB3      ASP  56  17.416   6.071  10.629
  381    H    HIS 867           H        HIS  57  15.149   8.338  11.184
  382    HA   HIS 867           HA       HIS  57  16.404   9.907   9.017
  383    HB2  HIS 867           HB2      HIS  57  14.517   9.268   7.800
  384    HB3  HIS 867           HB3      HIS  57  15.226   7.879   8.566
  385    HD1  HIS 867           HD1      HIS  57  12.482  10.130  10.312
  386    HD2  HIS 867           HD2      HIS  57  13.254   6.446   8.488
  387    HE1  HIS 867           HE1      HIS  57  10.217   9.008  10.043
  388    H    GLN 868           H        GLN  58  14.004  10.955   8.155
  389    HA   GLN 868           HA       GLN  58  12.801  12.791  10.046
  390    HB2  GLN 868           HB2      GLN  58  13.263  14.816   8.679
  391    HB3  GLN 868           HB3      GLN  58  14.681  14.169   9.485
  392    HG2  GLN 868           HG2      GLN  58  14.072  13.540   6.564
  393    HG3  GLN 868           HG3      GLN  58  14.916  14.999   7.058
  394   HE21  GLN 868          HE21      GLN  58  16.983  14.606   8.450
  395   HE22  GLN 868          HE22      GLN  58  17.903  13.179   7.994
  396    H    LEU 869           H        LEU  59  10.902  13.894   9.109
  397    HA   LEU 869           HA       LEU  59   9.596  12.322   6.918
  398    HB2  LEU 869           HB2      LEU  59   8.343  14.039   9.092
  399    HB3  LEU 869           HB3      LEU  59   7.522  13.021   7.915
  400    HG   LEU 869           HG       LEU  59   7.326  12.104  10.044
  401   HD11  LEU 869          HD11      LEU  59   7.525  10.554   8.160
  402   HD12  LEU 869          HD12      LEU  59   8.062   9.834   9.671
  403   HD13  LEU 869          HD13      LEU  59   9.273  10.396   8.492
  404   HD21  LEU 869          HD21      LEU  59  10.297  11.665  10.374
  405   HD22  LEU 869          HD22      LEU  59   8.990  11.308  11.510
  406   HD23  LEU 869          HD23      LEU  59   9.384  12.993  11.142
  407    H    GLU 870           H        GLU  60   8.503  13.351   5.287
  408    HA   GLU 870           HA       GLU  60   9.126  16.241   4.891
  409    HB2  GLU 870           HB2      GLU  60   9.805  14.545   3.189
  410    HB3  GLU 870           HB3      GLU  60   8.120  14.151   2.962
  411    HG2  GLU 870           HG2      GLU  60   8.533  15.529   1.225
  412    HG3  GLU 870           HG3      GLU  60   7.796  16.654   2.361
  413    HA   PRO 871           HA       PRO  61   4.668  16.829   5.708
  414    HB2  PRO 871           HB2      PRO  61   4.622  19.533   5.914
  415    HB3  PRO 871           HB3      PRO  61   5.193  18.481   7.236
  416    HG2  PRO 871           HG2      PRO  61   6.848  20.004   5.216
  417    HG3  PRO 871           HG3      PRO  61   7.131  19.818   6.973
  418    HD2  PRO 871           HD2      PRO  61   8.373  18.304   4.995
  419    HD3  PRO 871           HD3      PRO  61   8.120  17.723   6.660
  420    H    ILE 872           H        ILE  62   3.022  17.159   4.158
  421    HA   ILE 872           HA       ILE  62   3.817  18.482   1.595
  422    HB   ILE 872           HB       ILE  62   1.948  16.156   1.731
  423   HG12  ILE 872          HG12      ILE  62   4.145  15.296   2.567
  424   HG13  ILE 872          HG13      ILE  62   3.623  14.564   1.074
  425   HG21  ILE 872          HG21      ILE  62   3.537  17.405  -0.559
  426   HG22  ILE 872          HG22      ILE  62   1.827  17.642  -0.235
  427   HG23  ILE 872          HG23      ILE  62   2.410  16.038  -0.697
  428   HD11  ILE 872          HD11      ILE  62   6.047  15.109   1.140
  429   HD12  ILE 872          HD12      ILE  62   5.627  16.839   1.173
  430   HD13  ILE 872          HD13      ILE  62   5.193  15.845  -0.231
  431    H    TYR 873           H        TYR  63   2.721  20.192   1.373
  432    HA   TYR 873           HA       TYR  63   0.320  20.726   2.958
  433    HB2  TYR 873           HB2      TYR  63   2.288  22.521   1.502
  434    HB3  TYR 873           HB3      TYR  63   0.907  23.112   2.400
  435    HD1  TYR 873           HD1      TYR  63   0.696  22.277   4.912
  436    HD2  TYR 873           HD2      TYR  63   4.367  22.305   2.638
  437    HE1  TYR 873           HE1      TYR  63   1.989  22.284   7.018
  438    HE2  TYR 873           HE2      TYR  63   5.667  22.303   4.765
  439    HH   TYR 873           HH       TYR  63   4.097  22.386   7.985
  440    H    ARG 874           H        ARG  64   0.473  19.295   0.281
  441    HA   ARG 874           HA       ARG  64  -1.817  20.496  -1.087
  442    HB2  ARG 874           HB2      ARG  64  -0.576  20.723  -3.217
  443    HB3  ARG 874           HB3      ARG  64   0.023  21.814  -1.965
  444    HG2  ARG 874           HG2      ARG  64   1.918  20.234  -1.515
  445    HG3  ARG 874           HG3      ARG  64   1.338  19.180  -2.805
  446    HD2  ARG 874           HD2      ARG  64   2.094  22.088  -3.141
  447    HD3  ARG 874           HD3      ARG  64   3.205  20.719  -3.406
  448    HE   ARG 874           HE       ARG  64   0.948  20.205  -4.995
  449   HH11  ARG 874          HH11      ARG  64   3.489  22.622  -4.959
  450   HH12  ARG 874          HH12      ARG  64   3.364  22.908  -6.673
  451   HH21  ARG 874          HH21      ARG  64   0.836  20.635  -7.173
  452   HH22  ARG 874          HH22      ARG  64   1.909  21.801  -7.887
  453    H1   ALA   1           H1       ALA  65   1.624   4.643   5.578
  454    H2   ALA   1           H2       ALA  65   0.225   5.249   4.948
  455    H3   ALA   1           H3       ALA  65   1.662   5.552   4.203
  456    HA   ALA   1           HA       ALA  65   1.961   3.271   3.704
  457    HB1  ALA   1           HB1      ALA  65  -0.807   2.888   4.890
  458    HB2  ALA   1           HB2      ALA  65   0.718   2.307   5.588
  459    HB3  ALA   1           HB3      ALA  65   0.156   1.659   4.043
  460    H    ARG   2           H        ARG  66   1.975   3.494   1.639
  461    HA   ARG   2           HA       ARG  66   0.100   4.742  -0.051
  462    HB2  ARG   2           HB2      ARG  66   1.249   3.762  -1.872
  463    HB3  ARG   2           HB3      ARG  66   2.431   4.140  -0.649
  464    HG2  ARG   2           HG2      ARG  66   1.416   1.410  -1.520
  465    HG3  ARG   2           HG3      ARG  66   3.045   2.052  -1.642
  466    HD2  ARG   2           HD2      ARG  66   3.325   1.942   0.788
  467    HD3  ARG   2           HD3      ARG  66   1.692   1.334   1.012
  468    HE   ARG   2           HE       ARG  66   4.028  -0.171   0.244
  469   HH11  ARG   2          HH11      ARG  66   3.925  -2.275   0.032
  470   HH12  ARG   2          HH12      ARG  66   2.406  -3.124  -0.180
  471   HH21  ARG   2          HH21      ARG  66   0.498  -0.221  -0.007
  472   HH22  ARG   2          HH22      ARG  66   0.485  -1.958  -0.186
  473    H    THR   3           H        THR  67  -1.863   4.341  -0.526
  474    HA   THR   3           HA       THR  67  -2.843   1.608  -1.211
  475    HB   THR   3           HB       THR  67  -5.054   2.223  -0.289
  476    HG1  THR   3           HG1      THR  67  -5.268   4.049   0.961
  477   HG21  THR   3          HG21      THR  67  -2.926   2.532   1.871
  478   HG22  THR   3          HG22      THR  67  -3.418   0.975   1.166
  479   HG23  THR   3          HG23      THR  67  -4.592   1.953   2.063
  480   HH31  ALY   4           H26      ALY  68  -3.705  13.341  -3.447
  481   HH32  ALY   4           H27      ALY  68  -3.561  11.800  -2.576
  482   HH33  ALY   4           H28      ALY  68  -4.895  12.045  -3.735
  483    HZ   ALY   4           HZ1      ALY  68  -3.601   9.855  -4.137
  484    HE3  ALY   4           HE3      ALY  68  -2.780   9.364  -6.601
  485    HE2  ALY   4           HE2      ALY  68  -1.361  10.277  -6.072
  486    HD3  ALY   4           HD3      ALY  68  -0.719   8.075  -5.683
  487    HD2  ALY   4           HD2      ALY  68  -1.237   8.626  -4.084
  488    HG3  ALY   4           HG3      ALY  68  -3.518   7.559  -4.601
  489    HG2  ALY   4           HG2      ALY  68  -2.781   6.889  -6.062
  490    HB3  ALY   4           HB3      ALY  68  -1.047   5.756  -4.590
  491    HB2  ALY   4           HB2      ALY  68  -1.875   6.416  -3.186
  492    HA   ALY   4           HA       ALY  68  -4.001   5.223  -4.088
  493    H    ALY   4           H        ALY  68  -1.718   4.034  -2.706
  494    H    GLN   5           H        GLN  69  -4.714   3.157  -4.997
  495    HA   GLN   5           HA       GLN  69  -3.269   1.639  -6.892
  496    HB2  GLN   5           HB2      GLN  69  -5.260   0.872  -5.705
  497    HB3  GLN   5           HB3      GLN  69  -6.270   2.042  -6.567
  498    HG2  GLN   5           HG2      GLN  69  -5.842   0.897  -8.696
  499    HG3  GLN   5           HG3      GLN  69  -4.686  -0.195  -7.921
  500   HE21  GLN   5          HE21      GLN  69  -6.428  -1.609  -9.227
  501   HE22  GLN   5          HE22      GLN  69  -7.723  -2.219  -8.201
  502    H    THR   6           H        THR  70  -2.904   1.756  -9.046
  503    HA   THR   6           HA       THR  70  -3.334   4.252 -10.470
  504    HB   THR   6           HB       THR  70  -2.170   3.048 -12.341
  505    HG1  THR   6           HG1      THR  70  -2.727   0.904 -11.879
  506   HG21  THR   6          HG21      THR  70   0.013   2.934 -11.257
  507   HG22  THR   6          HG22      THR  70  -0.746   2.880  -9.648
  508   HG23  THR   6          HG23      THR  70  -0.891   4.337 -10.657
  509    H    ALA   7           H        ALA  71  -4.299   4.499 -12.552
  510    HA   ALA   7           HA       ALA  71  -6.303   2.520 -13.440
  511    HB1  ALA   7           HB1      ALA  71  -8.101   4.212 -13.434
  512    HB2  ALA   7           HB2      ALA  71  -7.010   5.387 -12.662
  513    HB3  ALA   7           HB3      ALA  71  -7.508   3.918 -11.793
  514    H    ARG   8           H        ARG  72  -7.192   2.999 -15.550
  515    HA   ARG   8           HA       ARG  72  -5.835   4.959 -17.290
  516    HB2  ARG   8           HB2      ARG  72  -4.367   2.957 -17.265
  517    HB3  ARG   8           HB3      ARG  72  -5.714   1.964 -17.829
  518    HG2  ARG   8           HG2      ARG  72  -5.829   3.302 -19.922
  519    HG3  ARG   8           HG3      ARG  72  -4.511   4.338 -19.329
  520    HD2  ARG   8           HD2      ARG  72  -3.002   2.379 -19.261
  521    HD3  ARG   8           HD3      ARG  72  -4.322   1.344 -19.852
  522    HE   ARG   8           HE       ARG  72  -3.991   3.505 -21.673
  523   HH11  ARG   8          HH11      ARG  72  -2.206   0.648 -20.711
  524   HH12  ARG   8          HH12      ARG  72  -1.419   0.503 -22.258
  525   HH21  ARG   8          HH21      ARG  72  -2.955   3.265 -23.622
  526   HH22  ARG   8          HH22      ARG  72  -1.842   1.953 -23.863
  Start of MODEL   11
    1    H1   GLY 811           H1       GLY   1  -5.730  26.412  -1.717
    2    H2   GLY 811           H2       GLY   1  -6.097  25.065  -2.572
    3    H3   GLY 811           H3       GLY   1  -4.537  25.401  -2.216
    4    HA2  GLY 811           HA2      GLY   1  -6.636  24.692  -0.245
    5    HA3  GLY 811           HA3      GLY   1  -5.350  23.621  -0.802
    6    HA   PRO 812           HA       PRO   2  -3.773  27.121   2.258
    7    HB2  PRO 812           HB2      PRO   2  -5.660  26.213   4.429
    8    HB3  PRO 812           HB3      PRO   2  -4.968  27.839   4.146
    9    HG2  PRO 812           HG2      PRO   2  -7.505  27.306   3.385
   10    HG3  PRO 812           HG3      PRO   2  -6.418  28.200   2.270
   11    HD2  PRO 812           HD2      PRO   2  -7.121  25.256   2.224
   12    HD3  PRO 812           HD3      PRO   2  -7.080  26.435   0.883
   13    H    LEU 813           H        LEU   3  -2.237  26.842   3.894
   14    HA   LEU 813           HA       LEU   3  -0.882  24.369   3.838
   15    HB2  LEU 813           HB2      LEU   3  -0.540  26.882   5.520
   16    HB3  LEU 813           HB3      LEU   3   0.540  25.506   5.653
   17    HG   LEU 813           HG       LEU   3   1.183  25.726   3.269
   18   HD11  LEU 813          HD11      LEU   3   0.772  27.904   2.123
   19   HD12  LEU 813          HD12      LEU   3  -0.441  28.306   3.358
   20   HD13  LEU 813          HD13      LEU   3  -0.676  26.920   2.247
   21   HD21  LEU 813          HD21      LEU   3   1.535  28.209   4.988
   22   HD22  LEU 813          HD22      LEU   3   2.590  27.704   3.646
   23   HD23  LEU 813          HD23      LEU   3   2.483  26.715   5.112
   24    H    GLY 814           H        GLY   4  -3.277  25.431   6.130
   25    HA2  GLY 814           HA2      GLY   4  -2.568  23.380   8.157
   26    HA3  GLY 814           HA3      GLY   4  -3.787  24.640   8.297
   27    H    SER 815           H        SER   5  -4.278  23.120   5.317
   28    HA   SER 815           HA       SER   5  -6.174  21.114   6.330
   29    HB2  SER 815           HB2      SER   5  -8.012  22.117   5.074
   30    HB3  SER 815           HB3      SER   5  -7.437  23.154   6.395
   31    HG   SER 815           HG       SER   5  -7.776  24.338   4.456
   32    H    VAL 816           H        VAL   6  -3.684  21.100   4.666
   33    HA   VAL 816           HA       VAL   6  -4.134  20.757   1.925
   34    HB   VAL 816           HB       VAL   6  -2.075  19.506   3.807
   35   HG11  VAL 816          HG11      VAL   6  -1.998  18.461   1.695
   36   HG12  VAL 816          HG12      VAL   6  -0.594  19.529   1.890
   37   HG13  VAL 816          HG13      VAL   6  -1.958  20.048   0.862
   38   HG21  VAL 816          HG21      VAL   6  -1.821  22.107   2.230
   39   HG22  VAL 816          HG22      VAL   6  -0.667  21.391   3.390
   40   HG23  VAL 816          HG23      VAL   6  -2.171  22.043   3.969
   41    H    GLN 817           H        GLN   7  -5.031  19.229   0.745
   42    HA   GLN 817           HA       GLN   7  -5.749  16.628   1.989
   43    HB2  GLN 817           HB2      GLN   7  -7.210  16.423   0.011
   44    HB3  GLN 817           HB3      GLN   7  -7.588  17.772   1.076
   45    HG2  GLN 817           HG2      GLN   7  -7.559  19.217  -0.593
   46    HG3  GLN 817           HG3      GLN   7  -5.891  18.846  -0.951
   47   HE21  GLN 817          HE21      GLN   7  -5.480  16.901  -2.320
   48   HE22  GLN 817          HE22      GLN   7  -6.612  16.612  -3.655
   49    H    HIS 818           H        HIS   8  -4.526  14.850   1.616
   50    HA   HIS 818           HA       HIS   8  -2.924  14.754  -0.913
   51    HB2  HIS 818           HB2      HIS   8  -2.214  14.167   1.891
   52    HB3  HIS 818           HB3      HIS   8  -1.698  12.969   0.704
   53    HD2  HIS 818           HD2      HIS   8  -0.819  16.419   1.872
   54    HE1  HIS 818           HE1      HIS   8   1.029  16.097  -1.947
   55    HE2  HIS 818           HE2      HIS   8   0.787  17.558   0.097
   56    H    VAL 819           H        VAL   9  -4.999  14.215  -1.807
   57    HA   VAL 819           HA       VAL   9  -6.146  11.617  -1.759
   58    HB   VAL 819           HB       VAL   9  -5.868  13.640  -3.986
   59   HG11  VAL 819          HG11      VAL   9  -6.278  11.422  -4.985
   60   HG12  VAL 819          HG12      VAL   9  -7.739  12.415  -5.044
   61   HG13  VAL 819          HG13      VAL   9  -7.599  11.131  -3.820
   62   HG21  VAL 819          HG21      VAL   9  -8.259  14.056  -3.392
   63   HG22  VAL 819          HG22      VAL   9  -7.216  14.362  -2.003
   64   HG23  VAL 819          HG23      VAL   9  -8.144  12.854  -2.091
   65    H    GLY 820           H        GLY  10  -5.275   9.729  -2.043
   66    HA2  GLY 820           HA2      GLY  10  -3.978   8.115  -3.252
   67    HA3  GLY 820           HA3      GLY  10  -2.848   9.377  -3.724
   68    H    PHE 821           H        PHE  11  -3.197  10.087  -0.510
   69    HA   PHE 821           HA       PHE  11  -1.127   8.079   0.352
   70    HB2  PHE 821           HB2      PHE  11  -1.190  10.974   1.161
   71    HB3  PHE 821           HB3      PHE  11   0.040   9.769   1.489
   72    HD1  PHE 821           HD1      PHE  11  -1.580  11.605  -1.377
   73    HD2  PHE 821           HD2      PHE  11   2.016   9.999   0.352
   74    HE1  PHE 821           HE1      PHE  11  -0.257  12.716  -3.135
   75    HE2  PHE 821           HE2      PHE  11   3.341  10.997  -1.523
   76    HZ   PHE 821           HZ       PHE  11   2.203  12.439  -3.194
   77    H    LYS 822           H        LYS  12  -2.521   6.807   1.439
   78    HA   LYS 822           HA       LYS  12  -4.272   7.813   3.645
   79    HB2  LYS 822           HB2      LYS  12  -5.345   6.244   2.470
   80    HB3  LYS 822           HB3      LYS  12  -3.986   5.407   1.955
   81    HG2  LYS 822           HG2      LYS  12  -4.711   5.180   4.922
   82    HG3  LYS 822           HG3      LYS  12  -5.775   4.480   3.740
   83    HD2  LYS 822           HD2      LYS  12  -3.884   3.234   2.688
   84    HD3  LYS 822           HD3      LYS  12  -2.780   4.031   3.821
   85    HE2  LYS 822           HE2      LYS  12  -3.094   1.792   4.447
   86    HE3  LYS 822           HE3      LYS  12  -3.703   2.894   5.691
   87    HZ1  LYS 822           HZ1      LYS  12  -5.994   2.392   4.925
   88    HZ2  LYS 822           HZ2      LYS  12  -5.240   0.986   5.274
   89    HZ3  LYS 822           HZ3      LYS  12  -5.431   1.433   3.720
   90    H    CYS 823           H        CYS  13  -3.744   7.521   5.783
   91    HA   CYS 823           HA       CYS  13  -1.010   7.436   6.607
   92    HB2  CYS 823           HB2      CYS  13  -2.811   8.724   7.676
   93    HB3  CYS 823           HB3      CYS  13  -3.624   7.209   8.062
   94    H    ASP 824           H        ASP  14   0.046   6.033   7.872
   95    HA   ASP 824           HA       ASP  14  -0.592   3.111   7.697
   96    HB2  ASP 824           HB2      ASP  14   1.911   4.670   8.429
   97    HB3  ASP 824           HB3      ASP  14   1.745   2.942   8.693
   98    H    ASN 825           H        ASN  15  -0.187   5.696  10.073
   99    HA   ASN 825           HA       ASN  15  -0.017   4.000  12.388
  100    HB2  ASN 825           HB2      ASN  15   0.716   6.364  12.277
  101    HB3  ASN 825           HB3      ASN  15  -0.978   6.879  12.153
  102   HD21  ASN 825          HD21      ASN  15  -1.222   7.958  14.090
  103   HD22  ASN 825          HD22      ASN  15  -0.981   7.159  15.656
  104    H    CYS 826           H        CYS  16  -2.822   5.906  11.151
  105    HA   CYS 826           HA       CYS  16  -4.613   4.216  12.798
  106    HB2  CYS 826           HB2      CYS  16  -5.947   6.058  13.169
  107    HB3  CYS 826           HB3      CYS  16  -4.305   6.672  13.354
  108    H    GLY 827           H        GLY  17  -3.838   4.797   9.487
  109    HA2  GLY 827           HA2      GLY  17  -4.495   3.442   7.782
  110    HA3  GLY 827           HA3      GLY  17  -5.860   2.864   8.708
  111    H    ILE 828           H        ILE  18  -5.852   6.220   8.928
  112    HA   ILE 828           HA       ILE  18  -8.211   6.528   7.476
  113    HB   ILE 828           HB       ILE  18  -7.585   7.993   9.304
  114   HG12  ILE 828          HG12      ILE  18  -7.833   9.653   6.771
  115   HG13  ILE 828          HG13      ILE  18  -9.166   8.756   7.448
  116   HG21  ILE 828          HG21      ILE  18  -5.933   9.752   9.073
  117   HG22  ILE 828          HG22      ILE  18  -5.489   9.226   7.436
  118   HG23  ILE 828          HG23      ILE  18  -5.137   8.219   8.833
  119   HD11  ILE 828          HD11      ILE  18  -9.375  11.028   8.152
  120   HD12  ILE 828          HD12      ILE  18  -7.722  11.062   8.787
  121   HD13  ILE 828          HD13      ILE  18  -8.958  10.047   9.572
  122    H    GLU 829           H        GLU  19  -8.738   7.261   5.565
  123    HA   GLU 829           HA       GLU  19  -7.113   6.777   3.293
  124    HB2  GLU 829           HB2      GLU  19  -9.543   8.488   3.448
  125    HB3  GLU 829           HB3      GLU  19  -9.012   7.576   2.068
  126    HG2  GLU 829           HG2      GLU  19 -10.588   6.111   2.576
  127    HG3  GLU 829           HG3      GLU  19  -9.430   5.484   3.732
  128    HA   PRO 830           HA       PRO  20  -4.858  10.258   1.695
  129    HB2  PRO 830           HB2      PRO  20  -7.636  11.369   1.223
  130    HB3  PRO 830           HB3      PRO  20  -6.153  11.472   0.235
  131    HG2  PRO 830           HG2      PRO  20  -8.177   9.491   0.186
  132    HG3  PRO 830           HG3      PRO  20  -6.669   9.459  -0.776
  133    HD2  PRO 830           HD2      PRO  20  -7.126   7.607   1.175
  134    HD3  PRO 830           HD3      PRO  20  -5.507   8.222   0.790
  135    H    ILE 831           H        ILE  21  -3.820  10.924   3.450
  136    HA   ILE 831           HA       ILE  21  -4.740  12.098   5.753
  137    HB   ILE 831           HB       ILE  21  -2.108  12.452   4.282
  138   HG12  ILE 831          HG12      ILE  21  -2.655  10.786   6.778
  139   HG13  ILE 831          HG13      ILE  21  -2.969  10.134   5.202
  140   HG21  ILE 831          HG21      ILE  21  -2.208  14.358   5.793
  141   HG22  ILE 831          HG22      ILE  21  -1.140  13.170   6.521
  142   HG23  ILE 831          HG23      ILE  21  -2.796  13.331   7.118
  143   HD11  ILE 831          HD11      ILE  21  -0.743   9.494   5.975
  144   HD12  ILE 831          HD12      ILE  21  -0.255  11.190   6.050
  145   HD13  ILE 831          HD13      ILE  21  -0.671  10.457   4.486
  146    H    GLN 832           H        GLN  22  -5.214  13.993   6.592
  147    HA   GLN 832           HA       GLN  22  -5.536  16.292   4.713
  148    HB2  GLN 832           HB2      GLN  22  -7.206  15.587   7.142
  149    HB3  GLN 832           HB3      GLN  22  -7.445  16.952   6.047
  150    HG2  GLN 832           HG2      GLN  22  -7.636  14.030   5.194
  151    HG3  GLN 832           HG3      GLN  22  -8.993  15.022   5.665
  152   HE21  GLN 832          HE21      GLN  22  -7.653  13.829   2.947
  153   HE22  GLN 832          HE22      GLN  22  -8.203  15.105   1.854
  154    H    GLY 833           H        GLY  23  -4.796  18.229   5.242
  155    HA2  GLY 833           HA2      GLY  23  -4.408  19.995   6.914
  156    HA3  GLY 833           HA3      GLY  23  -3.750  18.812   7.974
  157    H    VAL 834           H        VAL  24  -1.918  17.521   7.056
  158    HA   VAL 834           HA       VAL  24   0.010  18.807   5.305
  159    HB   VAL 834           HB       VAL  24   0.151  19.898   7.554
  160   HG11  VAL 834          HG11      VAL  24   1.015  18.781   9.481
  161   HG12  VAL 834          HG12      VAL  24   1.132  17.245   8.595
  162   HG13  VAL 834          HG13      VAL  24  -0.464  17.972   8.935
  163   HG21  VAL 834          HG21      VAL  24   2.178  19.879   6.203
  164   HG22  VAL 834          HG22      VAL  24   2.606  18.253   6.801
  165   HG23  VAL 834          HG23      VAL  24   2.609  19.648   7.889
  166    H    ARG 835           H        ARG  25   1.328  17.112   4.407
  167    HA   ARG 835           HA       ARG  25   0.686  14.357   5.396
  168    HB2  ARG 835           HB2      ARG  25   0.889  14.958   2.876
  169    HB3  ARG 835           HB3      ARG  25   2.637  14.912   3.142
  170    HG2  ARG 835           HG2      ARG  25   2.419  12.558   3.979
  171    HG3  ARG 835           HG3      ARG  25   0.665  12.676   3.784
  172    HD2  ARG 835           HD2      ARG  25   1.387  11.482   1.970
  173    HD3  ARG 835           HD3      ARG  25   1.076  13.073   1.298
  174    HE   ARG 835           HE       ARG  25   3.719  11.759   1.848
  175   HH11  ARG 835          HH11      ARG  25   1.986  14.190  -0.004
  176   HH12  ARG 835          HH12      ARG  25   3.382  14.591  -0.956
  177   HH21  ARG 835          HH21      ARG  25   5.459  12.249   0.434
  178   HH22  ARG 835          HH22      ARG  25   5.265  13.543  -0.698
  179    H    TRP 836           H        TRP  26   2.399  12.902   5.981
  180    HA   TRP 836           HA       TRP  26   4.942  14.210   6.835
  181    HB2  TRP 836           HB2      TRP  26   3.281  12.417   8.613
  182    HB3  TRP 836           HB3      TRP  26   4.966  12.683   8.813
  183    HD1  TRP 836           HD1      TRP  26   1.748  14.633   9.291
  184    HE1  TRP 836           HE1      TRP  26   2.318  16.748  10.713
  185    HE3  TRP 836           HE3      TRP  26   6.801  14.612   8.831
  186    HZ2  TRP 836           HZ2      TRP  26   4.673  17.960  11.812
  187    HZ3  TRP 836           HZ3      TRP  26   8.225  16.116  10.161
  188    HH2  TRP 836           HH2      TRP  26   7.178  17.794  11.696
  189    H    HIS 837           H        HIS  27   6.018  13.464   5.184
  190    HA   HIS 837           HA       HIS  27   5.765  10.668   4.174
  191    HB2  HIS 837           HB2      HIS  27   5.713  12.587   2.636
  192    HB3  HIS 837           HB3      HIS  27   7.213  13.203   3.272
  193    HD2  HIS 837           HD2      HIS  27   9.501  11.958   2.610
  194    HE1  HIS 837           HE1      HIS  27   7.886   9.871  -0.735
  195    HE2  HIS 837           HE2      HIS  27  10.027  10.578   0.422
  196    H    CYS 838           H        CYS  28   6.944   9.142   5.130
  197    HA   CYS 838           HA       CYS  28   9.112   9.590   6.845
  198    HB2  CYS 838           HB2      CYS  28   7.955   7.249   5.371
  199    HB3  CYS 838           HB3      CYS  28   9.569   7.107   6.082
  200    H    GLN 839           H        GLN  29  11.249   9.908   6.652
  201    HA   GLN 839           HA       GLN  29  12.324  10.474   4.013
  202    HB2  GLN 839           HB2      GLN  29  13.626  10.489   6.751
  203    HB3  GLN 839           HB3      GLN  29  14.416  11.052   5.298
  204    HG2  GLN 839           HG2      GLN  29  11.802  12.291   6.262
  205    HG3  GLN 839           HG3      GLN  29  13.374  12.813   6.832
  206   HE21  GLN 839          HE21      GLN  29  13.266  14.923   5.968
  207   HE22  GLN 839          HE22      GLN  29  13.111  15.222   4.242
  208    H    ASP 840           H        ASP  30  12.863   7.929   6.457
  209    HA   ASP 840           HA       ASP  30  15.094   6.805   4.861
  210    HB2  ASP 840           HB2      ASP  30  15.326   7.237   7.263
  211    HB3  ASP 840           HB3      ASP  30  14.010   6.112   7.597
  212    H    CYS 841           H        CYS  31  11.777   5.891   5.856
  213    HA   CYS 841           HA       CYS  31  11.958   3.188   5.067
  214    HB2  CYS 841           HB2      CYS  31   9.483   4.933   5.142
  215    HB3  CYS 841           HB3      CYS  31   9.528   3.189   5.063
  216    HA   PRO 842           HA       PRO  32  12.544   3.733   0.798
  217    HB2  PRO 842           HB2      PRO  32  12.237   1.220  -0.223
  218    HB3  PRO 842           HB3      PRO  32  13.510   1.632   0.968
  219    HG2  PRO 842           HG2      PRO  32  10.782   0.410   1.503
  220    HG3  PRO 842           HG3      PRO  32  12.380  -0.167   2.073
  221    HD2  PRO 842           HD2      PRO  32  10.752   1.418   3.609
  222    HD3  PRO 842           HD3      PRO  32  12.527   1.535   3.691
  223    HA   PRO 843           HA       PRO  33   8.906   4.635  -1.571
  224    HB2  PRO 843           HB2      PRO  33  10.303   3.234  -3.870
  225    HB3  PRO 843           HB3      PRO  33   9.423   4.793  -3.866
  226    HG2  PRO 843           HG2      PRO  33  12.117   4.794  -3.737
  227    HG3  PRO 843           HG3      PRO  33  11.196   5.857  -2.617
  228    HD2  PRO 843           HD2      PRO  33  12.412   3.139  -2.058
  229    HD3  PRO 843           HD3      PRO  33  12.470   4.639  -1.082
  230    H    GLU 844           H        GLU  34  10.081   1.290  -1.930
  231    HA   GLU 844           HA       GLU  34   7.734   0.066  -2.922
  232    HB2  GLU 844           HB2      GLU  34   9.971  -0.944  -2.818
  233    HB3  GLU 844           HB3      GLU  34   9.871  -1.038  -1.050
  234    HG2  GLU 844           HG2      GLU  34   7.991  -2.607  -1.205
  235    HG3  GLU 844           HG3      GLU  34   7.957  -2.447  -2.959
  236    H    MET 845           H        MET  35   8.536   1.050   0.356
  237    HA   MET 845           HA       MET  35   6.067  -0.162   1.500
  238    HB2  MET 845           HB2      MET  35   8.415   1.249   2.816
  239    HB3  MET 845           HB3      MET  35   7.021   0.567   3.661
  240    HG2  MET 845           HG2      MET  35   8.951  -1.031   1.945
  241    HG3  MET 845           HG3      MET  35   9.024  -0.906   3.691
  242    HE1  MET 845           HE1      MET  35   6.032  -3.005   4.967
  243    HE2  MET 845           HE2      MET  35   6.105  -1.239   4.820
  244    HE3  MET 845           HE3      MET  35   7.533  -2.151   5.383
  245    H    SER 846           H        SER  36   7.623   3.028   1.106
  246    HA   SER 846           HA       SER  36   6.938   5.168   1.404
  247    HB2  SER 846           HB2      SER  36   4.718   3.919  -0.234
  248    HB3  SER 846           HB3      SER  36   4.785   5.652   0.122
  249    HG   SER 846           HG       SER  36   6.553   4.107  -1.418
  250    H    LEU 847           H        LEU  37   6.772   5.219   3.693
  251    HA   LEU 847           HA       LEU  37   4.106   4.813   4.860
  252    HB2  LEU 847           HB2      LEU  37   6.868   4.983   6.043
  253    HB3  LEU 847           HB3      LEU  37   5.489   5.289   7.056
  254    HG   LEU 847           HG       LEU  37   4.750   2.948   5.578
  255   HD11  LEU 847          HD11      LEU  37   7.646   2.746   6.298
  256   HD12  LEU 847          HD12      LEU  37   6.940   2.756   4.665
  257   HD13  LEU 847          HD13      LEU  37   6.590   1.410   5.784
  258   HD21  LEU 847          HD21      LEU  37   4.720   3.493   8.211
  259   HD22  LEU 847          HD22      LEU  37   5.987   2.238   8.091
  260   HD23  LEU 847          HD23      LEU  37   4.394   1.925   7.460
  261    H    ASP 848           H        ASP  38   2.915   6.246   6.036
  262    HA   ASP 848           HA       ASP  38   3.611   9.090   5.873
  263    HB2  ASP 848           HB2      ASP  38   1.030   8.085   4.678
  264    HB3  ASP 848           HB3      ASP  38   1.580   9.750   4.803
  265    H    PHE 849           H        PHE  39   2.503  10.417   7.287
  266    HA   PHE 849           HA       PHE  39   0.479   9.178   9.077
  267    HB2  PHE 849           HB2      PHE  39   2.801  10.814  10.204
  268    HB3  PHE 849           HB3      PHE  39   1.532   9.974  11.017
  269    HD1  PHE 849           HD1      PHE  39   4.401   9.111   8.602
  270    HD2  PHE 849           HD2      PHE  39   2.025   8.015  12.041
  271    HE1  PHE 849           HE1      PHE  39   5.516   6.991   8.710
  272    HE2  PHE 849           HE2      PHE  39   3.204   5.842  12.146
  273    HZ   PHE 849           HZ       PHE  39   4.918   5.262  10.432
  274    H    CYS 850           H        CYS  40  -1.067  10.508   9.972
  275    HA   CYS 850           HA       CYS  40  -1.593  13.073   8.924
  276    HB2  CYS 850           HB2      CYS  40  -2.487  11.794  11.544
  277    HB3  CYS 850           HB3      CYS  40  -3.325  13.096  10.694
  278    H    ASP 851           H        ASP  41  -1.999  15.010  10.400
  279    HA   ASP 851           HA       ASP  41   0.374  16.144  11.357
  280    HB2  ASP 851           HB2      ASP  41  -0.932  17.977  11.981
  281    HB3  ASP 851           HB3      ASP  41  -1.738  17.301  10.583
  282    H    SER 852           H        SER  42  -2.016  14.278  13.131
  283    HA   SER 852           HA       SER  42  -0.695  14.652  15.726
  284    HB2  SER 852           HB2      SER  42  -3.153  14.582  15.585
  285    HB3  SER 852           HB3      SER  42  -3.060  12.941  14.906
  286    HG   SER 852           HG       SER  42  -3.449  12.968  17.201
  287    H    CYS 853           H        CYS  43  -1.093  12.088  13.254
  288    HA   CYS 853           HA       CYS  43  -0.163   9.934  14.839
  289    HB2  CYS 853           HB2      CYS  43  -0.570  10.453  11.903
  290    HB3  CYS 853           HB3      CYS  43  -0.068   8.892  12.533
  291    H    SER 854           H        SER  44   1.429  12.273  12.771
  292    HA   SER 854           HA       SER  44   3.956  11.006  12.336
  293    HB2  SER 854           HB2      SER  44   4.670  13.258  11.774
  294    HB3  SER 854           HB3      SER  44   3.023  13.012  11.189
  295    HG   SER 854           HG       SER  44   3.250  15.019  12.290
  296    H    ASP 855           H        ASP  45   2.578  12.417  15.181
  297    HA   ASP 855           HA       ASP  45   5.152  12.469  16.619
  298    HB2  ASP 855           HB2      ASP  45   3.514  14.410  16.760
  299    HB3  ASP 855           HB3      ASP  45   2.415  13.324  17.614
  300    H    CYS 856           H        CYS  46   2.709  10.276  15.887
  301    HA   CYS 856           HA       CYS  46   2.462   9.029  18.498
  302    HB2  CYS 856           HB2      CYS  46   0.675   9.179  16.640
  303    HB3  CYS 856           HB3      CYS  46   1.587   7.902  15.819
  304    HG   CYS 856           HG       CYS  46   0.186   7.899  18.840
  305    H    LEU 857           H        LEU  47   4.515   8.643  15.742
  306    HA   LEU 857           HA       LEU  47   6.337   7.443  15.300
  307    HB2  LEU 857           HB2      LEU  47   6.880   8.825  17.288
  308    HB3  LEU 857           HB3      LEU  47   6.612   7.433  18.326
  309    HG   LEU 857           HG       LEU  47   8.518   6.260  17.411
  310   HD11  LEU 857          HD11      LEU  47   8.573   8.491  15.337
  311   HD12  LEU 857          HD12      LEU  47   8.467   6.726  15.066
  312   HD13  LEU 857          HD13      LEU  47   9.969   7.460  15.656
  313   HD21  LEU 857          HD21      LEU  47  10.317   7.833  18.001
  314   HD22  LEU 857          HD22      LEU  47   8.946   8.025  19.099
  315   HD23  LEU 857          HD23      LEU  47   9.207   9.205  17.793
  316    H    HIS 858           H        HIS  48   5.133   5.752  14.390
  317    HA   HIS 858           HA       HIS  48   5.017   3.189  15.893
  318    HB2  HIS 858           HB2      HIS  48   2.901   4.080  14.866
  319    HB3  HIS 858           HB3      HIS  48   3.666   3.983  13.283
  320    HD2  HIS 858           HD2      HIS  48   2.849   1.932  11.987
  321    HE1  HIS 858           HE1      HIS  48   2.492  -0.886  15.169
  322    HE2  HIS 858           HE2      HIS  48   2.225  -0.539  12.661
  323    H    GLU 859           H        GLU  49   5.582   1.208  14.582
  324    HA   GLU 859           HA       GLU  49   7.715   1.661  12.609
  325    HB2  GLU 859           HB2      GLU  49   8.147  -0.127  15.045
  326    HB3  GLU 859           HB3      GLU  49   9.323   0.324  13.851
  327    HG2  GLU 859           HG2      GLU  49   9.207   2.700  14.657
  328    HG3  GLU 859           HG3      GLU  49   8.055   2.177  15.878
  329    H    THR 860           H        THR  50   8.322  -0.205  11.338
  330    HA   THR 860           HA       THR  50   6.418  -2.520  11.599
  331    HB   THR 860           HB       THR  50   5.922  -2.601   9.343
  332    HG1  THR 860           HG1      THR  50   6.923  -1.281   7.801
  333   HG21  THR 860          HG21      THR  50   4.886  -0.466   8.757
  334   HG22  THR 860          HG22      THR  50   5.815   0.391  10.002
  335   HG23  THR 860          HG23      THR  50   4.636  -0.820  10.483
  336    H    ASP 861           H        ASP  51   7.641  -3.753   9.237
  337    HA   ASP 861           HA       ASP  51   9.887  -5.124  10.481
  338    HB2  ASP 861           HB2      ASP  51   8.633  -5.338   7.780
  339    HB3  ASP 861           HB3      ASP  51   9.916  -6.381   8.370
  340    H    ILE 862           H        ILE  52   9.375  -2.543   8.236
  341    HA   ILE 862           HA       ILE  52  12.274  -2.275   7.741
  342    HB   ILE 862           HB       ILE  52   9.925  -1.525   6.026
  343   HG12  ILE 862          HG12      ILE  52  12.364  -3.368   5.833
  344   HG13  ILE 862          HG13      ILE  52  10.684  -3.873   5.984
  345   HG21  ILE 862          HG21      ILE  52  11.351   0.400   5.961
  346   HG22  ILE 862          HG22      ILE  52  11.781  -0.566   4.541
  347   HG23  ILE 862          HG23      ILE  52  12.816  -0.604   5.987
  348   HD11  ILE 862          HD11      ILE  52  10.184  -2.877   3.803
  349   HD12  ILE 862          HD12      ILE  52  11.358  -4.210   3.745
  350   HD13  ILE 862          HD13      ILE  52  11.933  -2.538   3.593
  351    H    HIS 863           H        HIS  53   9.241  -0.566   8.595
  352    HA   HIS 863           HA       HIS  53  10.576   1.989   8.841
  353    HB2  HIS 863           HB2      HIS  53   8.355   2.181   8.285
  354    HB3  HIS 863           HB3      HIS  53   7.809   0.896   9.237
  355    HD1  HIS 863           HD1      HIS  53   9.532   3.124  11.739
  356    HD2  HIS 863           HD2      HIS  53   6.295   3.489  10.706
  357    HE1  HIS 863           HE1      HIS  53   9.208   5.504  11.188
  358    H    LYS 864           H        LYS  54  11.637   2.750  10.504
  359    HA   LYS 864           HA       LYS  54  10.964   1.699  13.208
  360    HB2  LYS 864           HB2      LYS  54  13.782   2.120  12.144
  361    HB3  LYS 864           HB3      LYS  54  13.300   1.631  13.746
  362    HG2  LYS 864           HG2      LYS  54  12.743  -0.040  11.198
  363    HG3  LYS 864           HG3      LYS  54  14.103  -0.272  12.226
  364    HD2  LYS 864           HD2      LYS  54  12.641  -0.912  14.134
  365    HD3  LYS 864           HD3      LYS  54  11.247  -0.630  13.178
  366    HE2  LYS 864           HE2      LYS  54  11.494  -2.902  12.957
  367    HE3  LYS 864           HE3      LYS  54  12.144  -2.292  11.448
  368    HZ1  LYS 864           HZ1      LYS  54  14.406  -2.587  12.390
  369    HZ2  LYS 864           HZ2      LYS  54  13.596  -4.000  12.439
  370    HZ3  LYS 864           HZ3      LYS  54  13.783  -3.131  13.806
  371    H    GLU 865           H        GLU  55  11.649   3.049  15.007
  372    HA   GLU 865           HA       GLU  55  11.171   5.845  14.544
  373    HB2  GLU 865           HB2      GLU  55  11.334   6.059  16.912
  374    HB3  GLU 865           HB3      GLU  55  10.424   4.607  16.535
  375    HG2  GLU 865           HG2      GLU  55  12.573   3.296  16.977
  376    HG3  GLU 865           HG3      GLU  55  13.340   4.802  17.453
  377    H    ASP 866           H        ASP  56  13.891   4.232  13.815
  378    HA   ASP 866           HA       ASP  56  16.039   5.728  14.943
  379    HB2  ASP 866           HB2      ASP  56  15.782   3.982  12.535
  380    HB3  ASP 866           HB3      ASP  56  17.307   4.650  13.069
  381    H    HIS 867           H        HIS  57  13.754   6.475  12.443
  382    HA   HIS 867           HA       HIS  57  15.645   8.098  10.895
  383    HB2  HIS 867           HB2      HIS  57  14.091   7.938   9.190
  384    HB3  HIS 867           HB3      HIS  57  14.419   6.360   9.848
  385    HD1  HIS 867           HD1      HIS  57  11.587   8.834  11.028
  386    HD2  HIS 867           HD2      HIS  57  12.378   5.148   9.215
  387    HE1  HIS 867           HE1      HIS  57   9.359   8.027  10.109
  388    H    GLN 868           H        GLN  58  13.670   9.620   9.675
  389    HA   GLN 868           HA       GLN  58  12.424  11.465  11.556
  390    HB2  GLN 868           HB2      GLN  58  13.442  13.463  10.407
  391    HB3  GLN 868           HB3      GLN  58  14.493  12.585  11.498
  392    HG2  GLN 868           HG2      GLN  58  14.580  11.994   8.516
  393    HG3  GLN 868           HG3      GLN  58  15.391  13.407   9.173
  394   HE21  GLN 868          HE21      GLN  58  16.997  12.933  11.050
  395   HE22  GLN 868          HE22      GLN  58  17.892  11.427  10.866
  396    H    LEU 869           H        LEU  59  10.866  12.899  10.526
  397    HA   LEU 869           HA       LEU  59   9.751  11.835   7.958
  398    HB2  LEU 869           HB2      LEU  59   8.386  13.396  10.184
  399    HB3  LEU 869           HB3      LEU  59   7.643  12.676   8.753
  400    HG   LEU 869           HG       LEU  59   6.989  11.523  10.663
  401   HD11  LEU 869          HD11      LEU  59   7.475   9.243   9.974
  402   HD12  LEU 869          HD12      LEU  59   8.898   9.821   9.061
  403   HD13  LEU 869          HD13      LEU  59   7.251  10.275   8.568
  404   HD21  LEU 869          HD21      LEU  59   9.794  10.591  11.282
  405   HD22  LEU 869          HD22      LEU  59   8.302  10.238  12.152
  406   HD23  LEU 869          HD23      LEU  59   8.942  11.889  12.160
  407    H    GLU 870           H        GLU  60   8.907  13.199   6.413
  408    HA   GLU 870           HA       GLU  60   9.860  16.027   6.451
  409    HB2  GLU 870           HB2      GLU  60  10.522  14.405   4.625
  410    HB3  GLU 870           HB3      GLU  60   8.843  14.338   4.162
  411    HG2  GLU 870           HG2      GLU  60   9.738  15.852   2.708
  412    HG3  GLU 870           HG3      GLU  60   8.964  16.905   3.890
  413    HA   PRO 871           HA       PRO  61   5.370  16.900   6.919
  414    HB2  PRO 871           HB2      PRO  61   5.506  19.541   7.536
  415    HB3  PRO 871           HB3      PRO  61   5.854  18.256   8.718
  416    HG2  PRO 871           HG2      PRO  61   7.823  19.903   7.129
  417    HG3  PRO 871           HG3      PRO  61   7.899  19.438   8.855
  418    HD2  PRO 871           HD2      PRO  61   9.241  18.129   6.817
  419    HD3  PRO 871           HD3      PRO  61   8.753  17.326   8.329
  420    H    ILE 872           H        ILE  62   3.925  17.625   5.289
  421    HA   ILE 872           HA       ILE  62   5.092  19.249   3.065
  422    HB   ILE 872           HB       ILE  62   3.062  17.100   2.621
  423   HG12  ILE 872          HG12      ILE  62   5.035  15.904   3.582
  424   HG13  ILE 872          HG13      ILE  62   4.655  15.452   1.948
  425   HG21  ILE 872          HG21      ILE  62   5.054  18.481   0.763
  426   HG22  ILE 872          HG22      ILE  62   3.356  18.885   0.923
  427   HG23  ILE 872          HG23      ILE  62   3.816  17.300   0.281
  428   HD11  ILE 872          HD11      ILE  62   7.095  15.703   2.398
  429   HD12  ILE 872          HD12      ILE  62   6.834  17.452   2.610
  430   HD13  ILE 872          HD13      ILE  62   6.516  16.688   1.042
  431    H    TYR 873           H        TYR  63   4.147  21.059   3.025
  432    HA   TYR 873           HA       TYR  63   1.547  21.506   4.295
  433    HB2  TYR 873           HB2      TYR  63   3.792  23.402   3.524
  434    HB3  TYR 873           HB3      TYR  63   2.285  23.887   4.277
  435    HD1  TYR 873           HD1      TYR  63   5.613  22.651   4.921
  436    HD2  TYR 873           HD2      TYR  63   1.618  22.897   6.535
  437    HE1  TYR 873           HE1      TYR  63   6.508  22.237   7.209
  438    HE2  TYR 873           HE2      TYR  63   2.512  22.472   8.815
  439    HH   TYR 873           HH       TYR  63   6.020  22.132   9.467
  440    H    ARG 874           H        ARG  64   2.076  20.477   1.479
  441    HA   ARG 874           HA       ARG  64   0.026  22.022   0.089
  442    HB2  ARG 874           HB2      ARG  64   1.448  22.422  -1.895
  443    HB3  ARG 874           HB3      ARG  64   1.929  23.339  -0.461
  444    HG2  ARG 874           HG2      ARG  64   3.838  21.869  -0.073
  445    HG3  ARG 874           HG3      ARG  64   3.312  20.778  -1.372
  446    HD2  ARG 874           HD2      ARG  64   3.558  22.578  -3.010
  447    HD3  ARG 874           HD3      ARG  64   4.063  23.695  -1.719
  448    HE   ARG 874           HE       ARG  64   5.769  21.394  -1.704
  449   HH11  ARG 874          HH11      ARG  64   5.220  24.219  -3.707
  450   HH12  ARG 874          HH12      ARG  64   6.858  24.226  -4.305
  451   HH21  ARG 874          HH21      ARG  64   7.836  21.458  -2.512
  452   HH22  ARG 874          HH22      ARG  64   8.296  22.693  -3.650
  453    H1   ALA   1           H1       ALA  65   0.220   5.608   3.600
  454    H2   ALA   1           H2       ALA  65   1.728   5.893   3.017
  455    H3   ALA   1           H3       ALA  65   1.510   4.765   4.188
  456    HA   ALA   1           HA       ALA  65   1.871   3.772   2.003
  457    HB1  ALA   1           HB1      ALA  65   0.630   2.505   3.716
  458    HB2  ALA   1           HB2      ALA  65   0.002   2.182   2.097
  459    HB3  ALA   1           HB3      ALA  65  -0.891   3.268   3.184
  460    H    ARG   2           H        ARG  66   0.895   3.315  -0.154
  461    HA   ARG   2           HA       ARG  66  -0.451   5.827  -1.091
  462    HB2  ARG   2           HB2      ARG  66   1.459   4.080  -2.671
  463    HB3  ARG   2           HB3      ARG  66   0.806   5.653  -3.130
  464    HG2  ARG   2           HG2      ARG  66   2.733   5.063  -0.853
  465    HG3  ARG   2           HG3      ARG  66   3.107   5.885  -2.364
  466    HD2  ARG   2           HD2      ARG  66   1.746   7.822  -1.703
  467    HD3  ARG   2           HD3      ARG  66   1.118   6.951  -0.303
  468    HE   ARG   2           HE       ARG  66   2.924   7.423   0.934
  469   HH11  ARG   2          HH11      ARG  66   4.097   8.030  -2.332
  470   HH12  ARG   2          HH12      ARG  66   5.480   8.890  -1.733
  471   HH21  ARG   2          HH21      ARG  66   4.384   8.760   1.566
  472   HH22  ARG   2          HH22      ARG  66   5.687   9.263   0.522
  473    H    THR   3           H        THR  67  -2.251   5.838  -1.900
  474    HA   THR   3           HA       THR  67  -3.424   3.559  -3.438
  475    HB   THR   3           HB       THR  67  -5.603   4.636  -2.902
  476    HG1  THR   3           HG1      THR  67  -5.635   6.312  -1.428
  477   HG21  THR   3          HG21      THR  67  -5.752   4.022  -0.549
  478   HG22  THR   3          HG22      THR  67  -3.988   4.111  -0.358
  479   HG23  THR   3          HG23      THR  67  -4.717   2.850  -1.383
  480   HH31  ALY   4           H26      ALY  68   2.590  11.300 -10.498
  481   HH32  ALY   4           H27      ALY  68   1.026  12.145 -10.479
  482   HH33  ALY   4           H28      ALY  68   1.080  10.376 -10.323
  483    HZ   ALY   4           HZ1      ALY  68  -0.332  11.380  -8.471
  484    HE3  ALY   4           HE3      ALY  68   1.195  12.147  -6.057
  485    HE2  ALY   4           HE2      ALY  68  -0.562  12.113  -6.239
  486    HD3  ALY   4           HD3      ALY  68   1.235   9.646  -6.041
  487    HD2  ALY   4           HD2      ALY  68   0.310  10.352  -4.713
  488    HG3  ALY   4           HG3      ALY  68  -1.806   9.952  -6.011
  489    HG2  ALY   4           HG2      ALY  68  -0.846   9.130  -7.259
  490    HB3  ALY   4           HB3      ALY  68  -0.077   7.476  -5.571
  491    HB2  ALY   4           HB2      ALY  68  -0.963   8.340  -4.314
  492    HA   ALY   4           HA       ALY  68  -3.096   7.889  -5.697
  493    H    ALY   4           H        ALY  68  -1.634   6.171  -3.959
  494    H    GLN   5           H        GLN  69  -0.870   5.203  -6.366
  495    HA   GLN   5           HA       GLN  69  -0.801   5.416  -9.212
  496    HB2  GLN   5           HB2      GLN  69   0.338   3.340  -9.167
  497    HB3  GLN   5           HB3      GLN  69   0.914   4.280  -7.807
  498    HG2  GLN   5           HG2      GLN  69  -1.115   1.995  -7.621
  499    HG3  GLN   5           HG3      GLN  69   0.610   1.829  -7.371
  500   HE21  GLN   5          HE21      GLN  69  -1.028   0.949  -5.339
  501   HE22  GLN   5          HE22      GLN  69  -0.901   2.087  -3.994
  502    H    THR   6           H        THR  70  -1.718   4.064 -10.836
  503    HA   THR   6           HA       THR  70  -4.549   3.550 -10.510
  504    HB   THR   6           HB       THR  70  -4.413   2.756 -12.859
  505    HG1  THR   6           HG1      THR  70  -2.407   2.815 -13.893
  506   HG21  THR   6          HG21      THR  70  -4.622   5.192 -12.378
  507   HG22  THR   6          HG22      THR  70  -3.752   4.859 -13.885
  508   HG23  THR   6          HG23      THR  70  -2.855   5.347 -12.435
  509    H    ALA   7           H        ALA  71  -1.707   1.476 -10.404
  510    HA   ALA   7           HA       ALA  71  -1.364  -0.724 -10.097
  511    HB1  ALA   7           HB1      ALA  71  -2.692  -1.831  -8.395
  512    HB2  ALA   7           HB2      ALA  71  -4.003  -0.652  -8.593
  513    HB3  ALA   7           HB3      ALA  71  -2.425  -0.137  -7.949
  514    H    ARG   8           H        ARG  72  -2.611  -0.064 -12.613
  515    HA   ARG   8           HA       ARG  72  -3.536  -2.750 -13.445
  516    HB2  ARG   8           HB2      ARG  72  -5.055  -0.169 -14.022
  517    HB3  ARG   8           HB3      ARG  72  -5.314  -1.675 -14.887
  518    HG2  ARG   8           HG2      ARG  72  -5.806  -1.256 -11.908
  519    HG3  ARG   8           HG3      ARG  72  -7.028  -1.273 -13.175
  520    HD2  ARG   8           HD2      ARG  72  -6.478  -3.617 -13.723
  521    HD3  ARG   8           HD3      ARG  72  -5.249  -3.650 -12.465
  522    HE   ARG   8           HE       ARG  72  -8.164  -3.741 -12.138
  523   HH11  ARG   8          HH11      ARG  72  -9.009  -4.261 -10.168
  524   HH12  ARG   8          HH12      ARG  72  -8.007  -4.237  -8.748
  525   HH21  ARG   8          HH21      ARG  72  -5.144  -3.267 -10.391
  526   HH22  ARG   8          HH22      ARG  72  -5.869  -3.731  -8.872
  Start of MODEL   12
    1    H1   GLY 811           H1       GLY   1  -0.598  28.960  -5.560
    2    H2   GLY 811           H2       GLY   1   0.472  28.589  -4.375
    3    H3   GLY 811           H3       GLY   1  -0.906  29.396  -4.013
    4    HA2  GLY 811           HA2      GLY   1  -2.266  27.487  -4.632
    5    HA3  GLY 811           HA3      GLY   1  -0.768  26.616  -5.015
    6    HA   PRO 812           HA       PRO   2  -2.128  25.571  -0.691
    7    HB2  PRO 812           HB2      PRO   2  -1.054  22.921  -1.673
    8    HB3  PRO 812           HB3      PRO   2  -2.466  23.237  -0.620
    9    HG2  PRO 812           HG2      PRO   2  -2.857  22.691  -3.229
   10    HG3  PRO 812           HG3      PRO   2  -3.753  24.052  -2.478
   11    HD2  PRO 812           HD2      PRO   2  -1.206  24.161  -4.136
   12    HD3  PRO 812           HD3      PRO   2  -2.700  25.137  -4.301
   13    H    LEU 813           H        LEU   3  -0.936  25.153   1.172
   14    HA   LEU 813           HA       LEU   3   1.880  24.299   1.003
   15    HB2  LEU 813           HB2      LEU   3   1.880  26.782   0.767
   16    HB3  LEU 813           HB3      LEU   3   1.232  26.935   2.387
   17    HG   LEU 813           HG       LEU   3   3.844  25.469   1.771
   18   HD11  LEU 813          HD11      LEU   3   3.480  28.405   2.500
   19   HD12  LEU 813          HD12      LEU   3   3.998  27.780   0.917
   20   HD13  LEU 813          HD13      LEU   3   5.028  27.546   2.333
   21   HD21  LEU 813          HD21      LEU   3   3.066  25.012   4.047
   22   HD22  LEU 813          HD22      LEU   3   2.772  26.746   4.330
   23   HD23  LEU 813          HD23      LEU   3   4.424  26.124   4.118
   24    H    GLY 814           H        GLY   4  -0.392  25.637   3.406
   25    HA2  GLY 814           HA2      GLY   4   0.080  23.310   5.228
   26    HA3  GLY 814           HA3      GLY   4  -0.611  24.873   5.680
   27    H    SER 815           H        SER   5  -1.689  23.391   2.755
   28    HA   SER 815           HA       SER   5  -4.299  22.542   3.842
   29    HB2  SER 815           HB2      SER   5  -5.319  23.902   1.980
   30    HB3  SER 815           HB3      SER   5  -4.498  24.862   3.227
   31    HG   SER 815           HG       SER   5  -3.934  25.519   1.082
   32    H    VAL 816           H        VAL   6  -1.823  21.223   2.482
   33    HA   VAL 816           HA       VAL   6  -2.402  20.482  -0.191
   34    HB   VAL 816           HB       VAL   6  -0.584  19.341   1.982
   35   HG11  VAL 816          HG11      VAL   6   0.855  18.606   0.150
   36   HG12  VAL 816          HG12      VAL   6  -0.450  19.022  -0.999
   37   HG13  VAL 816          HG13      VAL   6  -0.708  17.777   0.259
   38   HG21  VAL 816          HG21      VAL   6   1.132  20.733   1.265
   39   HG22  VAL 816          HG22      VAL   6  -0.218  21.823   1.435
   40   HG23  VAL 816          HG23      VAL   6   0.254  21.283  -0.191
   41    H    GLN 817           H        GLN   7  -3.611  18.895  -1.007
   42    HA   GLN 817           HA       GLN   7  -4.617  16.765   0.782
   43    HB2  GLN 817           HB2      GLN   7  -5.967  16.161  -1.078
   44    HB3  GLN 817           HB3      GLN   7  -6.100  17.898  -0.823
   45    HG2  GLN 817           HG2      GLN   7  -5.689  18.175  -2.989
   46    HG3  GLN 817           HG3      GLN   7  -4.036  17.763  -2.690
   47   HE21  GLN 817          HE21      GLN   7  -6.620  16.915  -4.689
   48   HE22  GLN 817          HE22      GLN   7  -6.082  15.293  -5.083
   49    H    HIS 818           H        HIS   8  -3.857  14.675   0.756
   50    HA   HIS 818           HA       HIS   8  -2.166  13.811  -1.539
   51    HB2  HIS 818           HB2      HIS   8  -1.528  13.753   1.342
   52    HB3  HIS 818           HB3      HIS   8  -1.235  12.250   0.488
   53    HD2  HIS 818           HD2      HIS   8   0.140  15.700   0.817
   54    HE1  HIS 818           HE1      HIS   8   2.223  14.048  -2.502
   55    HE2  HIS 818           HE2      HIS   8   2.062  16.060  -0.985
   56    H    VAL 819           H        VAL   9  -4.309  13.428  -2.358
   57    HA   VAL 819           HA       VAL   9  -5.805  11.073  -1.742
   58    HB   VAL 819           HB       VAL   9  -5.370  12.657  -4.274
   59   HG11  VAL 819          HG11      VAL   9  -7.319  11.484  -5.197
   60   HG12  VAL 819          HG12      VAL   9  -7.309  10.348  -3.828
   61   HG13  VAL 819          HG13      VAL   9  -5.957  10.381  -4.994
   62   HG21  VAL 819          HG21      VAL   9  -7.734  12.319  -2.349
   63   HG22  VAL 819          HG22      VAL   9  -7.691  13.377  -3.780
   64   HG23  VAL 819          HG23      VAL   9  -6.650  13.723  -2.391
   65    H    GLY 820           H        GLY  10  -5.114   9.085  -1.616
   66    HA2  GLY 820           HA2      GLY  10  -3.988   7.145  -2.504
   67    HA3  GLY 820           HA3      GLY  10  -2.749   8.174  -3.207
   68    H    PHE 821           H        PHE  11  -3.251   9.380  -0.060
   69    HA   PHE 821           HA       PHE  11  -1.415   7.387   1.209
   70    HB2  PHE 821           HB2      PHE  11  -0.968  10.356   1.372
   71    HB3  PHE 821           HB3      PHE  11   0.056   9.077   1.966
   72    HD1  PHE 821           HD1      PHE  11  -1.277  10.642  -1.143
   73    HD2  PHE 821           HD2      PHE  11   1.877   8.363   0.674
   74    HE1  PHE 821           HE1      PHE  11   0.118  11.038  -3.132
   75    HE2  PHE 821           HE2      PHE  11   3.273   8.693  -1.379
   76    HZ   PHE 821           HZ       PHE  11   2.417  10.178  -3.211
   77    H    LYS 822           H        LYS  12  -2.990   6.617   2.517
   78    HA   LYS 822           HA       LYS  12  -4.518   8.369   4.390
   79    HB2  LYS 822           HB2      LYS  12  -5.898   6.829   3.663
   80    HB3  LYS 822           HB3      LYS  12  -4.719   5.649   3.301
   81    HG2  LYS 822           HG2      LYS  12  -5.421   6.195   6.229
   82    HG3  LYS 822           HG3      LYS  12  -6.556   5.407   5.174
   83    HD2  LYS 822           HD2      LYS  12  -4.848   3.671   4.558
   84    HD3  LYS 822           HD3      LYS  12  -3.680   4.490   5.599
   85    HE2  LYS 822           HE2      LYS  12  -4.514   2.550   6.722
   86    HE3  LYS 822           HE3      LYS  12  -5.026   4.019   7.573
   87    HZ1  LYS 822           HZ1      LYS  12  -7.262   3.731   6.608
   88    HZ2  LYS 822           HZ2      LYS  12  -6.837   2.339   7.345
   89    HZ3  LYS 822           HZ3      LYS  12  -6.770   2.435   5.726
   90    H    CYS 823           H        CYS  13  -4.098   8.514   6.572
   91    HA   CYS 823           HA       CYS  13  -1.419   8.228   7.559
   92    HB2  CYS 823           HB2      CYS  13  -3.052   9.951   8.272
   93    HB3  CYS 823           HB3      CYS  13  -4.079   8.646   8.901
   94    H    ASP 824           H        ASP  14  -0.556   6.784   8.980
   95    HA   ASP 824           HA       ASP  14  -1.817   4.096   9.252
   96    HB2  ASP 824           HB2      ASP  14   0.937   5.224   9.865
   97    HB3  ASP 824           HB3      ASP  14   0.429   3.625  10.393
   98    H    ASN 825           H        ASN  15  -0.814   6.822  11.307
   99    HA   ASN 825           HA       ASN  15  -1.244   5.417  13.790
  100    HB2  ASN 825           HB2      ASN  15   0.165   7.432  13.655
  101    HB3  ASN 825           HB3      ASN  15  -1.282   8.393  13.262
  102   HD21  ASN 825          HD21      ASN  15  -1.607   9.611  15.064
  103   HD22  ASN 825          HD22      ASN  15  -1.752   8.994  16.702
  104    H    CYS 826           H        CYS  16  -3.377   8.030  12.399
  105    HA   CYS 826           HA       CYS  16  -5.621   7.283  14.064
  106    HB2  CYS 826           HB2      CYS  16  -5.599   8.781  11.420
  107    HB3  CYS 826           HB3      CYS  16  -6.909   8.752  12.604
  108    H    GLY 827           H        GLY  17  -4.685   6.664  10.767
  109    HA2  GLY 827           HA2      GLY  17  -5.353   4.873   9.436
  110    HA3  GLY 827           HA3      GLY  17  -6.852   4.715  10.323
  111    H    ILE 828           H        ILE  18  -6.182   8.012   9.892
  112    HA   ILE 828           HA       ILE  18  -8.543   8.502   8.480
  113    HB   ILE 828           HB       ILE  18  -7.656  10.093  10.032
  114   HG12  ILE 828          HG12      ILE  18  -7.615  11.355   7.255
  115   HG13  ILE 828          HG13      ILE  18  -9.075  10.770   8.000
  116   HG21  ILE 828          HG21      ILE  18  -5.241   9.999   9.821
  117   HG22  ILE 828          HG22      ILE  18  -5.730  11.624   9.466
  118   HG23  ILE 828          HG23      ILE  18  -5.311  10.547   8.128
  119   HD11  ILE 828          HD11      ILE  18  -8.749  12.339   9.918
  120   HD12  ILE 828          HD12      ILE  18  -8.990  13.128   8.348
  121   HD13  ILE 828          HD13      ILE  18  -7.366  13.050   9.045
  122    H    GLU 829           H        GLU  19  -9.050   8.993   6.510
  123    HA   GLU 829           HA       GLU  19  -7.688   7.872   4.305
  124    HB2  GLU 829           HB2      GLU  19  -9.347   9.598   3.117
  125    HB3  GLU 829           HB3      GLU  19  -9.844   8.024   3.628
  126    HG2  GLU 829           HG2      GLU  19 -10.183  10.543   5.335
  127    HG3  GLU 829           HG3      GLU  19 -11.366  10.034   4.140
  128    HA   PRO 830           HA       PRO  20  -4.919  10.297   1.979
  129    HB2  PRO 830           HB2      PRO  20  -7.491  11.713   1.177
  130    HB3  PRO 830           HB3      PRO  20  -6.019  11.389   0.219
  131    HG2  PRO 830           HG2      PRO  20  -8.256   9.754   0.389
  132    HG3  PRO 830           HG3      PRO  20  -6.659   9.221  -0.212
  133    HD2  PRO 830           HD2      PRO  20  -7.851   8.249   2.107
  134    HD3  PRO 830           HD3      PRO  20  -6.120   8.163   1.712
  135    H    ILE 831           H        ILE  21  -3.718  11.248   3.456
  136    HA   ILE 831           HA       ILE  21  -4.422  13.025   5.422
  137    HB   ILE 831           HB       ILE  21  -1.786  12.619   3.973
  138   HG12  ILE 831          HG12      ILE  21  -2.539  11.693   6.783
  139   HG13  ILE 831          HG13      ILE  21  -2.977  10.741   5.383
  140   HG21  ILE 831          HG21      ILE  21  -1.574  14.809   4.981
  141   HG22  ILE 831          HG22      ILE  21  -0.714  13.684   6.015
  142   HG23  ILE 831          HG23      ILE  21  -2.320  14.248   6.493
  143   HD11  ILE 831          HD11      ILE  21  -0.120  11.558   5.953
  144   HD12  ILE 831          HD12      ILE  21  -0.707  10.496   4.660
  145   HD13  ILE 831          HD13      ILE  21  -0.849   9.996   6.357
  146    H    GLN 832           H        GLN  22  -4.638  15.108   5.775
  147    HA   GLN 832           HA       GLN  22  -4.515  16.965   3.453
  148    HB2  GLN 832           HB2      GLN  22  -6.282  17.072   5.916
  149    HB3  GLN 832           HB3      GLN  22  -6.273  18.220   4.580
  150    HG2  GLN 832           HG2      GLN  22  -7.015  15.265   4.337
  151    HG3  GLN 832           HG3      GLN  22  -8.147  16.597   4.455
  152   HE21  GLN 832          HE21      GLN  22  -7.008  14.541   2.210
  153   HE22  GLN 832          HE22      GLN  22  -7.217  15.594   0.805
  154    H    GLY 833           H        GLY  23  -3.493  18.848   3.617
  155    HA2  GLY 833           HA2      GLY  23  -2.785  20.823   4.896
  156    HA3  GLY 833           HA3      GLY  23  -2.312  19.768   6.195
  157    H    VAL 834           H        VAL  24  -0.786  18.013   5.565
  158    HA   VAL 834           HA       VAL  24   1.327  18.559   3.655
  159    HB   VAL 834           HB       VAL  24   1.684  20.021   5.648
  160   HG11  VAL 834          HG11      VAL  24   2.156  17.510   7.233
  161   HG12  VAL 834          HG12      VAL  24   0.753  18.597   7.375
  162   HG13  VAL 834          HG13      VAL  24   2.371  19.189   7.779
  163   HG21  VAL 834          HG21      VAL  24   3.786  17.839   5.315
  164   HG22  VAL 834          HG22      VAL  24   4.059  19.393   6.111
  165   HG23  VAL 834          HG23      VAL  24   3.677  19.373   4.396
  166    H    ARG 835           H        ARG  25   2.257  16.535   3.080
  167    HA   ARG 835           HA       ARG  25   1.230  14.122   4.525
  168    HB2  ARG 835           HB2      ARG  25   1.161  13.771   2.233
  169    HB3  ARG 835           HB3      ARG  25   2.735  14.507   1.929
  170    HG2  ARG 835           HG2      ARG  25   3.837  12.578   3.036
  171    HG3  ARG 835           HG3      ARG  25   2.242  11.849   3.325
  172    HD2  ARG 835           HD2      ARG  25   1.904  11.701   0.864
  173    HD3  ARG 835           HD3      ARG  25   3.506  12.425   0.613
  174    HE   ARG 835           HE       ARG  25   3.124   9.905   2.226
  175   HH11  ARG 835          HH11      ARG  25   4.380   8.366   2.125
  176   HH12  ARG 835          HH12      ARG  25   5.811   8.362   1.111
  177   HH21  ARG 835          HH21      ARG  25   4.905  11.325  -0.479
  178   HH22  ARG 835          HH22      ARG  25   5.995   9.963  -0.492
  179    H    TRP 836           H        TRP  26   2.702  12.583   5.458
  180    HA   TRP 836           HA       TRP  26   5.431  13.641   6.037
  181    HB2  TRP 836           HB2      TRP  26   3.578  12.476   8.122
  182    HB3  TRP 836           HB3      TRP  26   5.310  12.511   8.264
  183    HD1  TRP 836           HD1      TRP  26   2.391  14.888   8.334
  184    HE1  TRP 836           HE1      TRP  26   3.212  17.110   9.421
  185    HE3  TRP 836           HE3      TRP  26   7.385  14.073   8.119
  186    HZ2  TRP 836           HZ2      TRP  26   5.697  18.141  10.425
  187    HZ3  TRP 836           HZ3      TRP  26   8.975  15.552   9.307
  188    HH2  TRP 836           HH2      TRP  26   8.146  17.541  10.521
  189    H    HIS 837           H        HIS  27   6.498  12.452   4.708
  190    HA   HIS 837           HA       HIS  27   5.978   9.541   4.263
  191    HB2  HIS 837           HB2      HIS  27   6.505  10.980   2.330
  192    HB3  HIS 837           HB3      HIS  27   7.903  11.634   3.140
  193    HD2  HIS 837           HD2      HIS  27  10.164  10.608   2.553
  194    HE1  HIS 837           HE1      HIS  27   8.895   6.852   0.971
  195    HE2  HIS 837           HE2      HIS  27  10.906   8.361   1.386
  196    H    CYS 838           H        CYS  28   7.072   7.995   5.669
  197    HA   CYS 838           HA       CYS  28   9.301   8.942   7.289
  198    HB2  CYS 838           HB2      CYS  28   7.762   7.212   7.969
  199    HB3  CYS 838           HB3      CYS  28   8.471   6.176   6.705
  200    H    GLN 839           H        GLN  29  11.328   9.043   6.887
  201    HA   GLN 839           HA       GLN  29  12.201   9.029   4.142
  202    HB2  GLN 839           HB2      GLN  29  13.738   9.359   6.750
  203    HB3  GLN 839           HB3      GLN  29  14.426   9.579   5.146
  204    HG2  GLN 839           HG2      GLN  29  12.748  11.369   4.671
  205    HG3  GLN 839           HG3      GLN  29  12.193  11.268   6.347
  206   HE21  GLN 839          HE21      GLN  29  13.258  13.760   5.353
  207   HE22  GLN 839          HE22      GLN  29  14.829  13.968   6.049
  208    H    ASP 840           H        ASP  30  12.762   6.811   6.924
  209    HA   ASP 840           HA       ASP  30  14.655   5.220   5.281
  210    HB2  ASP 840           HB2      ASP  30  15.110   6.049   7.666
  211    HB3  ASP 840           HB3      ASP  30  13.794   5.060   8.123
  212    H    CYS 841           H        CYS  31  11.320   4.951   6.564
  213    HA   CYS 841           HA       CYS  31  11.064   2.121   6.256
  214    HB2  CYS 841           HB2      CYS  31   8.993   4.340   6.126
  215    HB3  CYS 841           HB3      CYS  31   8.625   2.650   5.879
  216    HA   PRO 842           HA       PRO  32  11.417   1.845   1.911
  217    HB2  PRO 842           HB2      PRO  32  10.573  -0.662   1.333
  218    HB3  PRO 842           HB3      PRO  32  11.934  -0.360   2.457
  219    HG2  PRO 842           HG2      PRO  32   9.029  -0.901   3.162
  220    HG3  PRO 842           HG3      PRO  32  10.496  -1.670   3.840
  221    HD2  PRO 842           HD2      PRO  32   9.202   0.481   5.021
  222    HD3  PRO 842           HD3      PRO  32  10.944   0.160   5.200
  223    HA   PRO 843           HA       PRO  33   7.758   3.164  -0.292
  224    HB2  PRO 843           HB2      PRO  33   8.803   1.422  -2.547
  225    HB3  PRO 843           HB3      PRO  33   8.148   3.081  -2.625
  226    HG2  PRO 843           HG2      PRO  33  10.820   2.712  -2.637
  227    HG3  PRO 843           HG3      PRO  33  10.129   3.972  -1.560
  228    HD2  PRO 843           HD2      PRO  33  10.989   1.149  -0.847
  229    HD3  PRO 843           HD3      PRO  33  11.329   2.693  -0.003
  230    H    GLU 844           H        GLU  34   8.459  -0.311  -0.420
  231    HA   GLU 844           HA       GLU  34   5.947  -1.313  -1.227
  232    HB2  GLU 844           HB2      GLU  34   8.016  -2.609  -1.077
  233    HB3  GLU 844           HB3      GLU  34   7.995  -2.513   0.686
  234    HG2  GLU 844           HG2      GLU  34   5.931  -3.834   0.782
  235    HG3  GLU 844           HG3      GLU  34   5.791  -3.815  -0.976
  236    H    MET 845           H        MET  35   6.974  -0.234   1.970
  237    HA   MET 845           HA       MET  35   4.295  -0.862   3.158
  238    HB2  MET 845           HB2      MET  35   7.012  -0.195   4.293
  239    HB3  MET 845           HB3      MET  35   5.587   0.046   5.278
  240    HG2  MET 845           HG2      MET  35   6.250  -2.582   3.929
  241    HG3  MET 845           HG3      MET  35   6.675  -2.168   5.584
  242    HE1  MET 845           HE1      MET  35   4.053  -0.734   6.874
  243    HE2  MET 845           HE2      MET  35   5.081  -1.987   7.615
  244    HE3  MET 845           HE3      MET  35   3.322  -2.198   7.547
  245    H    SER 846           H        SER  36   6.462   1.908   2.580
  246    HA   SER 846           HA       SER  36   6.228   4.154   2.873
  247    HB2  SER 846           HB2      SER  36   5.534   3.653   0.585
  248    HB3  SER 846           HB3      SER  36   3.839   3.645   1.112
  249    HG   SER 846           HG       SER  36   4.634   5.709   0.260
  250    H    LEU 847           H        LEU  37   5.868   4.083   5.132
  251    HA   LEU 847           HA       LEU  37   3.130   4.313   6.145
  252    HB2  LEU 847           HB2      LEU  37   5.856   4.300   7.417
  253    HB3  LEU 847           HB3      LEU  37   4.463   4.829   8.329
  254    HG   LEU 847           HG       LEU  37   3.733   2.335   7.029
  255   HD11  LEU 847          HD11      LEU  37   6.484   2.246   8.202
  256   HD12  LEU 847          HD12      LEU  37   5.980   1.823   6.584
  257   HD13  LEU 847          HD13      LEU  37   5.468   0.808   7.952
  258   HD21  LEU 847          HD21      LEU  37   4.389   2.251   9.917
  259   HD22  LEU 847          HD22      LEU  37   3.141   1.476   8.981
  260   HD23  LEU 847          HD23      LEU  37   2.994   3.199   9.320
  261    H    ASP 848           H        ASP  38   2.187   6.135   7.125
  262    HA   ASP 848           HA       ASP  38   3.391   8.718   6.447
  263    HB2  ASP 848           HB2      ASP  38   0.620   7.979   5.495
  264    HB3  ASP 848           HB3      ASP  38   1.442   9.520   5.289
  265    H    PHE 849           H        PHE  39   2.615  10.475   7.634
  266    HA   PHE 849           HA       PHE  39   0.338   9.915   9.489
  267    HB2  PHE 849           HB2      PHE  39   2.836  11.435  10.312
  268    HB3  PHE 849           HB3      PHE  39   1.439  11.050  11.281
  269    HD1  PHE 849           HD1      PHE  39   0.873   8.610  11.750
  270    HD2  PHE 849           HD2      PHE  39   4.604   9.821   9.993
  271    HE1  PHE 849           HE1      PHE  39   1.842   6.380  12.298
  272    HE2  PHE 849           HE2      PHE  39   5.557   7.608  10.498
  273    HZ   PHE 849           HZ       PHE  39   4.189   5.865  11.673
  274    H    CYS 850           H        CYS  40  -1.013  11.635  10.071
  275    HA   CYS 850           HA       CYS  40  -1.081  13.848   8.226
  276    HB2  CYS 850           HB2      CYS  40  -2.911  14.601   9.564
  277    HB3  CYS 850           HB3      CYS  40  -3.198  12.931   9.067
  278    H    ASP 851           H        ASP  41  -1.422  16.106   9.103
  279    HA   ASP 851           HA       ASP  41   0.864  17.194  10.354
  280    HB2  ASP 851           HB2      ASP  41  -0.354  19.197  10.428
  281    HB3  ASP 851           HB3      ASP  41  -0.754  18.415   8.908
  282    H    SER 852           H        SER  42  -1.792  15.584  11.839
  283    HA   SER 852           HA       SER  42  -1.319  16.751  14.501
  284    HB2  SER 852           HB2      SER  42  -3.646  16.162  13.573
  285    HB3  SER 852           HB3      SER  42  -3.197  14.475  13.867
  286    HG   SER 852           HG       SER  42  -4.291  15.450  15.676
  287    H    CYS 853           H        CYS  43  -1.052  13.638  12.809
  288    HA   CYS 853           HA       CYS  43  -0.031  12.131  15.012
  289    HB2  CYS 853           HB2      CYS  43  -0.590  11.780  12.070
  290    HB3  CYS 853           HB3      CYS  43   0.105  10.473  13.003
  291    H    SER 854           H        SER  44   1.434  13.956  12.405
  292    HA   SER 854           HA       SER  44   4.029  12.771  12.425
  293    HB2  SER 854           HB2      SER  44   4.746  14.780  11.413
  294    HB3  SER 854           HB3      SER  44   3.122  14.442  10.864
  295    HG   SER 854           HG       SER  44   3.973  16.485  12.646
  296    H    ASP 855           H        ASP  45   2.450  14.445  15.011
  297    HA   ASP 855           HA       ASP  45   4.886  15.124  16.461
  298    HB2  ASP 855           HB2      ASP  45   2.687  16.387  16.637
  299    HB3  ASP 855           HB3      ASP  45   2.014  14.971  17.445
  300    H    CYS 856           H        CYS  46   3.168  12.245  15.825
  301    HA   CYS 856           HA       CYS  46   3.542  10.887  18.348
  302    HB2  CYS 856           HB2      CYS  46   1.699  10.480  16.488
  303    HB3  CYS 856           HB3      CYS  46   2.984   9.621  15.648
  304    HG   CYS 856           HG       CYS  46   1.661   9.049  18.639
  305    H    LEU 857           H        LEU  47   4.855   8.963  18.501
  306    HA   LEU 857           HA       LEU  47   7.159   8.760  16.627
  307    HB2  LEU 857           HB2      LEU  47   7.932   9.872  18.648
  308    HB3  LEU 857           HB3      LEU  47   7.323   8.557  19.657
  309    HG   LEU 857           HG       LEU  47   8.962   7.006  18.749
  310   HD11  LEU 857          HD11      LEU  47   9.581   9.241  16.772
  311   HD12  LEU 857          HD12      LEU  47   9.103   7.556  16.428
  312   HD13  LEU 857          HD13      LEU  47  10.704   7.917  17.097
  313   HD21  LEU 857          HD21      LEU  47  10.283   9.697  19.296
  314   HD22  LEU 857          HD22      LEU  47  11.032   8.091  19.468
  315   HD23  LEU 857          HD23      LEU  47   9.701   8.558  20.534
  316    H    HIS 858           H        HIS  48   5.903   7.295  15.510
  317    HA   HIS 858           HA       HIS  48   4.840   4.965  16.943
  318    HB2  HIS 858           HB2      HIS  48   3.372   6.362  15.492
  319    HB3  HIS 858           HB3      HIS  48   4.350   5.895  14.104
  320    HD2  HIS 858           HD2      HIS  48   3.318   3.908  12.775
  321    HE1  HIS 858           HE1      HIS  48   1.144   1.984  15.899
  322    HE2  HIS 858           HE2      HIS  48   1.677   1.946  13.411
  323    H    GLU 859           H        GLU  49   5.066   2.842  16.372
  324    HA   GLU 859           HA       GLU  49   7.171   2.166  14.443
  325    HB2  GLU 859           HB2      GLU  49   7.195   0.793  17.139
  326    HB3  GLU 859           HB3      GLU  49   8.396   0.793  15.908
  327    HG2  GLU 859           HG2      GLU  49   8.818   3.260  16.363
  328    HG3  GLU 859           HG3      GLU  49   7.669   3.139  17.684
  329    H    THR 860           H        THR  50   6.993   0.219  13.468
  330    HA   THR 860           HA       THR  50   4.741  -1.635  14.197
  331    HB   THR 860           HB       THR  50   4.110  -1.969  11.919
  332    HG1  THR 860           HG1      THR  50   5.069  -0.843  10.240
  333   HG21  THR 860          HG21      THR  50   3.300   0.271  11.205
  334   HG22  THR 860          HG22      THR  50   4.205   0.998  12.559
  335   HG23  THR 860          HG23      THR  50   2.899  -0.144  12.889
  336    H    ASP 861           H        ASP  51   5.610  -3.196  11.690
  337    HA   ASP 861           HA       ASP  51   7.755  -4.759  12.862
  338    HB2  ASP 861           HB2      ASP  51   6.330  -4.923  10.239
  339    HB3  ASP 861           HB3      ASP  51   7.516  -6.086  10.795
  340    H    ILE 862           H        ILE  52   7.361  -2.208  10.461
  341    HA   ILE 862           HA       ILE  52  10.264  -2.271   9.900
  342    HB   ILE 862           HB       ILE  52   8.127  -1.114   8.082
  343   HG12  ILE 862          HG12      ILE  52   7.838  -3.556   8.111
  344   HG13  ILE 862          HG13      ILE  52   8.353  -2.930   6.580
  345   HG21  ILE 862          HG21      ILE  52  10.122  -1.360   6.449
  346   HG22  ILE 862          HG22      ILE  52  11.128  -1.499   7.893
  347   HG23  ILE 862          HG23      ILE  52  10.172  -0.025   7.625
  348   HD11  ILE 862          HD11      ILE  52   9.468  -5.039   7.113
  349   HD12  ILE 862          HD12      ILE  52  10.236  -4.279   8.531
  350   HD13  ILE 862          HD13      ILE  52  10.616  -3.712   6.885
  351    H    HIS 863           H        HIS  53   7.466  -0.337  10.756
  352    HA   HIS 863           HA       HIS  53   8.856   2.218  10.652
  353    HB2  HIS 863           HB2      HIS  53   6.506   1.913  10.234
  354    HB3  HIS 863           HB3      HIS  53   6.101   1.458  11.779
  355    HD1  HIS 863           HD1      HIS  53   5.002   4.012  10.139
  356    HD2  HIS 863           HD2      HIS  53   8.327   4.038  12.577
  357    HE1  HIS 863           HE1      HIS  53   6.609   5.612   9.061
  358    H    LYS 864           H        LYS  54  10.186   3.031  12.169
  359    HA   LYS 864           HA       LYS  54  10.042   2.054  14.961
  360    HB2  LYS 864           HB2      LYS  54  12.587   2.088  13.304
  361    HB3  LYS 864           HB3      LYS  54  12.448   1.765  15.020
  362    HG2  LYS 864           HG2      LYS  54  11.284   0.064  12.763
  363    HG3  LYS 864           HG3      LYS  54  12.741  -0.296  13.647
  364    HD2  LYS 864           HD2      LYS  54  11.618  -0.898  15.613
  365    HD3  LYS 864           HD3      LYS  54  10.133  -0.150  15.151
  366    HE2  LYS 864           HE2      LYS  54   9.638  -1.744  13.482
  367    HE3  LYS 864           HE3      LYS  54  11.282  -2.363  13.439
  368    HZ1  LYS 864           HZ1      LYS  54   9.879  -3.886  14.671
  369    HZ2  LYS 864           HZ2      LYS  54   9.339  -2.721  15.666
  370    HZ3  LYS 864           HZ3      LYS  54  10.909  -3.214  15.750
  371    H    GLU 865           H        GLU  55  11.422   3.347  16.444
  372    HA   GLU 865           HA       GLU  55  11.464   6.175  15.845
  373    HB2  GLU 865           HB2      GLU  55  12.145   6.420  18.121
  374    HB3  GLU 865           HB3      GLU  55  10.875   5.210  18.017
  375    HG2  GLU 865           HG2      GLU  55  12.751   3.449  18.101
  376    HG3  GLU 865           HG3      GLU  55  13.871   4.761  18.400
  377    H    ASP 866           H        ASP  56  13.561   3.898  14.712
  378    HA   ASP 866           HA       ASP  56  16.120   4.931  15.469
  379    HB2  ASP 866           HB2      ASP  56  15.478   2.583  14.737
  380    HB3  ASP 866           HB3      ASP  56  15.439   3.239  13.107
  381    H    HIS 867           H        HIS  57  13.737   5.930  13.195
  382    HA   HIS 867           HA       HIS  57  15.603   7.542  11.559
  383    HB2  HIS 867           HB2      HIS  57  13.856   6.804   9.777
  384    HB3  HIS 867           HB3      HIS  57  15.142   5.729  10.215
  385    HD1  HIS 867           HD1      HIS  57  14.046   3.561   9.616
  386    HD2  HIS 867           HD2      HIS  57  11.587   6.291  11.605
  387    HE1  HIS 867           HE1      HIS  57  11.655   3.330   8.750
  388    H    GLN 868           H        GLN  58  13.645   8.652  10.009
  389    HA   GLN 868           HA       GLN  58  11.914  10.228  11.711
  390    HB2  GLN 868           HB2      GLN  58  12.959  12.386  11.353
  391    HB3  GLN 868           HB3      GLN  58  14.034  11.307  12.212
  392    HG2  GLN 868           HG2      GLN  58  14.205  11.936   9.231
  393    HG3  GLN 868           HG3      GLN  58  15.160  12.720  10.478
  394   HE21  GLN 868          HE21      GLN  58  15.678  10.638   8.109
  395   HE22  GLN 868          HE22      GLN  58  16.712   9.455   8.917
  396    H    LEU 869           H        LEU  59  10.759  11.948  10.565
  397    HA   LEU 869           HA       LEU  59   9.830  10.870   7.962
  398    HB2  LEU 869           HB2      LEU  59   8.441  12.844   9.804
  399    HB3  LEU 869           HB3      LEU  59   7.744  11.934   8.464
  400    HG   LEU 869           HG       LEU  59   6.830  11.125  10.413
  401   HD11  LEU 869          HD11      LEU  59   7.304   9.427   8.802
  402   HD12  LEU 869          HD12      LEU  59   7.429   8.757  10.439
  403   HD13  LEU 869          HD13      LEU  59   8.919   9.120   9.563
  404   HD21  LEU 869          HD21      LEU  59   8.612  11.868  12.046
  405   HD22  LEU 869          HD22      LEU  59   9.469  10.345  11.675
  406   HD23  LEU 869          HD23      LEU  59   7.846  10.310  12.363
  407    H    GLU 870           H        GLU  60   9.172  12.218   6.271
  408    HA   GLU 870           HA       GLU  60  10.501  14.876   6.085
  409    HB2  GLU 870           HB2      GLU  60  11.163  13.018   4.495
  410    HB3  GLU 870           HB3      GLU  60   9.550  13.027   3.873
  411    HG2  GLU 870           HG2      GLU  60  11.185  14.204   2.488
  412    HG3  GLU 870           HG3      GLU  60   9.803  15.219   2.959
  413    HA   PRO 871           HA       PRO  61   6.174  16.303   5.831
  414    HB2  PRO 871           HB2      PRO  61   6.597  18.990   5.976
  415    HB3  PRO 871           HB3      PRO  61   6.700  17.926   7.401
  416    HG2  PRO 871           HG2      PRO  61   8.952  19.044   5.727
  417    HG3  PRO 871           HG3      PRO  61   8.861  18.870   7.504
  418    HD2  PRO 871           HD2      PRO  61  10.153  17.095   5.788
  419    HD3  PRO 871           HD3      PRO  61   9.545  16.651   7.400
  420    H    ILE 872           H        ILE  62   4.975  16.784   3.987
  421    HA   ILE 872           HA       ILE  62   6.450  17.855   1.617
  422    HB   ILE 872           HB       ILE  62   4.144  16.005   1.356
  423   HG12  ILE 872          HG12      ILE  62   5.746  14.709   2.770
  424   HG13  ILE 872          HG13      ILE  62   5.462  14.000   1.210
  425   HG21  ILE 872          HG21      ILE  62   4.942  17.361  -0.567
  426   HG22  ILE 872          HG22      ILE  62   5.110  15.624  -0.863
  427   HG23  ILE 872          HG23      ILE  62   6.526  16.614  -0.451
  428   HD11  ILE 872          HD11      ILE  62   7.861  15.760   1.753
  429   HD12  ILE 872          HD12      ILE  62   7.584  14.718   0.355
  430   HD13  ILE 872          HD13      ILE  62   7.856  13.988   1.952
  431    H    TYR 873           H        TYR  63   5.799  19.743   1.183
  432    HA   TYR 873           HA       TYR  63   3.261  20.786   2.181
  433    HB2  TYR 873           HB2      TYR  63   5.753  22.176   1.132
  434    HB3  TYR 873           HB3      TYR  63   4.334  22.986   1.767
  435    HD1  TYR 873           HD1      TYR  63   3.544  22.321   4.181
  436    HD2  TYR 873           HD2      TYR  63   7.519  21.629   2.655
  437    HE1  TYR 873           HE1      TYR  63   4.407  22.203   6.495
  438    HE2  TYR 873           HE2      TYR  63   8.386  21.514   4.981
  439    HH   TYR 873           HH       TYR  63   7.897  21.792   7.233
  440    H    ARG 874           H        ARG  64   3.665  19.122  -0.295
  441    HA   ARG 874           HA       ARG  64   1.797  20.497  -2.046
  442    HB2  ARG 874           HB2      ARG  64   3.246  20.320  -4.052
  443    HB3  ARG 874           HB3      ARG  64   3.832  21.488  -2.863
  444    HG2  ARG 874           HG2      ARG  64   5.597  19.994  -2.135
  445    HG3  ARG 874           HG3      ARG  64   4.934  18.655  -3.090
  446    HD2  ARG 874           HD2      ARG  64   5.317  19.881  -5.158
  447    HD3  ARG 874           HD3      ARG  64   5.943  21.272  -4.268
  448    HE   ARG 874           HE       ARG  64   7.266  18.660  -4.747
  449   HH11  ARG 874          HH11      ARG  64   9.270  21.547  -2.847
  450   HH12  ARG 874          HH12      ARG  64   7.571  21.771  -3.139
  451   HH21  ARG 874          HH21      ARG  64   9.432  18.462  -4.356
  452   HH22  ARG 874          HH22      ARG  64  10.294  19.722  -3.523
  453    H1   ALA   1           H1       ALA  65   0.661   4.853   5.747
  454    H2   ALA   1           H2       ALA  65  -0.503   5.676   4.925
  455    H3   ALA   1           H3       ALA  65   1.058   5.752   4.424
  456    HA   ALA   1           HA       ALA  65   1.085   3.455   3.881
  457    HB1  ALA   1           HB1      ALA  65  -1.858   3.507   4.655
  458    HB2  ALA   1           HB2      ALA  65  -0.548   2.638   5.498
  459    HB3  ALA   1           HB3      ALA  65  -1.002   2.165   3.862
  460    H    ARG   2           H        ARG  66   1.439   3.679   1.827
  461    HA   ARG   2           HA       ARG  66   0.024   5.266  -0.033
  462    HB2  ARG   2           HB2      ARG  66   1.267   4.221  -1.726
  463    HB3  ARG   2           HB3      ARG  66   2.306   4.361  -0.330
  464    HG2  ARG   2           HG2      ARG  66   1.079   1.873  -1.552
  465    HG3  ARG   2           HG3      ARG  66   2.773   2.257  -1.361
  466    HD2  ARG   2           HD2      ARG  66   2.643   1.907   1.060
  467    HD3  ARG   2           HD3      ARG  66   0.914   1.619   0.996
  468    HE   ARG   2           HE       ARG  66   3.029  -0.252   0.369
  469   HH11  ARG   2          HH11      ARG  66  -0.380   0.394  -0.326
  470   HH12  ARG   2          HH12      ARG  66  -0.688  -1.296  -0.638
  471   HH21  ARG   2          HH21      ARG  66   2.572  -2.284   0.002
  472   HH22  ARG   2          HH22      ARG  66   0.963  -2.809  -0.456
  473    H    THR   3           H        THR  67  -1.983   5.190  -0.587
  474    HA   THR   3           HA       THR  67  -3.304   2.626  -1.417
  475    HB   THR   3           HB       THR  67  -5.436   3.870  -1.175
  476    HG1  THR   3           HG1      THR  67  -5.424   5.874  -0.209
  477   HG21  THR   3          HG21      THR  67  -5.548   3.911   1.254
  478   HG22  THR   3          HG22      THR  67  -3.778   3.992   1.387
  479   HG23  THR   3          HG23      THR  67  -4.563   2.527   0.749
  480   HH31  ALY   4           H26      ALY  68   0.636  12.191  -7.999
  481   HH32  ALY   4           H27      ALY  68  -0.658  12.040  -6.796
  482   HH33  ALY   4           H28      ALY  68  -0.397  10.747  -7.997
  483    HZ   ALY   4           HZ1      ALY  68   1.274   9.439  -4.994
  484    HE3  ALY   4           HE3      ALY  68  -1.012   9.138  -4.449
  485    HE2  ALY   4           HE2      ALY  68  -1.495  10.094  -5.843
  486    HD3  ALY   4           HD3      ALY  68  -2.008   7.813  -6.369
  487    HD2  ALY   4           HD2      ALY  68  -0.619   8.280  -7.341
  488    HG3  ALY   4           HG3      ALY  68  -0.138   6.099  -6.567
  489    HG2  ALY   4           HG2      ALY  68   0.886   7.173  -5.646
  490    HB3  ALY   4           HB3      ALY  68   0.061   5.506  -4.161
  491    HB2  ALY   4           HB2      ALY  68  -0.690   7.022  -3.698
  492    HA   ALY   4           HA       ALY  68  -2.802   6.316  -4.823
  493    H    ALY   4           H        ALY  68  -1.737   5.355  -2.506
  494    H    GLN   5           H        GLN  69  -3.737   5.303  -6.499
  495    HA   GLN   5           HA       GLN  69  -2.972   2.654  -7.457
  496    HB2  GLN   5           HB2      GLN  69  -4.861   4.763  -8.587
  497    HB3  GLN   5           HB3      GLN  69  -4.647   3.129  -9.236
  498    HG2  GLN   5           HG2      GLN  69  -5.355   2.172  -7.034
  499    HG3  GLN   5           HG3      GLN  69  -5.682   3.804  -6.444
  500   HE21  GLN   5          HE21      GLN  69  -8.950   2.510  -7.537
  501   HE22  GLN   5          HE22      GLN  69  -7.795   2.194  -6.252
  502    H    THR   6           H        THR  70  -2.268   2.190  -9.646
  503    HA   THR   6           HA       THR  70  -0.975   4.287 -11.227
  504    HB   THR   6           HB       THR  70   0.732   3.727  -9.504
  505    HG1  THR   6           HG1      THR  70   2.367   3.562 -11.022
  506   HG21  THR   6          HG21      THR  70   0.875   0.999 -10.873
  507   HG22  THR   6          HG22      THR  70   0.268   1.293  -9.228
  508   HG23  THR   6          HG23      THR  70   1.965   1.625  -9.618
  509    H    ALA   7           H        ALA  71  -0.040   3.424 -13.233
  510    HA   ALA   7           HA       ALA  71  -0.411   2.569 -15.270
  511    HB1  ALA   7           HB1      ALA  71   0.696   0.635 -14.168
  512    HB2  ALA   7           HB2      ALA  71  -0.347   0.165 -15.514
  513    HB3  ALA   7           HB3      ALA  71  -0.906  -0.071 -13.849
  514    H    ARG   8           H        ARG  72  -1.958   1.045 -16.652
  515    HA   ARG   8           HA       ARG  72  -4.807   1.418 -16.033
  516    HB2  ARG   8           HB2      ARG  72  -4.135   3.585 -16.992
  517    HB3  ARG   8           HB3      ARG  72  -3.439   2.773 -18.389
  518    HG2  ARG   8           HG2      ARG  72  -5.539   3.790 -18.970
  519    HG3  ARG   8           HG3      ARG  72  -5.681   2.047 -19.125
  520    HD2  ARG   8           HD2      ARG  72  -6.645   3.581 -16.675
  521    HD3  ARG   8           HD3      ARG  72  -7.655   3.299 -18.109
  522    HE   ARG   8           HE       ARG  72  -6.579   0.807 -17.250
  523   HH11  ARG   8          HH11      ARG  72  -9.024   3.085 -16.164
  524   HH12  ARG   8          HH12      ARG  72  -9.927   1.838 -15.337
  525   HH21  ARG   8          HH21      ARG  72  -7.734  -0.681 -16.211
  526   HH22  ARG   8          HH22      ARG  72  -9.199  -0.262 -15.364
  Start of MODEL   13
    1    H1   GLY 811           H1       GLY   1  -3.412  31.636   0.250
    2    H2   GLY 811           H2       GLY   1  -5.043  31.742   0.361
    3    H3   GLY 811           H3       GLY   1  -4.288  32.207  -1.015
    4    HA2  GLY 811           HA2      GLY   1  -5.334  30.069  -1.369
    5    HA3  GLY 811           HA3      GLY   1  -3.571  29.944  -1.478
    6    HA   PRO 812           HA       PRO   2  -5.442  27.027   1.806
    7    HB2  PRO 812           HB2      PRO   2  -5.351  24.617   0.520
    8    HB3  PRO 812           HB3      PRO   2  -6.712  25.768   0.333
    9    HG2  PRO 812           HG2      PRO   2  -4.303  25.428  -1.492
   10    HG3  PRO 812           HG3      PRO   2  -6.038  25.455  -1.945
   11    HD2  PRO 812           HD2      PRO   2  -4.495  27.679  -2.127
   12    HD3  PRO 812           HD3      PRO   2  -6.197  27.781  -1.588
   13    H    LEU 813           H        LEU   3  -4.262  25.612   3.134
   14    HA   LEU 813           HA       LEU   3  -1.618  24.629   2.330
   15    HB2  LEU 813           HB2      LEU   3  -1.407  27.131   3.150
   16    HB3  LEU 813           HB3      LEU   3  -1.715  26.456   4.745
   17    HG   LEU 813           HG       LEU   3   0.297  24.887   4.290
   18   HD11  LEU 813          HD11      LEU   3   1.955  25.721   2.683
   19   HD12  LEU 813          HD12      LEU   3   0.848  27.012   2.165
   20   HD13  LEU 813          HD13      LEU   3   0.455  25.318   1.829
   21   HD21  LEU 813          HD21      LEU   3   1.913  26.616   4.961
   22   HD22  LEU 813          HD22      LEU   3   0.389  26.785   5.847
   23   HD23  LEU 813          HD23      LEU   3   0.756  27.891   4.506
   24    H    GLY 814           H        GLY   4  -3.891  25.043   5.040
   25    HA2  GLY 814           HA2      GLY   4  -2.902  22.572   6.368
   26    HA3  GLY 814           HA3      GLY   4  -3.897  23.835   7.085
   27    H    SER 815           H        SER   5  -4.923  22.682   3.990
   28    HA   SER 815           HA       SER   5  -7.112  21.057   5.132
   29    HB2  SER 815           HB2      SER   5  -8.611  22.285   3.565
   30    HB3  SER 815           HB3      SER   5  -7.863  23.333   4.784
   31    HG   SER 815           HG       SER   5  -7.759  24.214   2.635
   32    H    VAL 816           H        VAL   6  -4.566  20.506   3.437
   33    HA   VAL 816           HA       VAL   6  -5.251  19.852   0.759
   34    HB   VAL 816           HB       VAL   6  -3.007  19.034   2.637
   35   HG11  VAL 816          HG11      VAL   6  -2.873  19.164  -0.356
   36   HG12  VAL 816          HG12      VAL   6  -3.033  17.684   0.620
   37   HG13  VAL 816          HG13      VAL   6  -1.594  18.686   0.818
   38   HG21  VAL 816          HG21      VAL   6  -3.293  21.581   2.366
   39   HG22  VAL 816          HG22      VAL   6  -2.909  21.342   0.649
   40   HG23  VAL 816          HG23      VAL   6  -1.746  20.913   1.936
   41    H    GLN 817           H        GLN   7  -6.009  18.056  -0.179
   42    HA   GLN 817           HA       GLN   7  -6.486  15.647   1.492
   43    HB2  GLN 817           HB2      GLN   7  -7.812  14.931  -0.439
   44    HB3  GLN 817           HB3      GLN   7  -8.388  16.406   0.329
   45    HG2  GLN 817           HG2      GLN   7  -8.422  17.495  -1.588
   46    HG3  GLN 817           HG3      GLN   7  -6.709  17.260  -1.807
   47   HE21  GLN 817          HE21      GLN   7  -6.013  15.149  -2.761
   48   HE22  GLN 817          HE22      GLN   7  -7.036  14.494  -4.059
   49    H    HIS 818           H        HIS   8  -5.127  13.930   1.478
   50    HA   HIS 818           HA       HIS   8  -3.279  13.597  -0.827
   51    HB2  HIS 818           HB2      HIS   8  -2.933  12.159   1.776
   52    HB3  HIS 818           HB3      HIS   8  -1.753  12.674   0.584
   53    HD2  HIS 818           HD2      HIS   8  -1.564  15.617   0.517
   54    HE1  HIS 818           HE1      HIS   8  -2.711  15.982   4.582
   55    HE2  HIS 818           HE2      HIS   8  -1.714  17.219   2.569
   56    H    VAL 819           H        VAL   9  -5.485  12.785  -1.821
   57    HA   VAL 819           HA       VAL   9  -6.335  10.109  -1.345
   58    HB   VAL 819           HB       VAL   9  -6.431  11.741  -3.849
   59   HG11  VAL 819          HG11      VAL   9  -7.781   9.075  -3.231
   60   HG12  VAL 819          HG12      VAL   9  -6.560   9.366  -4.498
   61   HG13  VAL 819          HG13      VAL   9  -8.147  10.120  -4.617
   62   HG21  VAL 819          HG21      VAL   9  -8.833  11.930  -3.198
   63   HG22  VAL 819          HG22      VAL   9  -7.791  12.591  -1.936
   64   HG23  VAL 819          HG23      VAL   9  -8.507  10.981  -1.732
   65    H    GLY 820           H        GLY  10  -5.502   8.196  -1.684
   66    HA2  GLY 820           HA2      GLY  10  -4.054   6.586  -2.586
   67    HA3  GLY 820           HA3      GLY  10  -3.033   7.856  -3.276
   68    H    PHE 821           H        PHE  11  -3.539   8.833  -0.109
   69    HA   PHE 821           HA       PHE  11  -1.319   7.155   1.014
   70    HB2  PHE 821           HB2      PHE  11  -1.628  10.147   1.295
   71    HB3  PHE 821           HB3      PHE  11  -0.319   9.127   1.876
   72    HD1  PHE 821           HD1      PHE  11  -1.781  10.830  -1.016
   73    HD2  PHE 821           HD2      PHE  11   1.551   8.602   0.520
   74    HE1  PHE 821           HE1      PHE  11  -0.415  11.559  -2.959
   75    HE2  PHE 821           HE2      PHE  11   2.893   9.222  -1.490
   76    HZ   PHE 821           HZ       PHE  11   1.929  10.782  -3.168
   77    H    LYS 822           H        LYS  12  -2.713   5.941   2.213
   78    HA   LYS 822           HA       LYS  12  -4.423   7.128   4.360
   79    HB2  LYS 822           HB2      LYS  12  -5.420   5.319   3.313
   80    HB3  LYS 822           HB3      LYS  12  -3.964   4.459   3.110
   81    HG2  LYS 822           HG2      LYS  12  -4.572   4.602   6.018
   82    HG3  LYS 822           HG3      LYS  12  -5.983   4.144   5.122
   83    HD2  LYS 822           HD2      LYS  12  -4.512   2.349   3.969
   84    HD3  LYS 822           HD3      LYS  12  -3.321   2.745   5.225
   85    HE2  LYS 822           HE2      LYS  12  -4.565   0.846   5.978
   86    HE3  LYS 822           HE3      LYS  12  -5.021   2.234   6.976
   87    HZ1  LYS 822           HZ1      LYS  12  -7.081   2.436   5.571
   88    HZ2  LYS 822           HZ2      LYS  12  -6.990   0.981   6.315
   89    HZ3  LYS 822           HZ3      LYS  12  -6.635   1.101   4.730
   90    H    CYS 823           H        CYS  13  -3.772   7.030   6.540
   91    HA   CYS 823           HA       CYS  13  -0.960   7.125   7.084
   92    HB2  CYS 823           HB2      CYS  13  -2.258   8.674   8.195
   93    HB3  CYS 823           HB3      CYS  13  -3.547   7.535   8.504
   94    H    ASP 824           H        ASP  14   0.141   6.010   8.703
   95    HA   ASP 824           HA       ASP  14  -0.353   3.071   8.906
   96    HB2  ASP 824           HB2      ASP  14   2.120   4.798   9.286
   97    HB3  ASP 824           HB3      ASP  14   2.037   3.119   9.783
   98    H    ASN 825           H        ASN  15   0.164   5.958  10.973
   99    HA   ASN 825           HA       ASN  15   0.309   4.523  13.483
  100    HB2  ASN 825           HB2      ASN  15   1.099   6.814  13.278
  101    HB3  ASN 825           HB3      ASN  15  -0.539   7.368  12.872
  102   HD21  ASN 825          HD21      ASN  15  -2.080   7.559  14.564
  103   HD22  ASN 825          HD22      ASN  15  -1.541   7.529  16.243
  104    H    CYS 826           H        CYS  16  -2.429   6.411  12.102
  105    HA   CYS 826           HA       CYS  16  -4.306   5.238  13.967
  106    HB2  CYS 826           HB2      CYS  16  -4.943   7.108  11.681
  107    HB3  CYS 826           HB3      CYS  16  -5.771   6.950  13.215
  108    H    GLY 827           H        GLY  17  -3.486   4.924  10.575
  109    HA2  GLY 827           HA2      GLY  17  -4.065   3.346   9.088
  110    HA3  GLY 827           HA3      GLY  17  -5.270   2.661  10.148
  111    H    ILE 828           H        ILE  18  -5.499   6.109   9.954
  112    HA   ILE 828           HA       ILE  18  -8.057   6.058   8.766
  113    HB   ILE 828           HB       ILE  18  -7.476   7.776  10.292
  114   HG12  ILE 828          HG12      ILE  18  -7.662   9.102   7.541
  115   HG13  ILE 828          HG13      ILE  18  -9.025   8.341   8.279
  116   HG21  ILE 828          HG21      ILE  18  -5.384   8.827   8.349
  117   HG22  ILE 828          HG22      ILE  18  -5.025   7.954   9.836
  118   HG23  ILE 828          HG23      ILE  18  -5.841   9.494   9.931
  119   HD11  ILE 828          HD11      ILE  18  -7.581  10.789   9.344
  120   HD12  ILE 828          HD12      ILE  18  -8.857   9.915  10.231
  121   HD13  ILE 828          HD13      ILE  18  -9.211  10.688   8.672
  122    H    GLU 829           H        GLU  19  -8.716   6.513   6.784
  123    HA   GLU 829           HA       GLU  19  -7.139   5.754   4.521
  124    HB2  GLU 829           HB2      GLU  19  -9.631   7.242   4.127
  125    HB3  GLU 829           HB3      GLU  19  -9.075   5.776   3.354
  126    HG2  GLU 829           HG2      GLU  19 -10.458   5.936   6.019
  127    HG3  GLU 829           HG3      GLU  19 -11.052   5.221   4.531
  128    HA   PRO 830           HA       PRO  20  -5.330   8.962   2.369
  129    HB2  PRO 830           HB2      PRO  20  -7.972  10.074   1.403
  130    HB3  PRO 830           HB3      PRO  20  -6.346  10.177   0.655
  131    HG2  PRO 830           HG2      PRO  20  -8.027   8.230  -0.069
  132    HG3  PRO 830           HG3      PRO  20  -6.293   7.862   0.211
  133    HD2  PRO 830           HD2      PRO  20  -8.675   7.369   1.969
  134    HD3  PRO 830           HD3      PRO  20  -7.165   6.413   1.845
  135    H    ILE 831           H        ILE  21  -4.323  10.211   3.686
  136    HA   ILE 831           HA       ILE  21  -5.364  11.572   5.872
  137    HB   ILE 831           HB       ILE  21  -2.737  11.869   4.384
  138   HG12  ILE 831          HG12      ILE  21  -3.127  10.499   7.067
  139   HG13  ILE 831          HG13      ILE  21  -3.467   9.626   5.597
  140   HG21  ILE 831          HG21      ILE  21  -2.989  13.908   5.796
  141   HG22  ILE 831          HG22      ILE  21  -1.748  12.860   6.414
  142   HG23  ILE 831          HG23      ILE  21  -3.343  12.886   7.199
  143   HD11  ILE 831          HD11      ILE  21  -1.197   9.169   6.258
  144   HD12  ILE 831          HD12      ILE  21  -0.789  10.880   6.265
  145   HD13  ILE 831          HD13      ILE  21  -1.203  10.075   4.735
  146    H    GLN 832           H        GLN  22  -5.502  13.737   6.489
  147    HA   GLN 832           HA       GLN  22  -5.858  15.651   4.223
  148    HB2  GLN 832           HB2      GLN  22  -7.590  15.461   6.725
  149    HB3  GLN 832           HB3      GLN  22  -7.838  16.541   5.362
  150    HG2  GLN 832           HG2      GLN  22  -8.031  13.489   5.184
  151    HG3  GLN 832           HG3      GLN  22  -9.372  14.548   5.473
  152   HE21  GLN 832          HE21      GLN  22  -8.172  12.766   3.047
  153   HE22  GLN 832          HE22      GLN  22  -8.741  13.769   1.709
  154    H    GLY 833           H        GLY  23  -5.071  17.610   4.411
  155    HA2  GLY 833           HA2      GLY  23  -4.836  19.663   5.765
  156    HA3  GLY 833           HA3      GLY  23  -4.128  18.712   7.023
  157    H    VAL 834           H        VAL  24  -2.195  17.434   6.377
  158    HA   VAL 834           HA       VAL  24  -0.418  18.481   4.341
  159    HB   VAL 834           HB       VAL  24  -0.137  19.858   6.386
  160   HG11  VAL 834          HG11      VAL  24  -0.739  18.176   8.026
  161   HG12  VAL 834          HG12      VAL  24   0.767  19.034   8.413
  162   HG13  VAL 834          HG13      VAL  24   0.841  17.379   7.760
  163   HG21  VAL 834          HG21      VAL  24   1.844  19.561   4.950
  164   HG22  VAL 834          HG22      VAL  24   2.261  18.057   5.820
  165   HG23  VAL 834          HG23      VAL  24   2.327  19.620   6.647
  166    H    ARG 835           H        ARG  25   0.887  16.706   3.580
  167    HA   ARG 835           HA       ARG  25   0.253  14.083   4.822
  168    HB2  ARG 835           HB2      ARG  25   0.362  14.394   2.295
  169    HB3  ARG 835           HB3      ARG  25   2.112  14.524   2.473
  170    HG2  ARG 835           HG2      ARG  25   2.290  12.279   3.326
  171    HG3  ARG 835           HG3      ARG  25   0.533  12.151   3.504
  172    HD2  ARG 835           HD2      ARG  25   1.193  10.917   1.582
  173    HD3  ARG 835           HD3      ARG  25   0.275  12.306   1.049
  174    HE   ARG 835           HE       ARG  25   2.152  13.189  -0.015
  175   HH11  ARG 835          HH11      ARG  25   3.113  10.248   1.719
  176   HH12  ARG 835          HH12      ARG  25   4.635  10.187   0.858
  177   HH21  ARG 835          HH21      ARG  25   5.153  11.584  -0.658
  178   HH22  ARG 835          HH22      ARG  25   4.128  12.920  -1.098
  179    H    TRP 836           H        TRP  26   2.021  12.665   5.541
  180    HA   TRP 836           HA       TRP  26   4.590  14.078   6.084
  181    HB2  TRP 836           HB2      TRP  26   3.178  12.399   8.157
  182    HB3  TRP 836           HB3      TRP  26   4.853  12.785   8.161
  183    HD1  TRP 836           HD1      TRP  26   1.565  14.587   8.716
  184    HE1  TRP 836           HE1      TRP  26   2.084  16.888   9.826
  185    HE3  TRP 836           HE3      TRP  26   6.578  14.748   7.939
  186    HZ2  TRP 836           HZ2      TRP  26   4.432  18.333  10.631
  187    HZ3  TRP 836           HZ3      TRP  26   7.988  16.476   9.005
  188    HH2  TRP 836           HH2      TRP  26   6.933  18.258  10.383
  189    H    HIS 837           H        HIS  27   5.594  13.290   4.500
  190    HA   HIS 837           HA       HIS  27   5.432  10.449   3.621
  191    HB2  HIS 837           HB2      HIS  27   5.484  12.357   1.980
  192    HB3  HIS 837           HB3      HIS  27   7.002  12.893   2.648
  193    HD2  HIS 837           HD2      HIS  27   9.215  11.775   1.803
  194    HE1  HIS 837           HE1      HIS  27   7.507   8.721  -0.639
  195    HE2  HIS 837           HE2      HIS  27   9.681   9.870   0.037
  196    H    CYS 838           H        CYS  28   6.630   9.002   4.684
  197    HA   CYS 838           HA       CYS  28   8.846   9.701   6.294
  198    HB2  CYS 838           HB2      CYS  28   7.674   7.189   5.147
  199    HB3  CYS 838           HB3      CYS  28   9.333   7.143   5.766
  200    H    GLN 839           H        GLN  29  10.994  10.160   5.846
  201    HA   GLN 839           HA       GLN  29  11.713  10.399   3.055
  202    HB2  GLN 839           HB2      GLN  29  13.348  10.810   5.580
  203    HB3  GLN 839           HB3      GLN  29  13.920  11.116   3.951
  204    HG2  GLN 839           HG2      GLN  29  11.916  12.699   3.653
  205    HG3  GLN 839           HG3      GLN  29  11.735  12.643   5.408
  206   HE21  GLN 839          HE21      GLN  29  12.237  15.188   4.392
  207   HE22  GLN 839          HE22      GLN  29  13.912  15.580   4.601
  208    H    ASP 840           H        ASP  30  12.650   8.098   5.626
  209    HA   ASP 840           HA       ASP  30  14.666   6.861   3.821
  210    HB2  ASP 840           HB2      ASP  30  15.284   7.680   6.074
  211    HB3  ASP 840           HB3      ASP  30  14.135   6.559   6.771
  212    H    CYS 841           H        CYS  31  11.601   6.045   5.474
  213    HA   CYS 841           HA       CYS  31  11.755   3.242   5.024
  214    HB2  CYS 841           HB2      CYS  31   9.240   4.932   5.188
  215    HB3  CYS 841           HB3      CYS  31   9.361   3.203   5.309
  216    HA   PRO 842           HA       PRO  32  11.848   3.211   0.704
  217    HB2  PRO 842           HB2      PRO  32  11.259   0.646  -0.007
  218    HB3  PRO 842           HB3      PRO  32  12.673   1.075   0.999
  219    HG2  PRO 842           HG2      PRO  32   9.945   0.132   1.945
  220    HG3  PRO 842           HG3      PRO  32  11.553  -0.513   2.402
  221    HD2  PRO 842           HD2      PRO  32  10.213   1.337   3.922
  222    HD3  PRO 842           HD3      PRO  32  11.989   1.320   3.797
  223    HA   PRO 843           HA       PRO  33   7.973   4.164  -1.319
  224    HB2  PRO 843           HB2      PRO  33   9.179   2.677  -3.669
  225    HB3  PRO 843           HB3      PRO  33   8.302   4.237  -3.660
  226    HG2  PRO 843           HG2      PRO  33  10.992   4.240  -3.758
  227    HG3  PRO 843           HG3      PRO  33  10.175   5.340  -2.596
  228    HD2  PRO 843           HD2      PRO  33  11.433   2.634  -2.057
  229    HD3  PRO 843           HD3      PRO  33  11.579   4.167  -1.143
  230    H    GLU 844           H        GLU  34   9.108   0.810  -1.628
  231    HA   GLU 844           HA       GLU  34   6.697  -0.466  -2.381
  232    HB2  GLU 844           HB2      GLU  34   8.918  -1.496  -2.381
  233    HB3  GLU 844           HB3      GLU  34   8.976  -1.453  -0.613
  234    HG2  GLU 844           HG2      GLU  34   7.202  -3.083  -0.438
  235    HG3  GLU 844           HG3      GLU  34   6.793  -2.913  -2.150
  236    H    MET 845           H        MET  35   7.752   0.682   0.776
  237    HA   MET 845           HA       MET  35   5.293  -0.324   2.129
  238    HB2  MET 845           HB2      MET  35   7.726   1.141   3.192
  239    HB3  MET 845           HB3      MET  35   6.329   0.648   4.160
  240    HG2  MET 845           HG2      MET  35   8.089  -1.271   2.585
  241    HG3  MET 845           HG3      MET  35   8.293  -0.895   4.292
  242    HE1  MET 845           HE1      MET  35   5.324  -2.643   6.046
  243    HE2  MET 845           HE2      MET  35   5.470  -0.914   5.661
  244    HE3  MET 845           HE3      MET  35   6.892  -1.825   6.230
  245    H    SER 846           H        SER  36   6.947   2.730   1.388
  246    HA   SER 846           HA       SER  36   6.446   4.911   1.631
  247    HB2  SER 846           HB2      SER  36   5.400   4.293  -0.534
  248    HB3  SER 846           HB3      SER  36   3.836   4.161   0.300
  249    HG   SER 846           HG       SER  36   4.257   6.274  -0.654
  250    H    LEU 847           H        LEU  37   6.434   4.972   3.922
  251    HA   LEU 847           HA       LEU  37   3.914   4.527   5.344
  252    HB2  LEU 847           HB2      LEU  37   6.724   5.153   6.232
  253    HB3  LEU 847           HB3      LEU  37   5.382   5.549   7.272
  254    HG   LEU 847           HG       LEU  37   4.671   2.974   6.775
  255   HD11  LEU 847          HD11      LEU  37   7.685   2.845   6.674
  256   HD12  LEU 847          HD12      LEU  37   6.672   2.671   5.216
  257   HD13  LEU 847          HD13      LEU  37   6.524   1.512   6.556
  258   HD21  LEU 847          HD21      LEU  37   6.796   3.949   8.609
  259   HD22  LEU 847          HD22      LEU  37   5.952   2.381   8.792
  260   HD23  LEU 847          HD23      LEU  37   5.046   3.900   8.950
  261    H    ASP 848           H        ASP  38   2.707   6.078   6.492
  262    HA   ASP 848           HA       ASP  38   3.198   8.893   5.840
  263    HB2  ASP 848           HB2      ASP  38   0.580   7.572   5.126
  264    HB3  ASP 848           HB3      ASP  38   0.941   9.299   5.117
  265    H    PHE 849           H        PHE  39   2.311  10.348   7.210
  266    HA   PHE 849           HA       PHE  39   0.543   9.384   9.394
  267    HB2  PHE 849           HB2      PHE  39   3.026  11.070   9.999
  268    HB3  PHE 849           HB3      PHE  39   1.837  10.477  11.087
  269    HD1  PHE 849           HD1      PHE  39   2.021   8.378  12.082
  270    HD2  PHE 849           HD2      PHE  39   4.524   9.289   8.675
  271    HE1  PHE 849           HE1      PHE  39   3.267   6.250  12.418
  272    HE2  PHE 849           HE2      PHE  39   5.728   7.223   9.027
  273    HZ   PHE 849           HZ       PHE  39   5.156   5.657  10.870
  274    H    CYS 850           H        CYS  40  -0.906  10.840  10.236
  275    HA   CYS 850           HA       CYS  40  -1.689  13.086   8.688
  276    HB2  CYS 850           HB2      CYS  40  -2.462  12.342  11.523
  277    HB3  CYS 850           HB3      CYS  40  -3.431  13.268  10.377
  278    H    ASP 851           H        ASP  41  -2.203  15.231   9.703
  279    HA   ASP 851           HA       ASP  41   0.002  16.717  10.598
  280    HB2  ASP 851           HB2      ASP  41  -1.509  18.478  10.933
  281    HB3  ASP 851           HB3      ASP  41  -2.137  17.572   9.574
  282    H    SER 852           H        SER  42  -2.365  14.906  12.501
  283    HA   SER 852           HA       SER  42  -1.417  15.945  15.056
  284    HB2  SER 852           HB2      SER  42  -3.810  15.555  14.647
  285    HB3  SER 852           HB3      SER  42  -3.485  13.828  14.395
  286    HG   SER 852           HG       SER  42  -3.249  15.353  16.793
  287    H    CYS 853           H        CYS  43  -1.346  12.764  13.343
  288    HA   CYS 853           HA       CYS  43  -0.107  11.504  15.608
  289    HB2  CYS 853           HB2      CYS  43  -0.663   9.532  14.617
  290    HB3  CYS 853           HB3      CYS  43  -1.966  10.633  14.158
  291    H    SER 854           H        SER  44   1.090  12.871  12.644
  292    HA   SER 854           HA       SER  44   3.634  11.541  12.579
  293    HB2  SER 854           HB2      SER  44   2.766  13.028  10.781
  294    HB3  SER 854           HB3      SER  44   3.061  14.419  11.811
  295    HG   SER 854           HG       SER  44   5.291  13.876  11.807
  296    H    ASP 855           H        ASP  45   2.324  13.338  15.106
  297    HA   ASP 855           HA       ASP  45   4.784  14.462  16.175
  298    HB2  ASP 855           HB2      ASP  45   2.459  15.291  16.721
  299    HB3  ASP 855           HB3      ASP  45   2.187  13.775  17.590
  300    H    CYS 856           H        CYS  46   3.655  11.289  15.713
  301    HA   CYS 856           HA       CYS  46   4.839  10.183  18.167
  302    HB2  CYS 856           HB2      CYS  46   2.613   9.387  17.531
  303    HB3  CYS 856           HB3      CYS  46   3.256   8.839  15.960
  304    HG   CYS 856           HG       CYS  46   2.859   6.764  17.504
  305    H    LEU 857           H        LEU  47   6.629   8.999  18.175
  306    HA   LEU 857           HA       LEU  47   8.274   8.859  15.710
  307    HB2  LEU 857           HB2      LEU  47   9.241   9.964  17.629
  308    HB3  LEU 857           HB3      LEU  47   9.048   8.524  18.628
  309    HG   LEU 857           HG       LEU  47  10.741   7.329  17.392
  310   HD11  LEU 857          HD11      LEU  47  11.902   8.468  15.417
  311   HD12  LEU 857          HD12      LEU  47  10.556   9.607  15.375
  312   HD13  LEU 857          HD13      LEU  47  10.263   7.865  15.101
  313   HD21  LEU 857          HD21      LEU  47  11.539   9.038  19.002
  314   HD22  LEU 857          HD22      LEU  47  11.624  10.235  17.688
  315   HD23  LEU 857          HD23      LEU  47  12.685   8.812  17.673
  316    H    HIS 858           H        HIS  48   6.913   7.297  14.802
  317    HA   HIS 858           HA       HIS  48   6.508   4.741  16.181
  318    HB2  HIS 858           HB2      HIS  48   4.626   5.981  15.093
  319    HB3  HIS 858           HB3      HIS  48   5.427   5.763  13.534
  320    HD2  HIS 858           HD2      HIS  48   4.318   3.829  12.194
  321    HE1  HIS 858           HE1      HIS  48   3.235   1.230  15.392
  322    HE2  HIS 858           HE2      HIS  48   3.183   1.553  12.872
  323    H    GLU 859           H        GLU  49   6.785   2.681  15.085
  324    HA   GLU 859           HA       GLU  49   8.765   2.548  12.927
  325    HB2  GLU 859           HB2      GLU  49   9.236   0.986  15.519
  326    HB3  GLU 859           HB3      GLU  49  10.346   1.227  14.221
  327    HG2  GLU 859           HG2      GLU  49  10.516   3.666  14.874
  328    HG3  GLU 859           HG3      GLU  49   9.451   3.299  16.224
  329    H    THR 860           H        THR  50   9.034   0.451  11.964
  330    HA   THR 860           HA       THR  50   6.978  -1.599  12.716
  331    HB   THR 860           HB       THR  50   6.318  -1.948  10.465
  332    HG1  THR 860           HG1      THR  50   7.181  -0.701   8.775
  333   HG21  THR 860          HG21      THR  50   6.315   1.062  10.905
  334   HG22  THR 860          HG22      THR  50   5.138  -0.080  11.573
  335   HG23  THR 860          HG23      THR  50   5.253   0.142   9.814
  336    H    ASP 861           H        ASP  51   7.777  -3.208  10.413
  337    HA   ASP 861           HA       ASP  51  10.118  -4.584  11.452
  338    HB2  ASP 861           HB2      ASP  51   8.115  -5.698  10.361
  339    HB3  ASP 861           HB3      ASP  51   8.602  -4.960   8.842
  340    H    ILE 862           H        ILE  52   9.435  -2.113   9.146
  341    HA   ILE 862           HA       ILE  52  12.197  -2.164   8.101
  342    HB   ILE 862           HB       ILE  52   9.615  -1.380   6.771
  343   HG12  ILE 862          HG12      ILE  52  11.878  -3.386   6.281
  344   HG13  ILE 862          HG13      ILE  52  10.254  -3.773   6.842
  345   HG21  ILE 862          HG21      ILE  52  11.236  -0.685   4.893
  346   HG22  ILE 862          HG22      ILE  52  12.498  -0.659   6.154
  347   HG23  ILE 862          HG23      ILE  52  11.098   0.428   6.256
  348   HD11  ILE 862          HD11      ILE  52  10.388  -4.337   4.548
  349   HD12  ILE 862          HD12      ILE  52  10.966  -2.716   4.111
  350   HD13  ILE 862          HD13      ILE  52   9.307  -2.942   4.751
  351    H    HIS 863           H        HIS  53   9.483  -0.105   9.197
  352    HA   HIS 863           HA       HIS  53  11.051   2.331   8.994
  353    HB2  HIS 863           HB2      HIS  53   8.699   2.591   8.830
  354    HB3  HIS 863           HB3      HIS  53   8.346   1.656  10.207
  355    HD1  HIS 863           HD1      HIS  53  11.078   4.424  10.896
  356    HD2  HIS 863           HD2      HIS  53   7.010   3.801  10.766
  357    HE1  HIS 863           HE1      HIS  53  10.064   6.682  10.799
  358    H    LYS 864           H        LYS  54  12.469   3.016  10.411
  359    HA   LYS 864           HA       LYS  54  11.928   2.382  13.262
  360    HB2  LYS 864           HB2      LYS  54  14.650   2.478  11.878
  361    HB3  LYS 864           HB3      LYS  54  14.337   2.208  13.577
  362    HG2  LYS 864           HG2      LYS  54  13.366   0.333  11.280
  363    HG3  LYS 864           HG3      LYS  54  14.837   0.098  12.156
  364    HD2  LYS 864           HD2      LYS  54  13.619  -0.294  14.265
  365    HD3  LYS 864           HD3      LYS  54  12.122   0.073  13.507
  366    HE2  LYS 864           HE2      LYS  54  12.157  -2.239  13.469
  367    HE3  LYS 864           HE3      LYS  54  12.563  -1.791  11.821
  368    HZ1  LYS 864           HZ1      LYS  54  14.042  -3.552  12.687
  369    HZ2  LYS 864           HZ2      LYS  54  14.537  -2.605  13.916
  370    HZ3  LYS 864           HZ3      LYS  54  14.930  -2.223  12.372
  371    H    GLU 865           H        GLU  55  13.013   3.807  14.804
  372    HA   GLU 865           HA       GLU  55  12.515   6.569  14.280
  373    HB2  GLU 865           HB2      GLU  55  13.219   6.890  16.555
  374    HB3  GLU 865           HB3      GLU  55  12.228   5.444  16.440
  375    HG2  GLU 865           HG2      GLU  55  14.435   4.118  16.411
  376    HG3  GLU 865           HG3      GLU  55  15.270   5.630  16.719
  377    H    ASP 866           H        ASP  56  14.970   4.898  13.019
  378    HA   ASP 866           HA       ASP  56  17.299   6.471  13.499
  379    HB2  ASP 866           HB2      ASP  56  17.154   4.135  12.569
  380    HB3  ASP 866           HB3      ASP  56  16.594   4.876  11.072
  381    H    HIS 867           H        HIS  57  14.407   6.910  11.483
  382    HA   HIS 867           HA       HIS  57  15.758   9.037   9.969
  383    HB2  HIS 867           HB2      HIS  57  14.672   8.541   8.212
  384    HB3  HIS 867           HB3      HIS  57  14.853   6.924   8.852
  385    HD1  HIS 867           HD1      HIS  57  12.413   9.552   7.756
  386    HD2  HIS 867           HD2      HIS  57  12.453   5.756   9.533
  387    HE1  HIS 867           HE1      HIS  57  10.060   8.701   7.562
  388    H    GLN 868           H        GLN  58  13.892  10.208   8.806
  389    HA   GLN 868           HA       GLN  58  12.367  11.856  10.705
  390    HB2  GLN 868           HB2      GLN  58  13.296  13.919   9.854
  391    HB3  GLN 868           HB3      GLN  58  14.580  12.911  10.508
  392    HG2  GLN 868           HG2      GLN  58  13.942  13.202   7.529
  393    HG3  GLN 868           HG3      GLN  58  15.171  14.119   8.383
  394   HE21  GLN 868          HE21      GLN  58  17.106  12.953   9.169
  395   HE22  GLN 868          HE22      GLN  58  17.456  11.366   8.503
  396    H    LEU 869           H        LEU  59  10.709  13.087   9.793
  397    HA   LEU 869           HA       LEU  59   9.556  11.990   7.272
  398    HB2  LEU 869           HB2      LEU  59   8.195  13.744   9.351
  399    HB3  LEU 869           HB3      LEU  59   7.453  12.792   8.065
  400    HG   LEU 869           HG       LEU  59   6.882  11.819  10.051
  401   HD11  LEU 869          HD11      LEU  59   9.101  10.105   8.972
  402   HD12  LEU 869          HD12      LEU  59   7.455  10.286   8.269
  403   HD13  LEU 869          HD13      LEU  59   7.665   9.563   9.865
  404   HD21  LEU 869          HD21      LEU  59   8.698  12.733  11.534
  405   HD22  LEU 869          HD22      LEU  59   9.730  11.381  10.990
  406   HD23  LEU 869          HD23      LEU  59   8.218  11.062  11.840
  407    H    GLU 870           H        GLU  60   8.551  13.241   5.708
  408    HA   GLU 870           HA       GLU  60   9.418  16.097   5.560
  409    HB2  GLU 870           HB2      GLU  60  10.169  14.450   3.789
  410    HB3  GLU 870           HB3      GLU  60   8.501  14.250   3.349
  411    HG2  GLU 870           HG2      GLU  60   9.658  15.741   1.863
  412    HG3  GLU 870           HG3      GLU  60   8.315  16.565   2.677
  413    HA   PRO 871           HA       PRO  61   4.931  16.911   5.887
  414    HB2  PRO 871           HB2      PRO  61   5.003  19.628   6.047
  415    HB3  PRO 871           HB3      PRO  61   5.393  18.575   7.424
  416    HG2  PRO 871           HG2      PRO  61   7.287  19.997   5.547
  417    HG3  PRO 871           HG3      PRO  61   7.417  19.801   7.322
  418    HD2  PRO 871           HD2      PRO  61   8.747  18.230   5.457
  419    HD3  PRO 871           HD3      PRO  61   8.345  17.673   7.102
  420    H    ILE 872           H        ILE  62   3.429  17.306   4.215
  421    HA   ILE 872           HA       ILE  62   4.415  18.719   1.768
  422    HB   ILE 872           HB       ILE  62   2.508  16.431   1.614
  423   HG12  ILE 872          HG12      ILE  62   4.507  15.425   2.739
  424   HG13  ILE 872          HG13      ILE  62   4.058  14.742   1.203
  425   HG21  ILE 872          HG21      ILE  62   3.326  16.312  -0.718
  426   HG22  ILE 872          HG22      ILE  62   4.477  17.622  -0.384
  427   HG23  ILE 872          HG23      ILE  62   2.744  17.925  -0.315
  428   HD11  ILE 872          HD11      ILE  62   6.544  15.062   1.564
  429   HD12  ILE 872          HD12      ILE  62   6.261  16.814   1.463
  430   HD13  ILE 872          HD13      ILE  62   5.910  15.778   0.068
  431    H    TYR 873           H        TYR  63   3.219  20.396   1.317
  432    HA   TYR 873           HA       TYR  63   0.611  20.715   2.640
  433    HB2  TYR 873           HB2      TYR  63   2.539  22.763   1.522
  434    HB3  TYR 873           HB3      TYR  63   1.014  23.096   2.332
  435    HD1  TYR 873           HD1      TYR  63   0.668  22.481   4.740
  436    HD2  TYR 873           HD2      TYR  63   4.539  22.222   2.854
  437    HE1  TYR 873           HE1      TYR  63   1.744  22.476   6.967
  438    HE2  TYR 873           HE2      TYR  63   5.620  22.209   5.096
  439    HH   TYR 873           HH       TYR  63   3.744  22.485   8.133
  440    H    ARG 874           H        ARG  64   1.219  19.268   0.068
  441    HA   ARG 874           HA       ARG  64  -0.971  20.297  -1.567
  442    HB2  ARG 874           HB2      ARG  64   1.873  19.970  -2.620
  443    HB3  ARG 874           HB3      ARG  64   0.469  20.090  -3.670
  444    HG2  ARG 874           HG2      ARG  64   1.427  22.281  -1.776
  445    HG3  ARG 874           HG3      ARG  64   1.677  22.205  -3.514
  446    HD2  ARG 874           HD2      ARG  64  -0.723  22.292  -3.950
  447    HD3  ARG 874           HD3      ARG  64  -1.087  22.306  -2.235
  448    HE   ARG 874           HE       ARG  64   0.075  24.505  -3.854
  449   HH11  ARG 874          HH11      ARG  64  -0.840  23.544  -0.595
  450   HH12  ARG 874          HH12      ARG  64  -1.400  25.170  -0.208
  451   HH21  ARG 874          HH21      ARG  64  -0.424  26.571  -3.163
  452   HH22  ARG 874          HH22      ARG  64  -1.000  26.821  -1.536
  453    H1   ALA   1           H1       ALA  65   1.658   5.556   3.709
  454    H2   ALA   1           H2       ALA  65   1.477   4.775   5.158
  455    H3   ALA   1           H3       ALA  65   0.170   5.429   4.393
  456    HA   ALA   1           HA       ALA  65   1.792   3.214   3.429
  457    HB1  ALA   1           HB1      ALA  65   0.338   2.542   5.299
  458    HB2  ALA   1           HB2      ALA  65  -0.170   1.805   3.777
  459    HB3  ALA   1           HB3      ALA  65  -1.080   3.184   4.438
  460    H    ARG   2           H        ARG  66   1.741   2.905   1.312
  461    HA   ARG   2           HA       ARG  66   0.321   4.657  -0.448
  462    HB2  ARG   2           HB2      ARG  66   1.011   2.927  -2.245
  463    HB3  ARG   2           HB3      ARG  66   2.207   3.906  -1.440
  464    HG2  ARG   2           HG2      ARG  66   2.965   1.620  -1.818
  465    HG3  ARG   2           HG3      ARG  66   3.009   2.068  -0.123
  466    HD2  ARG   2           HD2      ARG  66   0.989   0.728   0.319
  467    HD3  ARG   2           HD3      ARG  66   0.863   0.343  -1.413
  468    HE   ARG   2           HE       ARG  66   3.467  -0.398  -0.472
  469   HH11  ARG   2          HH11      ARG  66   0.166  -1.551  -0.128
  470   HH12  ARG   2          HH12      ARG  66   0.693  -3.181   0.194
  471   HH21  ARG   2          HH21      ARG  66   4.054  -2.383  -0.059
  472   HH22  ARG   2          HH22      ARG  66   2.889  -3.665   0.232
  473    H    THR   3           H        THR  67  -1.639   4.746  -1.105
  474    HA   THR   3           HA       THR  67  -3.146   2.269  -1.833
  475    HB   THR   3           HB       THR  67  -5.248   3.394  -1.175
  476    HG1  THR   3           HG1      THR  67  -5.166   5.229   0.081
  477   HG21  THR   3          HG21      THR  67  -5.090   3.092   1.222
  478   HG22  THR   3          HG22      THR  67  -3.316   3.191   1.172
  479   HG23  THR   3          HG23      THR  67  -4.156   1.817   0.417
  480   HH31  ALY   4           H26      ALY  68   3.430  10.862  -7.415
  481   HH32  ALY   4           H27      ALY  68   3.708  11.484  -5.771
  482   HH33  ALY   4           H28      ALY  68   2.939  12.521  -7.002
  483    HZ   ALY   4           HZ1      ALY  68   2.529   9.255  -5.664
  484    HE3  ALY   4           HE3      ALY  68   0.707   8.438  -4.390
  485    HE2  ALY   4           HE2      ALY  68  -0.307   9.786  -4.940
  486    HD3  ALY   4           HD3      ALY  68  -0.315   8.818  -7.234
  487    HD2  ALY   4           HD2      ALY  68   0.643   7.448  -6.663
  488    HG3  ALY   4           HG3      ALY  68  -2.156   8.190  -5.691
  489    HG2  ALY   4           HG2      ALY  68  -1.754   6.954  -6.878
  490    HB3  ALY   4           HB3      ALY  68  -0.292   5.885  -4.993
  491    HB2  ALY   4           HB2      ALY  68  -1.147   6.960  -3.876
  492    HA   ALY   4           HA       ALY  68  -3.326   6.005  -4.854
  493    H    ALY   4           H        ALY  68  -1.479   4.664  -3.091
  494    H    GLN   5           H        GLN  69  -4.301   5.033  -6.524
  495    HA   GLN   5           HA       GLN  69  -3.293   2.665  -7.858
  496    HB2  GLN   5           HB2      GLN  69  -5.541   4.601  -8.565
  497    HB3  GLN   5           HB3      GLN  69  -5.233   3.099  -9.422
  498    HG2  GLN   5           HG2      GLN  69  -5.960   3.299  -6.464
  499    HG3  GLN   5           HG3      GLN  69  -7.075   2.922  -7.768
  500   HE21  GLN   5          HE21      GLN  69  -6.901   1.130  -5.677
  501   HE22  GLN   5          HE22      GLN  69  -6.087  -0.320  -6.245
  502    H    THR   6           H        THR  70  -2.775   2.443 -10.109
  503    HA   THR   6           HA       THR  70  -0.829   4.383 -11.043
  504    HB   THR   6           HB       THR  70  -1.963   1.879 -12.335
  505    HG1  THR   6           HG1      THR  70  -0.641   1.536 -10.512
  506   HG21  THR   6          HG21      THR  70  -1.141   3.235 -14.165
  507   HG22  THR   6          HG22      THR  70   0.064   2.002 -13.809
  508   HG23  THR   6          HG23      THR  70   0.330   3.670 -13.248
  509    H    ALA   7           H        ALA  71  -1.129   6.135 -12.295
  510    HA   ALA   7           HA       ALA  71  -3.784   6.872 -13.175
  511    HB1  ALA   7           HB1      ALA  71  -2.176   8.443 -12.169
  512    HB2  ALA   7           HB2      ALA  71  -2.672   8.979 -13.782
  513    HB3  ALA   7           HB3      ALA  71  -1.078   8.224 -13.552
  514    H    ARG   8           H        ARG  72  -1.138   5.338 -14.826
  515    HA   ARG   8           HA       ARG  72  -1.642   6.202 -17.532
  516    HB2  ARG   8           HB2      ARG  72  -0.209   3.739 -16.458
  517    HB3  ARG   8           HB3      ARG  72  -0.235   4.241 -18.149
  518    HG2  ARG   8           HG2      ARG  72   0.848   6.394 -17.542
  519    HG3  ARG   8           HG3      ARG  72   0.936   5.886 -15.850
  520    HD2  ARG   8           HD2      ARG  72   2.273   4.453 -18.182
  521    HD3  ARG   8           HD3      ARG  72   3.064   5.579 -17.094
  522    HE   ARG   8           HE       ARG  72   2.830   4.061 -15.264
  523   HH11  ARG   8          HH11      ARG  72   2.026   2.526 -18.315
  524   HH12  ARG   8          HH12      ARG  72   2.249   0.926 -17.662
  525   HH21  ARG   8          HH21      ARG  72   3.094   2.001 -14.512
  526   HH22  ARG   8          HH22      ARG  72   2.841   0.646 -15.571
  Start of MODEL   14
    1    H1   GLY 811           H1       GLY   1  -5.483  24.886  -3.268
    2    H2   GLY 811           H2       GLY   1  -6.697  25.832  -2.699
    3    H3   GLY 811           H3       GLY   1  -7.037  24.467  -3.535
    4    HA2  GLY 811           HA2      GLY   1  -7.430  24.061  -1.188
    5    HA3  GLY 811           HA3      GLY   1  -6.107  23.071  -1.808
    6    HA   PRO 812           HA       PRO   2  -4.607  26.661   1.184
    7    HB2  PRO 812           HB2      PRO   2  -6.235  25.551   3.471
    8    HB3  PRO 812           HB3      PRO   2  -5.731  27.237   3.152
    9    HG2  PRO 812           HG2      PRO   2  -8.254  26.458   2.590
   10    HG3  PRO 812           HG3      PRO   2  -7.354  27.471   1.415
   11    HD2  PRO 812           HD2      PRO   2  -7.766  24.471   1.370
   12    HD3  PRO 812           HD3      PRO   2  -7.957  25.664   0.048
   13    H    LEU 813           H        LEU   3  -2.839  26.445   2.536
   14    HA   LEU 813           HA       LEU   3  -1.415  24.002   2.521
   15    HB2  LEU 813           HB2      LEU   3  -1.011  26.654   3.955
   16    HB3  LEU 813           HB3      LEU   3   0.098  25.312   4.163
   17    HG   LEU 813           HG       LEU   3   0.622  25.275   1.760
   18   HD11  LEU 813          HD11      LEU   3  -1.346  26.261   0.708
   19   HD12  LEU 813          HD12      LEU   3   0.062  27.251   0.361
   20   HD13  LEU 813          HD13      LEU   3  -1.096  27.792   1.592
   21   HD21  LEU 813          HD21      LEU   3   1.958  27.332   1.793
   22   HD22  LEU 813          HD22      LEU   3   1.969  26.548   3.380
   23   HD23  LEU 813          HD23      LEU   3   0.953  27.977   3.115
   24    H    GLY 814           H        GLY   4  -3.628  25.170   4.956
   25    HA2  GLY 814           HA2      GLY   4  -2.840  23.073   6.921
   26    HA3  GLY 814           HA3      GLY   4  -3.977  24.392   7.178
   27    H    SER 815           H        SER   5  -4.580  22.860   4.198
   28    HA   SER 815           HA       SER   5  -6.707  21.106   5.244
   29    HB2  SER 815           HB2      SER   5  -7.148  23.311   3.204
   30    HB3  SER 815           HB3      SER   5  -8.374  22.194   3.817
   31    HG   SER 815           HG       SER   5  -8.201  23.161   5.858
   32    H    VAL 816           H        VAL   6  -4.099  20.753   3.725
   33    HA   VAL 816           HA       VAL   6  -4.469  20.183   0.989
   34    HB   VAL 816           HB       VAL   6  -2.457  19.214   3.074
   35   HG11  VAL 816          HG11      VAL   6  -2.124  19.427   0.090
   36   HG12  VAL 816          HG12      VAL   6  -2.265  17.937   1.075
   37   HG13  VAL 816          HG13      VAL   6  -0.870  19.006   1.288
   38   HG21  VAL 816          HG21      VAL   6  -1.077  21.050   2.538
   39   HG22  VAL 816          HG22      VAL   6  -2.628  21.734   2.930
   40   HG23  VAL 816          HG23      VAL   6  -2.161  21.609   1.225
   41    H    GLN 817           H        GLN   7  -5.255  18.467  -0.054
   42    HA   GLN 817           HA       GLN   7  -5.772  15.971   1.452
   43    HB2  GLN 817           HB2      GLN   7  -6.954  15.312  -0.498
   44    HB3  GLN 817           HB3      GLN   7  -7.456  16.935  -0.065
   45    HG2  GLN 817           HG2      GLN   7  -7.090  17.531  -2.181
   46    HG3  GLN 817           HG3      GLN   7  -5.386  17.455  -1.864
   47   HE21  GLN 817          HE21      GLN   7  -7.704  16.290  -4.031
   48   HE22  GLN 817          HE22      GLN   7  -6.821  14.876  -4.565
   49    H    HIS 818           H        HIS   8  -4.594  14.143   1.232
   50    HA   HIS 818           HA       HIS   8  -2.666  13.873  -1.044
   51    HB2  HIS 818           HB2      HIS   8  -2.134  13.621   1.858
   52    HB3  HIS 818           HB3      HIS   8  -1.546  12.297   0.873
   53    HD2  HIS 818           HD2      HIS   8  -1.128  16.106   1.103
   54    HE1  HIS 818           HE1      HIS   8   1.862  14.720  -1.563
   55    HE2  HIS 818           HE2      HIS   8   0.875  16.775  -0.463
   56    H    VAL 819           H        VAL   9  -4.712  13.168  -1.978
   57    HA   VAL 819           HA       VAL   9  -5.771  10.539  -1.546
   58    HB   VAL 819           HB       VAL   9  -5.653  12.337  -3.930
   59   HG11  VAL 819          HG11      VAL   9  -7.091   9.659  -3.739
   60   HG12  VAL 819          HG12      VAL   9  -5.764  10.070  -4.858
   61   HG13  VAL 819          HG13      VAL   9  -7.321  10.888  -5.003
   62   HG21  VAL 819          HG21      VAL   9  -7.140  12.969  -2.012
   63   HG22  VAL 819          HG22      VAL   9  -7.915  11.374  -2.101
   64   HG23  VAL 819          HG23      VAL   9  -8.080  12.531  -3.441
   65    H    GLY 820           H        GLY  10  -4.985   8.595  -1.861
   66    HA2  GLY 820           HA2      GLY  10  -3.553   6.938  -2.726
   67    HA3  GLY 820           HA3      GLY  10  -2.476   8.176  -3.370
   68    H    PHE 821           H        PHE  11  -3.075   9.114  -0.162
   69    HA   PHE 821           HA       PHE  11  -0.946   7.320   0.958
   70    HB2  PHE 821           HB2      PHE  11  -1.100  10.288   1.428
   71    HB3  PHE 821           HB3      PHE  11   0.164   9.185   1.913
   72    HD1  PHE 821           HD1      PHE  11  -1.428  10.829  -1.032
   73    HD2  PHE 821           HD2      PHE  11   2.117   9.015   0.593
   74    HE1  PHE 821           HE1      PHE  11  -0.128  11.775  -2.886
   75    HE2  PHE 821           HE2      PHE  11   3.419   9.863  -1.357
   76    HZ   PHE 821           HZ       PHE  11   2.306  11.362  -3.020
   77    H    LYS 822           H        LYS  12  -2.420   6.129   2.054
   78    HA   LYS 822           HA       LYS  12  -4.187   7.314   4.165
   79    HB2  LYS 822           HB2      LYS  12  -5.261   5.603   3.134
   80    HB3  LYS 822           HB3      LYS  12  -3.857   4.694   2.795
   81    HG2  LYS 822           HG2      LYS  12  -4.521   4.810   5.744
   82    HG3  LYS 822           HG3      LYS  12  -5.775   4.171   4.725
   83    HD2  LYS 822           HD2      LYS  12  -4.165   2.528   3.748
   84    HD3  LYS 822           HD3      LYS  12  -2.891   3.234   4.760
   85    HE2  LYS 822           HE2      LYS  12  -3.697   1.152   5.689
   86    HE3  LYS 822           HE3      LYS  12  -3.951   2.520   6.779
   87    HZ1  LYS 822           HZ1      LYS  12  -6.301   2.511   6.252
   88    HZ2  LYS 822           HZ2      LYS  12  -5.907   0.968   6.606
   89    HZ3  LYS 822           HZ3      LYS  12  -6.116   1.397   5.047
   90    H    CYS 823           H        CYS  13  -3.635   7.149   6.349
   91    HA   CYS 823           HA       CYS  13  -0.848   7.224   6.999
   92    HB2  CYS 823           HB2      CYS  13  -2.309   8.738   8.040
   93    HB3  CYS 823           HB3      CYS  13  -3.468   7.482   8.416
   94    H    ASP 824           H        ASP  14   0.210   6.081   8.614
   95    HA   ASP 824           HA       ASP  14  -0.289   3.137   8.758
   96    HB2  ASP 824           HB2      ASP  14   2.158   4.865   9.251
   97    HB3  ASP 824           HB3      ASP  14   2.064   3.186   9.744
   98    H    ASN 825           H        ASN  15   0.138   5.998  10.878
   99    HA   ASN 825           HA       ASN  15   0.185   4.498  13.366
  100    HB2  ASN 825           HB2      ASN  15   0.996   6.805  13.252
  101    HB3  ASN 825           HB3      ASN  15  -0.635   7.372  12.816
  102   HD21  ASN 825          HD21      ASN  15  -2.119   7.685  14.486
  103   HD22  ASN 825          HD22      ASN  15  -1.633   7.543  16.177
  104    H    CYS 826           H        CYS  16  -2.457   6.415  11.859
  105    HA   CYS 826           HA       CYS  16  -4.428   5.269  13.654
  106    HB2  CYS 826           HB2      CYS  16  -4.893   7.213  11.382
  107    HB3  CYS 826           HB3      CYS  16  -5.826   7.036  12.856
  108    H    GLY 827           H        GLY  17  -3.491   4.947  10.288
  109    HA2  GLY 827           HA2      GLY  17  -4.056   3.357   8.801
  110    HA3  GLY 827           HA3      GLY  17  -5.363   2.767   9.797
  111    H    ILE 828           H        ILE  18  -5.512   6.163   9.670
  112    HA   ILE 828           HA       ILE  18  -7.994   6.177   8.367
  113    HB   ILE 828           HB       ILE  18  -7.439   7.831   9.996
  114   HG12  ILE 828          HG12      ILE  18  -7.675   9.278   7.313
  115   HG13  ILE 828          HG13      ILE  18  -9.001   8.429   8.040
  116   HG21  ILE 828          HG21      ILE  18  -5.345   8.984   8.092
  117   HG22  ILE 828          HG22      ILE  18  -4.990   8.088   9.572
  118   HG23  ILE 828          HG23      ILE  18  -5.829   9.609   9.679
  119   HD11  ILE 828          HD11      ILE  18  -7.627  10.873   9.194
  120   HD12  ILE 828          HD12      ILE  18  -8.845   9.908  10.065
  121   HD13  ILE 828          HD13      ILE  18  -9.268  10.743   8.555
  122    H    GLU 829           H        GLU  19  -8.618   6.752   6.394
  123    HA   GLU 829           HA       GLU  19  -7.060   6.068   4.126
  124    HB2  GLU 829           HB2      GLU  19  -9.395   7.778   3.744
  125    HB3  GLU 829           HB3      GLU  19  -8.996   6.256   2.965
  126    HG2  GLU 829           HG2      GLU  19 -10.379   6.598   5.625
  127    HG3  GLU 829           HG3      GLU  19 -11.060   5.980   4.126
  128    HA   PRO 830           HA       PRO  20  -4.974   9.253   2.145
  129    HB2  PRO 830           HB2      PRO  20  -7.568  10.459   1.140
  130    HB3  PRO 830           HB3      PRO  20  -5.925  10.557   0.431
  131    HG2  PRO 830           HG2      PRO  20  -7.627   8.611  -0.365
  132    HG3  PRO 830           HG3      PRO  20  -5.894   8.248  -0.068
  133    HD2  PRO 830           HD2      PRO  20  -8.306   7.700   1.615
  134    HD3  PRO 830           HD3      PRO  20  -6.768   6.781   1.544
  135    H    ILE 831           H        ILE  21  -3.939  10.444   3.524
  136    HA   ILE 831           HA       ILE  21  -4.965  11.812   5.694
  137    HB   ILE 831           HB       ILE  21  -2.319  12.078   4.242
  138   HG12  ILE 831          HG12      ILE  21  -2.859  10.713   6.911
  139   HG13  ILE 831          HG13      ILE  21  -3.137   9.856   5.420
  140   HG21  ILE 831          HG21      ILE  21  -3.073  13.251   6.958
  141   HG22  ILE 831          HG22      ILE  21  -2.536  14.151   5.527
  142   HG23  ILE 831          HG23      ILE  21  -1.416  13.086   6.374
  143   HD11  ILE 831          HD11      ILE  21  -0.916   9.350   6.256
  144   HD12  ILE 831          HD12      ILE  21  -0.469  11.055   6.205
  145   HD13  ILE 831          HD13      ILE  21  -0.832  10.190   4.694
  146    H    GLN 832           H        GLN  22  -5.481  13.804   6.302
  147    HA   GLN 832           HA       GLN  22  -5.721  15.878   4.168
  148    HB2  GLN 832           HB2      GLN  22  -7.522  15.410   6.569
  149    HB3  GLN 832           HB3      GLN  22  -7.720  16.643   5.325
  150    HG2  GLN 832           HG2      GLN  22  -7.858  13.627   4.851
  151    HG3  GLN 832           HG3      GLN  22  -9.230  14.689   5.033
  152   HE21  GLN 832          HE21      GLN  22  -7.774  13.045   2.692
  153   HE22  GLN 832          HE22      GLN  22  -8.099  14.151   1.348
  154    H    GLY 833           H        GLY  23  -5.103  17.890   4.543
  155    HA2  GLY 833           HA2      GLY  23  -4.941  19.832   6.035
  156    HA3  GLY 833           HA3      GLY  23  -4.247  18.805   7.243
  157    H    VAL 834           H        VAL  24  -2.353  17.554   6.511
  158    HA   VAL 834           HA       VAL  24  -0.411  18.651   4.676
  159    HB   VAL 834           HB       VAL  24  -0.282  19.998   6.795
  160   HG11  VAL 834          HG11      VAL  24   0.540  19.097   8.838
  161   HG12  VAL 834          HG12      VAL  24   0.665  17.469   8.121
  162   HG13  VAL 834          HG13      VAL  24  -0.936  18.241   8.347
  163   HG21  VAL 834          HG21      VAL  24   2.151  18.232   6.253
  164   HG22  VAL 834          HG22      VAL  24   2.172  19.751   7.167
  165   HG23  VAL 834          HG23      VAL  24   1.762  19.786   5.457
  166    H    ARG 835           H        ARG  25   0.932  16.876   4.060
  167    HA   ARG 835           HA       ARG  25   0.301  14.279   5.443
  168    HB2  ARG 835           HB2      ARG  25  -0.119  14.571   2.977
  169    HB3  ARG 835           HB3      ARG  25   1.629  14.553   2.728
  170    HG2  ARG 835           HG2      ARG  25   0.454  12.307   4.363
  171    HG3  ARG 835           HG3      ARG  25  -0.111  12.383   2.717
  172    HD2  ARG 835           HD2      ARG  25   2.766  12.046   3.593
  173    HD3  ARG 835           HD3      ARG  25   1.688  10.847   2.869
  174    HE   ARG 835           HE       ARG  25   1.777  12.871   0.961
  175   HH11  ARG 835          HH11      ARG  25   3.801  10.325   2.169
  176   HH12  ARG 835          HH12      ARG  25   5.120  10.665   1.083
  177   HH21  ARG 835          HH21      ARG  25   3.481  13.214  -0.554
  178   HH22  ARG 835          HH22      ARG  25   4.875  12.180  -0.492
  179    H    TRP 836           H        TRP  26   2.148  12.801   5.770
  180    HA   TRP 836           HA       TRP  26   4.680  14.292   6.239
  181    HB2  TRP 836           HB2      TRP  26   3.333  12.480   8.258
  182    HB3  TRP 836           HB3      TRP  26   4.997  12.910   8.282
  183    HD1  TRP 836           HD1      TRP  26   1.619  14.661   8.746
  184    HE1  TRP 836           HE1      TRP  26   2.036  16.899   9.995
  185    HE3  TRP 836           HE3      TRP  26   6.692  14.833   8.468
  186    HZ2  TRP 836           HZ2      TRP  26   4.284  18.286  11.106
  187    HZ3  TRP 836           HZ3      TRP  26   7.988  16.510   9.753
  188    HH2  TRP 836           HH2      TRP  26   6.798  18.232  11.102
  189    H    HIS 837           H        HIS  27   6.024  13.506   4.914
  190    HA   HIS 837           HA       HIS  27   5.861  10.689   3.889
  191    HB2  HIS 837           HB2      HIS  27   6.010  12.639   2.272
  192    HB3  HIS 837           HB3      HIS  27   7.518  13.100   3.009
  193    HD2  HIS 837           HD2      HIS  27   9.715  11.895   2.249
  194    HE1  HIS 837           HE1      HIS  27   7.983   8.966  -0.324
  195    HE2  HIS 837           HE2      HIS  27  10.169   9.999   0.474
  196    H    CYS 838           H        CYS  28   7.000   9.240   5.005
  197    HA   CYS 838           HA       CYS  28   9.081   9.902   6.786
  198    HB2  CYS 838           HB2      CYS  28   7.989   7.427   5.505
  199    HB3  CYS 838           HB3      CYS  28   9.608   7.359   6.223
  200    H    GLN 839           H        GLN  29  11.270  10.282   6.570
  201    HA   GLN 839           HA       GLN  29  12.275  10.626   3.880
  202    HB2  GLN 839           HB2      GLN  29  13.634  10.906   6.565
  203    HB3  GLN 839           HB3      GLN  29  14.357  11.395   5.055
  204    HG2  GLN 839           HG2      GLN  29  11.658  12.560   5.890
  205    HG3  GLN 839           HG3      GLN  29  13.150  13.177   6.553
  206   HE21  GLN 839          HE21      GLN  29  13.191  15.234   5.541
  207   HE22  GLN 839          HE22      GLN  29  13.186  15.419   3.798
  208    H    ASP 840           H        ASP  30  12.919   8.214   6.442
  209    HA   ASP 840           HA       ASP  30  15.087   7.003   4.795
  210    HB2  ASP 840           HB2      ASP  30  15.517   7.714   7.115
  211    HB3  ASP 840           HB3      ASP  30  14.260   6.637   7.678
  212    H    CYS 841           H        CYS  31  11.864   6.201   6.116
  213    HA   CYS 841           HA       CYS  31  11.938   3.418   5.548
  214    HB2  CYS 841           HB2      CYS  31   9.571   5.323   5.569
  215    HB3  CYS 841           HB3      CYS  31   9.480   3.582   5.491
  216    HA   PRO 842           HA       PRO  32  12.447   3.635   1.223
  217    HB2  PRO 842           HB2      PRO  32  11.960   1.109   0.344
  218    HB3  PRO 842           HB3      PRO  32  13.272   1.488   1.508
  219    HG2  PRO 842           HG2      PRO  32  10.472   0.479   2.128
  220    HG3  PRO 842           HG3      PRO  32  12.029  -0.176   2.713
  221    HD2  PRO 842           HD2      PRO  32  10.518   1.611   4.159
  222    HD3  PRO 842           HD3      PRO  32  12.296   1.547   4.251
  223    HA   PRO 843           HA       PRO  33   8.724   4.724  -0.964
  224    HB2  PRO 843           HB2      PRO  33  10.049   3.425  -3.360
  225    HB3  PRO 843           HB3      PRO  33   9.189   4.988  -3.262
  226    HG2  PRO 843           HG2      PRO  33  11.880   4.960  -3.206
  227    HG3  PRO 843           HG3      PRO  33  11.002   5.974  -2.011
  228    HD2  PRO 843           HD2      PRO  33  12.205   3.215  -1.621
  229    HD3  PRO 843           HD3      PRO  33  12.310   4.667  -0.578
  230    H    GLU 844           H        GLU  34   9.851   1.398  -1.498
  231    HA   GLU 844           HA       GLU  34   7.491   0.188  -2.464
  232    HB2  GLU 844           HB2      GLU  34   9.703  -0.875  -2.363
  233    HB3  GLU 844           HB3      GLU  34   9.645  -0.897  -0.593
  234    HG2  GLU 844           HG2      GLU  34   7.852  -2.520  -0.600
  235    HG3  GLU 844           HG3      GLU  34   7.573  -2.295  -2.331
  236    H    MET 845           H        MET  35   8.376   1.038   0.835
  237    HA   MET 845           HA       MET  35   5.889  -0.114   2.010
  238    HB2  MET 845           HB2      MET  35   8.354   1.204   3.211
  239    HB3  MET 845           HB3      MET  35   6.997   0.641   4.168
  240    HG2  MET 845           HG2      MET  35   8.570  -1.183   2.328
  241    HG3  MET 845           HG3      MET  35   8.971  -0.909   4.014
  242    HE1  MET 845           HE1      MET  35   7.678  -1.817   6.078
  243    HE2  MET 845           HE2      MET  35   6.106  -2.639   6.002
  244    HE3  MET 845           HE3      MET  35   6.208  -0.908   5.650
  245    H    SER 846           H        SER  36   7.515   3.037   1.622
  246    HA   SER 846           HA       SER  36   6.890   5.204   1.924
  247    HB2  SER 846           HB2      SER  36   6.010   4.680  -0.273
  248    HB3  SER 846           HB3      SER  36   4.466   4.185   0.436
  249    HG   SER 846           HG       SER  36   4.117   6.330   1.086
  250    H    LEU 847           H        LEU  37   6.814   5.176   4.203
  251    HA   LEU 847           HA       LEU  37   4.248   4.651   5.531
  252    HB2  LEU 847           HB2      LEU  37   7.048   5.165   6.519
  253    HB3  LEU 847           HB3      LEU  37   5.682   5.544   7.548
  254    HG   LEU 847           HG       LEU  37   4.859   3.076   7.021
  255   HD11  LEU 847          HD11      LEU  37   6.628   2.674   5.231
  256   HD12  LEU 847          HD12      LEU  37   6.552   1.481   6.546
  257   HD13  LEU 847          HD13      LEU  37   7.824   2.714   6.561
  258   HD21  LEU 847          HD21      LEU  37   7.189   3.803   8.669
  259   HD22  LEU 847          HD22      LEU  37   6.316   2.244   8.820
  260   HD23  LEU 847          HD23      LEU  37   5.470   3.775   9.148
  261    H    ASP 848           H        ASP  38   2.959   6.169   6.569
  262    HA   ASP 848           HA       ASP  38   3.466   8.991   5.930
  263    HB2  ASP 848           HB2      ASP  38   0.938   7.592   5.041
  264    HB3  ASP 848           HB3      ASP  38   1.300   9.310   4.923
  265    H    PHE 849           H        PHE  39   2.471  10.459   7.240
  266    HA   PHE 849           HA       PHE  39   0.552   9.460   9.279
  267    HB2  PHE 849           HB2      PHE  39   3.011  11.084  10.121
  268    HB3  PHE 849           HB3      PHE  39   1.768  10.428  11.088
  269    HD1  PHE 849           HD1      PHE  39   4.741   9.456   8.988
  270    HD2  PHE 849           HD2      PHE  39   1.606   8.120  11.637
  271    HE1  PHE 849           HE1      PHE  39   5.882   7.348   9.307
  272    HE2  PHE 849           HE2      PHE  39   2.785   5.935  11.916
  273    HZ   PHE 849           HZ       PHE  39   4.962   5.543  10.736
  274    H    CYS 850           H        CYS  40  -0.938  10.888  10.096
  275    HA   CYS 850           HA       CYS  40  -1.572  13.261   8.667
  276    HB2  CYS 850           HB2      CYS  40  -2.574  12.462  11.417
  277    HB3  CYS 850           HB3      CYS  40  -3.448  13.342  10.174
  278    H    ASP 851           H        ASP  41  -2.208  15.281  10.034
  279    HA   ASP 851           HA       ASP  41   0.081  16.701  10.795
  280    HB2  ASP 851           HB2      ASP  41  -1.368  18.466  11.313
  281    HB3  ASP 851           HB3      ASP  41  -2.154  17.599  10.006
  282    H    SER 852           H        SER  42  -2.158  14.891  12.845
  283    HA   SER 852           HA       SER  42  -0.939  15.823  15.331
  284    HB2  SER 852           HB2      SER  42  -3.373  15.571  15.142
  285    HB3  SER 852           HB3      SER  42  -3.180  13.838  14.828
  286    HG   SER 852           HG       SER  42  -3.645  14.309  17.052
  287    H    CYS 853           H        CYS  43  -1.114  12.724  13.506
  288    HA   CYS 853           HA       CYS  43   0.121  11.265  15.648
  289    HB2  CYS 853           HB2      CYS  43  -0.576   9.399  14.475
  290    HB3  CYS 853           HB3      CYS  43  -1.838  10.625  14.244
  291    H    SER 854           H        SER  44   1.280  12.836  12.814
  292    HA   SER 854           HA       SER  44   3.742  11.436  12.363
  293    HB2  SER 854           HB2      SER  44   4.503  13.533  11.400
  294    HB3  SER 854           HB3      SER  44   2.819  13.268  10.941
  295    HG   SER 854           HG       SER  44   3.050  15.380  11.659
  296    H    ASP 855           H        ASP  45   2.618  13.149  15.115
  297    HA   ASP 855           HA       ASP  45   5.298  13.704  16.192
  298    HB2  ASP 855           HB2      ASP  45   3.313  15.296  16.452
  299    HB3  ASP 855           HB3      ASP  45   2.611  14.097  17.541
  300    H    CYS 856           H        CYS  46   3.331  11.004  15.920
  301    HA   CYS 856           HA       CYS  46   3.477  10.126  18.696
  302    HB2  CYS 856           HB2      CYS  46   1.548   9.817  17.018
  303    HB3  CYS 856           HB3      CYS  46   2.484   8.481  16.340
  304    HG   CYS 856           HG       CYS  46   2.767   7.168  18.603
  305    H    LEU 857           H        LEU  47   5.520   9.838  16.058
  306    HA   LEU 857           HA       LEU  47   7.398   8.718  15.585
  307    HB2  LEU 857           HB2      LEU  47   7.933  10.024  17.604
  308    HB3  LEU 857           HB3      LEU  47   7.655   8.616  18.612
  309    HG   LEU 857           HG       LEU  47   9.578   7.474  17.778
  310   HD11  LEU 857          HD11      LEU  47  10.997   8.523  15.922
  311   HD12  LEU 857          HD12      LEU  47   9.607   9.547  15.556
  312   HD13  LEU 857          HD13      LEU  47   9.472   7.768  15.411
  313   HD21  LEU 857          HD21      LEU  47  11.387   9.073  18.225
  314   HD22  LEU 857          HD22      LEU  47  10.039   9.341  19.333
  315   HD23  LEU 857          HD23      LEU  47  10.278  10.435  17.951
  316    H    HIS 858           H        HIS  48   5.965   7.087  14.719
  317    HA   HIS 858           HA       HIS  48   5.649   4.581  16.194
  318    HB2  HIS 858           HB2      HIS  48   3.739   5.579  14.949
  319    HB3  HIS 858           HB3      HIS  48   4.673   5.481  13.455
  320    HD2  HIS 858           HD2      HIS  48   3.876   3.518  11.992
  321    HE1  HIS 858           HE1      HIS  48   2.802   0.706  15.010
  322    HE2  HIS 858           HE2      HIS  48   2.915   1.114  12.505
  323    H    GLU 859           H        GLU  49   6.147   2.499  15.143
  324    HA   GLU 859           HA       GLU  49   8.379   2.519  13.231
  325    HB2  GLU 859           HB2      GLU  49   8.609   0.999  15.885
  326    HB3  GLU 859           HB3      GLU  49   9.861   1.278  14.735
  327    HG2  GLU 859           HG2      GLU  49   9.815   3.744  15.326
  328    HG3  GLU 859           HG3      GLU  49   8.608   3.340  16.544
  329    H    THR 860           H        THR  50   8.864   0.470  12.283
  330    HA   THR 860           HA       THR  50   6.879  -1.719  12.754
  331    HB   THR 860           HB       THR  50   6.463  -2.036  10.448
  332    HG1  THR 860           HG1      THR  50   7.426  -0.716   8.868
  333   HG21  THR 860          HG21      THR  50   6.257   0.961  10.923
  334   HG22  THR 860          HG22      THR  50   5.069  -0.257  11.420
  335   HG23  THR 860          HG23      THR  50   5.387   0.007   9.690
  336    H    ASP 861           H        ASP  51   7.964  -3.266  10.579
  337    HA   ASP 861           HA       ASP  51  10.327  -4.429  11.805
  338    HB2  ASP 861           HB2      ASP  51   8.827  -5.055   9.300
  339    HB3  ASP 861           HB3      ASP  51  10.168  -6.001   9.900
  340    H    ILE 862           H        ILE  52   9.634  -2.053   9.419
  341    HA   ILE 862           HA       ILE  52  12.437  -1.981   8.514
  342    HB   ILE 862           HB       ILE  52   9.898  -0.761   7.346
  343   HG12  ILE 862          HG12      ILE  52  10.285  -3.123   6.729
  344   HG13  ILE 862          HG13      ILE  52  10.227  -2.009   5.400
  345   HG21  ILE 862          HG21      ILE  52  11.474   0.971   7.100
  346   HG22  ILE 862          HG22      ILE  52  11.552   0.071   5.570
  347   HG23  ILE 862          HG23      ILE  52  12.807  -0.160   6.821
  348   HD11  ILE 862          HD11      ILE  52  12.655  -2.097   5.128
  349   HD12  ILE 862          HD12      ILE  52  11.955  -3.721   5.085
  350   HD13  ILE 862          HD13      ILE  52  12.787  -3.167   6.557
  351    H    HIS 863           H        HIS  53   9.652  -0.042   9.608
  352    HA   HIS 863           HA       HIS  53  11.167   2.415   9.624
  353    HB2  HIS 863           HB2      HIS  53   8.840   2.551   9.203
  354    HB3  HIS 863           HB3      HIS  53   8.377   1.652  10.572
  355    HD1  HIS 863           HD1      HIS  53  10.934   4.492  11.508
  356    HD2  HIS 863           HD2      HIS  53   6.915   3.806  10.908
  357    HE1  HIS 863           HE1      HIS  53   9.896   6.739  11.310
  358    H    LYS 864           H        LYS  54  12.433   3.109  11.194
  359    HA   LYS 864           HA       LYS  54  11.528   2.523  13.970
  360    HB2  LYS 864           HB2      LYS  54  14.407   2.638  12.959
  361    HB3  LYS 864           HB3      LYS  54  13.850   2.338  14.593
  362    HG2  LYS 864           HG2      LYS  54  13.227   0.501  12.153
  363    HG3  LYS 864           HG3      LYS  54  14.578   0.262  13.176
  364    HD2  LYS 864           HD2      LYS  54  13.116  -0.185  15.140
  365    HD3  LYS 864           HD3      LYS  54  11.723   0.081  14.176
  366    HE2  LYS 864           HE2      LYS  54  11.882  -2.202  14.019
  367    HE3  LYS 864           HE3      LYS  54  12.654  -1.695  12.529
  368    HZ1  LYS 864           HZ1      LYS  54  14.837  -2.025  13.633
  369    HZ2  LYS 864           HZ2      LYS  54  13.965  -3.403  13.691
  370    HZ3  LYS 864           HZ3      LYS  54  14.102  -2.474  15.023
  371    H    GLU 865           H        GLU  55  12.357   3.991  15.604
  372    HA   GLU 865           HA       GLU  55  11.944   6.739  14.941
  373    HB2  GLU 865           HB2      GLU  55  12.266   7.122  17.285
  374    HB3  GLU 865           HB3      GLU  55  11.316   5.660  17.061
  375    HG2  GLU 865           HG2      GLU  55  13.499   4.350  17.419
  376    HG3  GLU 865           HG3      GLU  55  14.283   5.879  17.787
  377    H    ASP 866           H        ASP  56  14.546   5.051  14.094
  378    HA   ASP 866           HA       ASP  56  16.785   6.668  14.827
  379    HB2  ASP 866           HB2      ASP  56  16.792   4.295  13.979
  380    HB3  ASP 866           HB3      ASP  56  16.405   4.963  12.399
  381    H    HIS 867           H        HIS  57  14.175   6.976  12.431
  382    HA   HIS 867           HA       HIS  57  15.674   9.079  11.044
  383    HB2  HIS 867           HB2      HIS  57  14.738   8.614   9.200
  384    HB3  HIS 867           HB3      HIS  57  14.863   6.987   9.834
  385    HD1  HIS 867           HD1      HIS  57  12.531   9.636   8.572
  386    HD2  HIS 867           HD2      HIS  57  12.400   5.807  10.274
  387    HE1  HIS 867           HE1      HIS  57  10.229   8.783   8.096
  388    H    GLN 868           H        GLN  58  13.939  10.284   9.716
  389    HA   GLN 868           HA       GLN  58  12.288  11.943  11.492
  390    HB2  GLN 868           HB2      GLN  58  13.311  14.005  10.752
  391    HB3  GLN 868           HB3      GLN  58  14.485  12.963  11.539
  392    HG2  GLN 868           HG2      GLN  58  14.228  13.334   8.512
  393    HG3  GLN 868           HG3      GLN  58  15.366  14.175   9.542
  394   HE21  GLN 868          HE21      GLN  58  17.155  12.913  10.523
  395   HE22  GLN 868          HE22      GLN  58  17.555  11.359   9.808
  396    H    LEU 869           H        LEU  59  10.775  13.278  10.451
  397    HA   LEU 869           HA       LEU  59   9.721  12.173   7.877
  398    HB2  LEU 869           HB2      LEU  59   8.251  13.818   9.957
  399    HB3  LEU 869           HB3      LEU  59   7.583  12.901   8.607
  400    HG   LEU 869           HG       LEU  59   6.960  11.880  10.579
  401   HD11  LEU 869          HD11      LEU  59   9.142  10.181   9.395
  402   HD12  LEU 869          HD12      LEU  59   7.505  10.425   8.709
  403   HD13  LEU 869          HD13      LEU  59   7.703   9.614  10.266
  404   HD21  LEU 869          HD21      LEU  59   8.259  10.992  12.321
  405   HD22  LEU 869          HD22      LEU  59   8.792  12.666  12.107
  406   HD23  LEU 869          HD23      LEU  59   9.782  11.311  11.496
  407    H    GLU 870           H        GLU  60   8.780  13.451   6.305
  408    HA   GLU 870           HA       GLU  60   9.577  16.339   6.252
  409    HB2  GLU 870           HB2      GLU  60  10.366  14.691   4.460
  410    HB3  GLU 870           HB3      GLU  60   8.706  14.523   4.005
  411    HG2  GLU 870           HG2      GLU  60   9.478  16.000   2.491
  412    HG3  GLU 870           HG3      GLU  60   8.680  17.075   3.632
  413    HA   PRO 871           HA       PRO  61   5.030  16.985   6.471
  414    HB2  PRO 871           HB2      PRO  61   4.994  19.690   6.808
  415    HB3  PRO 871           HB3      PRO  61   5.399  18.570   8.130
  416    HG2  PRO 871           HG2      PRO  61   7.290  20.152   6.382
  417    HG3  PRO 871           HG3      PRO  61   7.366  19.894   8.152
  418    HD2  PRO 871           HD2      PRO  61   8.826  18.452   6.292
  419    HD3  PRO 871           HD3      PRO  61   8.361  17.796   7.884
  420    H    ILE 872           H        ILE  62   3.538  17.549   4.818
  421    HA   ILE 872           HA       ILE  62   4.666  18.878   2.392
  422    HB   ILE 872           HB       ILE  62   2.683  16.646   2.267
  423   HG12  ILE 872          HG12      ILE  62   4.681  15.621   3.361
  424   HG13  ILE 872          HG13      ILE  62   4.308  14.950   1.801
  425   HG21  ILE 872          HG21      ILE  62   2.925  18.185   0.342
  426   HG22  ILE 872          HG22      ILE  62   3.454  16.552  -0.091
  427   HG23  ILE 872          HG23      ILE  62   4.644  17.825   0.238
  428   HD11  ILE 872          HD11      ILE  62   6.142  16.095   0.745
  429   HD12  ILE 872          HD12      ILE  62   6.745  15.325   2.228
  430   HD13  ILE 872          HD13      ILE  62   6.437  17.075   2.197
  431    H    TYR 873           H        TYR  63   3.701  20.647   2.155
  432    HA   TYR 873           HA       TYR  63   1.082  21.206   3.337
  433    HB2  TYR 873           HB2      TYR  63   3.277  23.053   2.337
  434    HB3  TYR 873           HB3      TYR  63   1.778  23.571   3.075
  435    HD1  TYR 873           HD1      TYR  63   5.175  22.593   3.746
  436    HD2  TYR 873           HD2      TYR  63   1.213  22.735   5.451
  437    HE1  TYR 873           HE1      TYR  63   6.150  22.472   6.026
  438    HE2  TYR 873           HE2      TYR  63   2.189  22.597   7.733
  439    HH   TYR 873           HH       TYR  63   5.731  22.566   8.303
  440    H    ARG 874           H        ARG  64   1.669  19.861   0.658
  441    HA   ARG 874           HA       ARG  64  -0.292  21.260  -0.998
  442    HB2  ARG 874           HB2      ARG  64   1.254  21.481  -2.913
  443    HB3  ARG 874           HB3      ARG  64   1.657  22.525  -1.545
  444    HG2  ARG 874           HG2      ARG  64   3.521  21.064  -0.908
  445    HG3  ARG 874           HG3      ARG  64   3.078  19.902  -2.176
  446    HD2  ARG 874           HD2      ARG  64   3.424  21.628  -3.887
  447    HD3  ARG 874           HD3      ARG  64   3.863  22.795  -2.617
  448    HE   ARG 874           HE       ARG  64   5.542  20.487  -2.409
  449   HH11  ARG 874          HH11      ARG  64   7.651  20.494  -3.106
  450   HH12  ARG 874          HH12      ARG  64   8.185  21.673  -4.269
  451   HH21  ARG 874          HH21      ARG  64   5.136  23.223  -4.566
  452   HH22  ARG 874          HH22      ARG  64   6.802  23.183  -5.074
  453    H1   ALA   1           H1       ALA  65   1.885   5.665   3.788
  454    H2   ALA   1           H2       ALA  65   1.662   4.716   5.118
  455    H3   ALA   1           H3       ALA  65   0.366   5.411   4.374
  456    HA   ALA   1           HA       ALA  65   2.131   3.402   3.209
  457    HB1  ALA   1           HB1      ALA  65   0.745   2.392   4.935
  458    HB2  ALA   1           HB2      ALA  65   0.192   1.877   3.332
  459    HB3  ALA   1           HB3      ALA  65  -0.715   3.115   4.233
  460    H    ARG   2           H        ARG  66   2.279   3.595   1.117
  461    HA   ARG   2           HA       ARG  66   0.661   5.265  -0.511
  462    HB2  ARG   2           HB2      ARG  66   1.846   4.482  -2.380
  463    HB3  ARG   2           HB3      ARG  66   2.980   4.561  -1.065
  464    HG2  ARG   2           HG2      ARG  66   1.776   2.095  -2.378
  465    HG3  ARG   2           HG3      ARG  66   3.456   2.602  -2.373
  466    HD2  ARG   2           HD2      ARG  66   3.697   2.062  -0.014
  467    HD3  ARG   2           HD3      ARG  66   1.984   1.641   0.129
  468    HE   ARG   2           HE       ARG  66   4.122   0.010  -0.939
  469   HH11  ARG   2          HH11      ARG  66   0.360  -1.232  -1.514
  470   HH12  ARG   2          HH12      ARG  66   0.606   0.438  -1.073
  471   HH21  ARG   2          HH21      ARG  66   3.703  -2.049  -1.547
  472   HH22  ARG   2          HH22      ARG  66   2.070  -2.611  -1.786
  473    H    THR   3           H        THR  67  -1.231   5.112  -1.269
  474    HA   THR   3           HA       THR  67  -2.399   2.555  -2.280
  475    HB   THR   3           HB       THR  67  -4.633   3.462  -1.690
  476    HG1  THR   3           HG1      THR  67  -4.773   5.265  -0.390
  477   HG21  THR   3          HG21      THR  67  -3.428   1.947  -0.087
  478   HG22  THR   3          HG22      THR  67  -4.572   3.056   0.688
  479   HG23  THR   3          HG23      THR  67  -2.830   3.386   0.768
  480   HH31  ALY   4           H26      ALY  68   4.360  12.557  -6.712
  481   HH32  ALY   4           H27      ALY  68   3.696  12.403  -5.070
  482   HH33  ALY   4           H28      ALY  68   2.965  13.543  -6.230
  483    HZ   ALY   4           HZ1      ALY  68   1.172  12.065  -5.220
  484    HE3  ALY   4           HE3      ALY  68  -0.672  10.878  -6.029
  485    HE2  ALY   4           HE2      ALY  68   0.313  10.196  -7.335
  486    HD3  ALY   4           HD3      ALY  68   1.452   8.712  -5.677
  487    HD2  ALY   4           HD2      ALY  68   0.449   9.406  -4.388
  488    HG3  ALY   4           HG3      ALY  68  -1.599   8.610  -5.579
  489    HG2  ALY   4           HG2      ALY  68  -0.568   7.854  -6.808
  490    HB3  ALY   4           HB3      ALY  68   0.485   6.440  -5.033
  491    HB2  ALY   4           HB2      ALY  68  -0.502   7.246  -3.816
  492    HA   ALY   4           HA       ALY  68  -2.563   6.414  -5.102
  493    H    ALY   4           H        ALY  68  -0.747   4.859  -3.443
  494    H    GLN   5           H        GLN  69  -3.338   4.303  -6.082
  495    HA   GLN   5           HA       GLN  69  -1.741   2.868  -7.977
  496    HB2  GLN   5           HB2      GLN  69  -3.683   1.902  -6.864
  497    HB3  GLN   5           HB3      GLN  69  -4.750   3.108  -7.580
  498    HG2  GLN   5           HG2      GLN  69  -4.973   0.946  -8.707
  499    HG3  GLN   5           HG3      GLN  69  -4.411   2.184  -9.813
  500   HE21  GLN   5          HE21      GLN  69  -2.925   1.295 -11.239
  501   HE22  GLN   5          HE22      GLN  69  -1.733   0.072 -10.786
  502    H    THR   6           H        THR  70  -1.173   3.323 -10.021
  503    HA   THR   6           HA       THR  70  -2.194   5.677 -11.437
  504    HB   THR   6           HB       THR  70   0.189   4.995 -11.517
  505    HG1  THR   6           HG1      THR  70   0.361   5.537 -13.674
  506   HG21  THR   6          HG21      THR  70  -0.737   2.811 -13.435
  507   HG22  THR   6          HG22      THR  70  -0.080   2.524 -11.809
  508   HG23  THR   6          HG23      THR  70   0.937   3.261 -13.054
  509    H    ALA   7           H        ALA  71  -3.082   5.609 -13.630
  510    HA   ALA   7           HA       ALA  71  -5.381   3.898 -13.775
  511    HB1  ALA   7           HB1      ALA  71  -4.174   5.786 -15.838
  512    HB2  ALA   7           HB2      ALA  71  -5.376   6.211 -14.593
  513    HB3  ALA   7           HB3      ALA  71  -5.801   5.082 -15.896
  514    H    ARG   8           H        ARG  72  -5.941   2.291 -15.223
  515    HA   ARG   8           HA       ARG  72  -3.871   0.476 -16.102
  516    HB2  ARG   8           HB2      ARG  72  -5.624  -0.970 -16.816
  517    HB3  ARG   8           HB3      ARG  72  -6.024  -0.308 -15.235
  518    HG2  ARG   8           HG2      ARG  72  -7.568   1.339 -16.358
  519    HG3  ARG   8           HG3      ARG  72  -7.221   0.565 -17.916
  520    HD2  ARG   8           HD2      ARG  72  -8.414  -0.831 -15.488
  521    HD3  ARG   8           HD3      ARG  72  -9.346  -0.192 -16.855
  522    HE   ARG   8           HE       ARG  72  -7.463  -1.893 -18.006
  523   HH11  ARG   8          HH11      ARG  72  -7.820  -4.020 -18.544
  524   HH12  ARG   8          HH12      ARG  72  -9.096  -4.911 -17.769
  525   HH21  ARG   8          HH21      ARG  72 -10.128  -2.313 -15.778
  526   HH22  ARG   8          HH22      ARG  72 -10.375  -3.978 -16.236
  Start of MODEL   15
    1    H1   GLY 811           H1       GLY   1  -6.128  27.839   5.782
    2    H2   GLY 811           H2       GLY   1  -7.188  26.832   5.045
    3    H3   GLY 811           H3       GLY   1  -7.541  28.425   5.198
    4    HA2  GLY 811           HA2      GLY   1  -6.898  27.969   2.926
    5    HA3  GLY 811           HA3      GLY   1  -5.744  29.052   3.724
    6    HA   PRO 812           HA       PRO   2  -3.283  25.723   1.677
    7    HB2  PRO 812           HB2      PRO   2  -1.344  28.031   1.651
    8    HB3  PRO 812           HB3      PRO   2  -1.661  26.794   0.388
    9    HG2  PRO 812           HG2      PRO   2  -2.712  29.268   0.133
   10    HG3  PRO 812           HG3      PRO   2  -3.746  27.837  -0.197
   11    HD2  PRO 812           HD2      PRO   2  -3.592  29.485   2.351
   12    HD3  PRO 812           HD3      PRO   2  -5.037  28.958   1.426
   13    H    LEU 813           H        LEU   3  -1.076  24.886   2.120
   14    HA   LEU 813           HA       LEU   3   0.415  23.840   3.432
   15    HB2  LEU 813           HB2      LEU   3   0.282  26.141   5.386
   16    HB3  LEU 813           HB3      LEU   3   1.580  24.978   5.188
   17    HG   LEU 813           HG       LEU   3   0.788  27.107   3.151
   18   HD11  LEU 813          HD11      LEU   3   1.800  28.013   5.197
   19   HD12  LEU 813          HD12      LEU   3   2.888  28.172   3.806
   20   HD13  LEU 813          HD13      LEU   3   3.175  26.898   5.017
   21   HD21  LEU 813          HD21      LEU   3   1.777  25.153   2.024
   22   HD22  LEU 813          HD22      LEU   3   3.133  25.154   3.180
   23   HD23  LEU 813          HD23      LEU   3   2.924  26.500   2.040
   24    H    GLY 814           H        GLY   4  -2.506  24.811   5.080
   25    HA2  GLY 814           HA2      GLY   4  -2.342  22.448   6.904
   26    HA3  GLY 814           HA3      GLY   4  -3.370  23.862   7.110
   27    H    SER 815           H        SER   5  -3.542  22.910   3.850
   28    HA   SER 815           HA       SER   5  -5.899  21.192   4.321
   29    HB2  SER 815           HB2      SER   5  -6.474  23.638   4.337
   30    HB3  SER 815           HB3      SER   5  -6.025  23.696   2.628
   31    HG   SER 815           HG       SER   5  -7.668  22.164   2.201
   32    H    VAL 816           H        VAL   6  -3.214  20.625   3.002
   33    HA   VAL 816           HA       VAL   6  -3.718  20.144   0.212
   34    HB   VAL 816           HB       VAL   6  -1.704  19.042   2.199
   35   HG11  VAL 816          HG11      VAL   6  -1.677  17.579   0.360
   36   HG12  VAL 816          HG12      VAL   6  -0.235  18.601   0.328
   37   HG13  VAL 816          HG13      VAL   6  -1.561  18.960  -0.796
   38   HG21  VAL 816          HG21      VAL   6  -1.361  21.239   0.118
   39   HG22  VAL 816          HG22      VAL   6  -0.186  20.711   1.356
   40   HG23  VAL 816          HG23      VAL   6  -1.628  21.567   1.846
   41    H    GLN 817           H        GLN   7  -4.099  18.087  -0.807
   42    HA   GLN 817           HA       GLN   7  -5.288  15.991   0.981
   43    HB2  GLN 817           HB2      GLN   7  -7.119  15.824  -0.724
   44    HB3  GLN 817           HB3      GLN   7  -7.161  17.219   0.361
   45    HG2  GLN 817           HG2      GLN   7  -6.802  18.764  -1.250
   46    HG3  GLN 817           HG3      GLN   7  -5.814  17.708  -2.220
   47   HE21  GLN 817          HE21      GLN   7  -7.324  15.606  -3.072
   48   HE22  GLN 817          HE22      GLN   7  -8.814  16.188  -3.800
   49    H    HIS 818           H        HIS   8  -4.380  14.119   0.673
   50    HA   HIS 818           HA       HIS   8  -3.591  13.285  -2.119
   51    HB2  HIS 818           HB2      HIS   8  -2.279  12.784   0.563
   52    HB3  HIS 818           HB3      HIS   8  -2.019  11.755  -0.851
   53    HD2  HIS 818           HD2      HIS   8  -0.606  14.889   0.651
   54    HE1  HIS 818           HE1      HIS   8   0.453  15.059  -3.476
   55    HE2  HIS 818           HE2      HIS   8   0.836  16.094  -1.223
   56    H    VAL 819           H        VAL   9  -5.654  12.549  -2.545
   57    HA   VAL 819           HA       VAL   9  -6.999  10.574  -0.943
   58    HB   VAL 819           HB       VAL   9  -7.720  11.408  -3.738
   59   HG11  VAL 819          HG11      VAL   9  -8.736   9.261  -3.011
   60   HG12  VAL 819          HG12      VAL   9  -9.949  10.548  -2.979
   61   HG13  VAL 819          HG13      VAL   9  -9.193   9.991  -1.465
   62   HG21  VAL 819          HG21      VAL   9  -9.404  12.825  -2.575
   63   HG22  VAL 819          HG22      VAL   9  -7.766  13.360  -2.204
   64   HG23  VAL 819          HG23      VAL   9  -8.675  12.409  -1.008
   65    H    GLY 820           H        GLY  10  -5.217   9.236  -0.708
   66    HA2  GLY 820           HA2      GLY  10  -5.262   6.715  -1.630
   67    HA3  GLY 820           HA3      GLY  10  -4.340   7.500  -2.916
   68    H    PHE 821           H        PHE  11  -3.687   9.000   0.140
   69    HA   PHE 821           HA       PHE  11  -1.411   7.076   0.639
   70    HB2  PHE 821           HB2      PHE  11  -1.304  10.066   1.083
   71    HB3  PHE 821           HB3      PHE  11  -0.053   8.890   1.480
   72    HD1  PHE 821           HD1      PHE  11  -0.280   7.289  -1.261
   73    HD2  PHE 821           HD2      PHE  11   0.253  11.411  -0.139
   74    HE1  PHE 821           HE1      PHE  11   0.729   7.754  -3.462
   75    HE2  PHE 821           HE2      PHE  11   1.210  11.895  -2.374
   76    HZ   PHE 821           HZ       PHE  11   1.441  10.077  -4.046
   77    H    LYS 822           H        LYS  12  -2.404   5.883   2.084
   78    HA   LYS 822           HA       LYS  12  -4.105   6.918   4.231
   79    HB2  LYS 822           HB2      LYS  12  -4.726   4.932   3.072
   80    HB3  LYS 822           HB3      LYS  12  -3.169   4.314   3.110
   81    HG2  LYS 822           HG2      LYS  12  -4.478   4.517   5.819
   82    HG3  LYS 822           HG3      LYS  12  -5.295   3.541   4.627
   83    HD2  LYS 822           HD2      LYS  12  -3.057   2.325   4.229
   84    HD3  LYS 822           HD3      LYS  12  -2.494   3.133   5.721
   85    HE2  LYS 822           HE2      LYS  12  -4.481   2.102   6.900
   86    HE3  LYS 822           HE3      LYS  12  -4.902   1.288   5.386
   87    HZ1  LYS 822           HZ1      LYS  12  -2.790   0.077   5.493
   88    HZ2  LYS 822           HZ2      LYS  12  -3.642  -0.184   6.852
   89    HZ3  LYS 822           HZ3      LYS  12  -2.361   0.823   6.891
   90    H    CYS 823           H        CYS  13  -3.647   6.991   6.391
   91    HA   CYS 823           HA       CYS  13  -0.903   7.189   7.263
   92    HB2  CYS 823           HB2      CYS  13  -2.723   8.648   8.056
   93    HB3  CYS 823           HB3      CYS  13  -3.517   7.212   8.741
   94    H    ASP 824           H        ASP  14   0.254   5.854   8.403
   95    HA   ASP 824           HA       ASP  14  -0.576   3.038   8.836
   96    HB2  ASP 824           HB2      ASP  14   2.068   4.524   9.080
   97    HB3  ASP 824           HB3      ASP  14   1.852   2.855   9.588
   98    H    ASN 825           H        ASN  15  -0.137   5.951  10.710
   99    HA   ASN 825           HA       ASN  15  -0.229   4.583  13.323
  100    HB2  ASN 825           HB2      ASN  15   0.732   6.833  13.153
  101    HB3  ASN 825           HB3      ASN  15  -0.840   7.470  12.612
  102   HD21  ASN 825          HD21      ASN  15  -1.289   8.843  14.299
  103   HD22  ASN 825          HD22      ASN  15  -1.472   8.278  15.959
  104    H    CYS 826           H        CYS  16  -2.731   6.557  11.576
  105    HA   CYS 826           HA       CYS  16  -4.841   5.757  13.369
  106    HB2  CYS 826           HB2      CYS  16  -4.641   7.184  10.703
  107    HB3  CYS 826           HB3      CYS  16  -6.170   7.039  11.597
  108    H    GLY 827           H        GLY  17  -4.000   5.078  10.059
  109    HA2  GLY 827           HA2      GLY  17  -4.649   3.327   8.731
  110    HA3  GLY 827           HA3      GLY  17  -6.008   2.949   9.783
  111    H    ILE 828           H        ILE  18  -5.798   6.380   9.348
  112    HA   ILE 828           HA       ILE  18  -8.143   6.616   7.805
  113    HB   ILE 828           HB       ILE  18  -7.434   8.427   9.197
  114   HG12  ILE 828          HG12      ILE  18  -7.235   9.250   6.247
  115   HG13  ILE 828          HG13      ILE  18  -8.731   8.824   7.034
  116   HG21  ILE 828          HG21      ILE  18  -5.040   8.465   9.216
  117   HG22  ILE 828          HG22      ILE  18  -5.517   9.956   8.518
  118   HG23  ILE 828          HG23      ILE  18  -4.934   8.673   7.460
  119   HD11  ILE 828          HD11      ILE  18  -8.360  10.727   8.660
  120   HD12  ILE 828          HD12      ILE  18  -8.626  11.192   6.958
  121   HD13  ILE 828          HD13      ILE  18  -6.993  11.249   7.644
  122    H    GLU 829           H        GLU  19  -8.519   6.724   5.724
  123    HA   GLU 829           HA       GLU  19  -6.613   5.326   4.056
  124    HB2  GLU 829           HB2      GLU  19  -9.329   6.411   3.686
  125    HB3  GLU 829           HB3      GLU  19  -8.442   5.927   2.270
  126    HG2  GLU 829           HG2      GLU  19  -8.183   3.629   3.197
  127    HG3  GLU 829           HG3      GLU  19  -8.962   4.134   4.699
  128    HA   PRO 830           HA       PRO  20  -5.039   9.029   2.447
  129    HB2  PRO 830           HB2      PRO  20  -6.448  10.523   1.008
  130    HB3  PRO 830           HB3      PRO  20  -6.776   8.809   0.850
  131    HG2  PRO 830           HG2      PRO  20  -8.410  10.905   2.262
  132    HG3  PRO 830           HG3      PRO  20  -8.937   9.487   1.314
  133    HD2  PRO 830           HD2      PRO  20  -8.442   9.673   4.183
  134    HD3  PRO 830           HD3      PRO  20  -8.923   8.273   3.202
  135    H    ILE 831           H        ILE  21  -3.757  10.335   3.318
  136    HA   ILE 831           HA       ILE  21  -4.409  11.901   5.587
  137    HB   ILE 831           HB       ILE  21  -1.911  11.693   3.904
  138   HG12  ILE 831          HG12      ILE  21  -2.461  10.588   6.707
  139   HG13  ILE 831          HG13      ILE  21  -2.888   9.702   5.299
  140   HG21  ILE 831          HG21      ILE  21  -2.336  13.236   6.494
  141   HG22  ILE 831          HG22      ILE  21  -1.731  13.875   4.959
  142   HG23  ILE 831          HG23      ILE  21  -0.732  12.775   5.901
  143   HD11  ILE 831          HD11      ILE  21  -0.688   9.015   6.099
  144   HD12  ILE 831          HD12      ILE  21  -0.058  10.646   5.846
  145   HD13  ILE 831          HD13      ILE  21  -0.612   9.689   4.459
  146    H    GLN 832           H        GLN  22  -4.734  13.915   6.020
  147    HA   GLN 832           HA       GLN  22  -5.013  15.889   3.806
  148    HB2  GLN 832           HB2      GLN  22  -6.437  15.814   6.492
  149    HB3  GLN 832           HB3      GLN  22  -6.738  16.925   5.159
  150    HG2  GLN 832           HG2      GLN  22  -7.277  13.918   5.170
  151    HG3  GLN 832           HG3      GLN  22  -8.474  15.189   5.306
  152   HE21  GLN 832          HE21      GLN  22  -7.319  13.011   3.130
  153   HE22  GLN 832          HE22      GLN  22  -7.722  13.896   1.657
  154    H    GLY 833           H        GLY  23  -4.075  17.828   3.978
  155    HA2  GLY 833           HA2      GLY  23  -3.560  19.783   5.349
  156    HA3  GLY 833           HA3      GLY  23  -2.855  18.740   6.550
  157    H    VAL 834           H        VAL  24  -1.158  17.243   5.596
  158    HA   VAL 834           HA       VAL  24   0.708  18.248   3.617
  159    HB   VAL 834           HB       VAL  24   1.064  19.532   5.743
  160   HG11  VAL 834          HG11      VAL  24   1.937  16.939   6.982
  161   HG12  VAL 834          HG12      VAL  24   0.419  17.812   7.339
  162   HG13  VAL 834          HG13      VAL  24   1.981  18.564   7.710
  163   HG21  VAL 834          HG21      VAL  24   3.016  19.237   4.289
  164   HG22  VAL 834          HG22      VAL  24   3.351  17.640   5.020
  165   HG23  VAL 834          HG23      VAL  24   3.525  19.127   5.968
  166    H    ARG 835           H        ARG  25   1.894  16.400   2.824
  167    HA   ARG 835           HA       ARG  25   1.102  13.755   3.991
  168    HB2  ARG 835           HB2      ARG  25   1.325  14.043   1.485
  169    HB3  ARG 835           HB3      ARG  25   3.036  14.370   1.730
  170    HG2  ARG 835           HG2      ARG  25   3.228  12.084   2.833
  171    HG3  ARG 835           HG3      ARG  25   1.574  11.778   2.295
  172    HD2  ARG 835           HD2      ARG  25   2.355  12.184  -0.082
  173    HD3  ARG 835           HD3      ARG  25   4.006  12.367   0.542
  174    HE   ARG 835           HE       ARG  25   3.104   9.976   1.637
  175   HH11  ARG 835          HH11      ARG  25   3.885  10.921  -1.663
  176   HH12  ARG 835          HH12      ARG  25   4.271   9.270  -2.068
  177   HH21  ARG 835          HH21      ARG  25   3.545   8.114   1.126
  178   HH22  ARG 835          HH22      ARG  25   4.167   7.652  -0.446
  179    H    TRP 836           H        TRP  26   2.416  12.666   5.453
  180    HA   TRP 836           HA       TRP  26   5.218  13.677   5.787
  181    HB2  TRP 836           HB2      TRP  26   3.528  12.234   7.848
  182    HB3  TRP 836           HB3      TRP  26   5.223  12.445   7.922
  183    HD1  TRP 836           HD1      TRP  26   2.152  14.592   8.328
  184    HE1  TRP 836           HE1      TRP  26   2.909  16.851   9.396
  185    HE3  TRP 836           HE3      TRP  26   7.150  14.243   7.538
  186    HZ2  TRP 836           HZ2      TRP  26   5.383  18.091  10.137
  187    HZ3  TRP 836           HZ3      TRP  26   8.731  15.850   8.551
  188    HH2  TRP 836           HH2      TRP  26   7.869  17.776   9.882
  189    H    HIS 837           H        HIS  27   6.139  12.597   4.153
  190    HA   HIS 837           HA       HIS  27   5.678   9.665   3.777
  191    HB2  HIS 837           HB2      HIS  27   5.626  11.020   1.777
  192    HB3  HIS 837           HB3      HIS  27   7.151  11.812   2.199
  193    HD2  HIS 837           HD2      HIS  27   9.270  10.836   1.133
  194    HE1  HIS 837           HE1      HIS  27   7.866   6.942   0.100
  195    HE2  HIS 837           HE2      HIS  27   9.838   8.546  -0.051
  196    H    CYS 838           H        CYS  28   6.860   8.268   4.869
  197    HA   CYS 838           HA       CYS  28   9.159   8.869   6.373
  198    HB2  CYS 838           HB2      CYS  28   7.797   6.410   5.354
  199    HB3  CYS 838           HB3      CYS  28   9.473   6.272   5.915
  200    H    GLN 839           H        GLN  29  11.258   9.085   5.981
  201    HA   GLN 839           HA       GLN  29  12.164   9.148   3.217
  202    HB2  GLN 839           HB2      GLN  29  13.584   9.701   5.843
  203    HB3  GLN 839           HB3      GLN  29  14.314   9.915   4.267
  204    HG2  GLN 839           HG2      GLN  29  11.875  11.308   4.023
  205    HG3  GLN 839           HG3      GLN  29  12.382  11.669   5.662
  206   HE21  GLN 839          HE21      GLN  29  13.316  11.962   2.217
  207   HE22  GLN 839          HE22      GLN  29  14.467  13.251   2.532
  208    H    ASP 840           H        ASP  30  12.815   7.043   6.029
  209    HA   ASP 840           HA       ASP  30  14.973   5.648   4.534
  210    HB2  ASP 840           HB2      ASP  30  15.314   6.412   6.840
  211    HB3  ASP 840           HB3      ASP  30  13.988   5.379   7.378
  212    H    CYS 841           H        CYS  31  11.686   5.002   5.769
  213    HA   CYS 841           HA       CYS  31  11.755   2.204   5.384
  214    HB2  CYS 841           HB2      CYS  31   9.353   4.051   5.346
  215    HB3  CYS 841           HB3      CYS  31   9.324   2.303   5.476
  216    HA   PRO 842           HA       PRO  32  12.130   1.998   1.065
  217    HB2  PRO 842           HB2      PRO  32  10.562  -0.564   0.990
  218    HB3  PRO 842           HB3      PRO  32  12.231  -0.240   0.428
  219    HG2  PRO 842           HG2      PRO  32  11.768  -1.586   2.739
  220    HG3  PRO 842           HG3      PRO  32  13.076  -0.366   2.661
  221    HD2  PRO 842           HD2      PRO  32  10.256  -0.019   3.720
  222    HD3  PRO 842           HD3      PRO  32  11.801   0.427   4.469
  223    HA   PRO 843           HA       PRO  33   8.472   3.452  -1.163
  224    HB2  PRO 843           HB2      PRO  33   9.676   1.883  -3.464
  225    HB3  PRO 843           HB3      PRO  33   8.962   3.526  -3.473
  226    HG2  PRO 843           HG2      PRO  33  11.647   3.248  -3.411
  227    HG3  PRO 843           HG3      PRO  33  10.867   4.420  -2.295
  228    HD2  PRO 843           HD2      PRO  33  11.803   1.595  -1.711
  229    HD3  PRO 843           HD3      PRO  33  12.068   3.095  -0.770
  230    H    GLU 844           H        GLU  34   9.382   0.046  -1.422
  231    HA   GLU 844           HA       GLU  34   6.967  -1.140  -2.275
  232    HB2  GLU 844           HB2      GLU  34   9.150  -2.258  -2.057
  233    HB3  GLU 844           HB3      GLU  34   9.067  -2.143  -0.290
  234    HG2  GLU 844           HG2      GLU  34   7.128  -3.634  -0.235
  235    HG3  GLU 844           HG3      GLU  34   7.046  -3.660  -1.996
  236    H    MET 845           H        MET  35   7.865   0.034   0.924
  237    HA   MET 845           HA       MET  35   5.287  -0.850   2.145
  238    HB2  MET 845           HB2      MET  35   7.770   0.452   3.329
  239    HB3  MET 845           HB3      MET  35   6.320  -0.006   4.238
  240    HG2  MET 845           HG2      MET  35   8.036  -1.968   2.668
  241    HG3  MET 845           HG3      MET  35   8.241  -1.621   4.377
  242    HE1  MET 845           HE1      MET  35   5.202  -3.255   6.111
  243    HE2  MET 845           HE2      MET  35   5.420  -1.533   5.743
  244    HE3  MET 845           HE3      MET  35   6.796  -2.506   6.304
  245    H    SER 846           H        SER  36   7.161   2.132   1.515
  246    HA   SER 846           HA       SER  36   6.701   4.354   1.689
  247    HB2  SER 846           HB2      SER  36   5.785   3.842  -0.476
  248    HB3  SER 846           HB3      SER  36   4.238   3.361   0.233
  249    HG   SER 846           HG       SER  36   3.922   5.508   0.912
  250    H    LEU 847           H        LEU  37   6.613   4.189   4.075
  251    HA   LEU 847           HA       LEU  37   3.973   4.081   5.322
  252    HB2  LEU 847           HB2      LEU  37   6.786   4.309   6.389
  253    HB3  LEU 847           HB3      LEU  37   5.454   4.733   7.420
  254    HG   LEU 847           HG       LEU  37   4.664   2.263   6.146
  255   HD11  LEU 847          HD11      LEU  37   7.541   2.122   6.959
  256   HD12  LEU 847          HD12      LEU  37   6.885   1.939   5.332
  257   HD13  LEU 847          HD13      LEU  37   6.493   0.736   6.590
  258   HD21  LEU 847          HD21      LEU  37   5.836   1.884   8.784
  259   HD22  LEU 847          HD22      LEU  37   4.294   1.410   8.124
  260   HD23  LEU 847          HD23      LEU  37   4.512   3.078   8.679
  261    H    ASP 848           H        ASP  38   2.863   5.735   6.459
  262    HA   ASP 848           HA       ASP  38   3.665   8.478   5.836
  263    HB2  ASP 848           HB2      ASP  38   1.056   7.370   4.764
  264    HB3  ASP 848           HB3      ASP  38   1.557   9.051   4.782
  265    H    PHE 849           H        PHE  39   2.586  10.056   6.996
  266    HA   PHE 849           HA       PHE  39   0.619   9.173   9.045
  267    HB2  PHE 849           HB2      PHE  39   3.115  10.790   9.756
  268    HB3  PHE 849           HB3      PHE  39   1.862  10.216  10.796
  269    HD1  PHE 849           HD1      PHE  39   1.703   7.976  11.551
  270    HD2  PHE 849           HD2      PHE  39   4.731   9.024   8.645
  271    HE1  PHE 849           HE1      PHE  39   2.760   5.743  11.825
  272    HE2  PHE 849           HE2      PHE  39   5.730   6.872   8.919
  273    HZ   PHE 849           HZ       PHE  39   4.791   5.157  10.506
  274    H    CYS 850           H        CYS  40  -0.868  10.707   9.792
  275    HA   CYS 850           HA       CYS  40  -1.324  13.053   8.313
  276    HB2  CYS 850           HB2      CYS  40  -2.163  12.500  11.185
  277    HB3  CYS 850           HB3      CYS  40  -2.954  13.586  10.055
  278    H    ASP 851           H        ASP  41  -1.482  15.273   9.257
  279    HA   ASP 851           HA       ASP  41   0.957  16.441   9.979
  280    HB2  ASP 851           HB2      ASP  41  -0.286  18.411  10.387
  281    HB3  ASP 851           HB3      ASP  41  -0.999  17.609   9.004
  282    H    SER 852           H        SER  42  -1.407  14.934  12.061
  283    HA   SER 852           HA       SER  42  -0.112  15.787  14.549
  284    HB2  SER 852           HB2      SER  42  -2.559  15.624  14.413
  285    HB3  SER 852           HB3      SER  42  -2.435  13.897  14.027
  286    HG   SER 852           HG       SER  42  -2.828  14.306  16.287
  287    H    CYS 853           H        CYS  43  -0.494  12.768  12.608
  288    HA   CYS 853           HA       CYS  43   0.540  11.049  14.595
  289    HB2  CYS 853           HB2      CYS  43   0.001  10.781  11.634
  290    HB3  CYS 853           HB3      CYS  43   0.306   9.440  12.750
  291    H    SER 854           H        SER  44   2.034  12.893  12.076
  292    HA   SER 854           HA       SER  44   4.521  11.548  11.695
  293    HB2  SER 854           HB2      SER  44   5.244  13.718  10.918
  294    HB3  SER 854           HB3      SER  44   3.562  13.463  10.438
  295    HG   SER 854           HG       SER  44   3.952  15.574  11.378
  296    H    ASP 855           H        ASP  45   3.256  13.259  14.455
  297    HA   ASP 855           HA       ASP  45   5.865  13.361  15.814
  298    HB2  ASP 855           HB2      ASP  45   4.267  15.338  15.796
  299    HB3  ASP 855           HB3      ASP  45   3.170  14.375  16.782
  300    H    CYS 856           H        CYS  46   3.318  11.163  15.418
  301    HA   CYS 856           HA       CYS  46   3.160  10.204  18.154
  302    HB2  CYS 856           HB2      CYS  46   1.288  10.171  16.440
  303    HB3  CYS 856           HB3      CYS  46   2.145   8.855  15.612
  304    HG   CYS 856           HG       CYS  46   2.235   7.240  17.706
  305    H    LEU 857           H        LEU  47   5.098   9.486  15.385
  306    HA   LEU 857           HA       LEU  47   6.875   8.176  15.021
  307    HB2  LEU 857           HB2      LEU  47   7.528   9.783  16.799
  308    HB3  LEU 857           HB3      LEU  47   7.282   8.542  18.013
  309    HG   LEU 857           HG       LEU  47   9.133   7.231  17.229
  310   HD11  LEU 857          HD11      LEU  47   9.076   9.039  14.780
  311   HD12  LEU 857          HD12      LEU  47   8.941   7.252  14.858
  312   HD13  LEU 857          HD13      LEU  47  10.483   8.063  15.206
  313   HD21  LEU 857          HD21      LEU  47  10.980   8.841  17.416
  314   HD22  LEU 857          HD22      LEU  47   9.689   9.261  18.542
  315   HD23  LEU 857          HD23      LEU  47   9.879  10.185  17.035
  316    H    HIS 858           H        HIS  48   5.426   6.466  14.455
  317    HA   HIS 858           HA       HIS  48   5.252   4.154  16.286
  318    HB2  HIS 858           HB2      HIS  48   3.167   4.972  15.233
  319    HB3  HIS 858           HB3      HIS  48   3.885   4.768  13.637
  320    HD2  HIS 858           HD2      HIS  48   2.954   2.666  12.474
  321    HE1  HIS 858           HE1      HIS  48   2.509   0.071  15.827
  322    HE2  HIS 858           HE2      HIS  48   2.229   0.272  13.307
  323    H    GLU 859           H        GLU  49   5.676   1.954  15.307
  324    HA   GLU 859           HA       GLU  49   7.747   1.947  13.238
  325    HB2  GLU 859           HB2      GLU  49   8.231   0.585  15.922
  326    HB3  GLU 859           HB3      GLU  49   9.364   0.790  14.629
  327    HG2  GLU 859           HG2      GLU  49   9.367   3.270  15.031
  328    HG3  GLU 859           HG3      GLU  49   8.244   3.001  16.354
  329    H    THR 860           H        THR  50   8.234  -0.111  12.283
  330    HA   THR 860           HA       THR  50   6.303  -2.294  13.003
  331    HB   THR 860           HB       THR  50   5.698  -2.748  10.818
  332    HG1  THR 860           HG1      THR  50   6.651  -1.763   9.033
  333   HG21  THR 860          HG21      THR  50   4.687  -0.721   9.908
  334   HG22  THR 860          HG22      THR  50   5.689   0.310  10.951
  335   HG23  THR 860          HG23      THR  50   4.498  -0.763  11.677
  336    H    ASP 861           H        ASP  51   7.311  -3.974  10.888
  337    HA   ASP 861           HA       ASP  51   9.634  -5.167  12.177
  338    HB2  ASP 861           HB2      ASP  51   8.129  -5.865   9.696
  339    HB3  ASP 861           HB3      ASP  51   9.424  -6.825  10.379
  340    H    ILE 862           H        ILE  52   8.996  -2.986   9.587
  341    HA   ILE 862           HA       ILE  52  11.825  -2.989   8.762
  342    HB   ILE 862           HB       ILE  52   9.334  -2.185   7.259
  343   HG12  ILE 862          HG12      ILE  52  11.539  -4.287   6.976
  344   HG13  ILE 862          HG13      ILE  52   9.836  -4.581   7.338
  345   HG21  ILE 862          HG21      ILE  52  10.947  -0.426   6.874
  346   HG22  ILE 862          HG22      ILE  52  11.015  -1.498   5.481
  347   HG23  ILE 862          HG23      ILE  52  12.275  -1.592   6.752
  348   HD11  ILE 862          HD11      ILE  52  10.198  -5.148   5.073
  349   HD12  ILE 862          HD12      ILE  52  10.976  -3.586   4.734
  350   HD13  ILE 862          HD13      ILE  52   9.229  -3.655   5.127
  351    H    HIS 863           H        HIS  53   8.985  -0.965   9.620
  352    HA   HIS 863           HA       HIS  53  10.473   1.490   9.363
  353    HB2  HIS 863           HB2      HIS  53   8.259   1.734   8.889
  354    HB3  HIS 863           HB3      HIS  53   7.677   0.642  10.040
  355    HD1  HIS 863           HD1      HIS  53   9.569   3.126  12.138
  356    HD2  HIS 863           HD2      HIS  53   6.333   3.518  11.100
  357    HE1  HIS 863           HE1      HIS  53   9.369   5.411  11.247
  358    H    LYS 864           H        LYS  54  11.637   2.506  10.836
  359    HA   LYS 864           HA       LYS  54  11.042   1.941  13.701
  360    HB2  LYS 864           HB2      LYS  54  13.824   2.057  12.473
  361    HB3  LYS 864           HB3      LYS  54  13.392   1.865  14.150
  362    HG2  LYS 864           HG2      LYS  54  12.628  -0.178  11.940
  363    HG3  LYS 864           HG3      LYS  54  14.041  -0.310  12.917
  364    HD2  LYS 864           HD2      LYS  54  12.649  -0.517  14.986
  365    HD3  LYS 864           HD3      LYS  54  11.224  -0.375  14.041
  366    HE2  LYS 864           HE2      LYS  54  11.412  -2.655  14.233
  367    HE3  LYS 864           HE3      LYS  54  12.030  -2.354  12.620
  368    HZ1  LYS 864           HZ1      LYS  54  13.471  -3.885  13.871
  369    HZ2  LYS 864           HZ2      LYS  54  13.723  -2.783  15.046
  370    HZ3  LYS 864           HZ3      LYS  54  14.313  -2.528  13.540
  371    H    GLU 865           H        GLU  55  11.881   3.521  15.235
  372    HA   GLU 865           HA       GLU  55  11.460   6.226  14.380
  373    HB2  GLU 865           HB2      GLU  55  11.780   6.777  16.680
  374    HB3  GLU 865           HB3      GLU  55  10.825   5.309  16.573
  375    HG2  GLU 865           HG2      GLU  55  12.973   4.014  17.058
  376    HG3  GLU 865           HG3      GLU  55  13.791   5.555  17.280
  377    H    ASP 866           H        ASP  56  14.098   4.415  13.758
  378    HA   ASP 866           HA       ASP  56  16.321   5.955  14.606
  379    HB2  ASP 866           HB2      ASP  56  16.187   3.518  13.932
  380    HB3  ASP 866           HB3      ASP  56  16.152   4.096  12.275
  381    H    HIS 867           H        HIS  57  14.012   6.440  12.102
  382    HA   HIS 867           HA       HIS  57  15.864   7.778  10.254
  383    HB2  HIS 867           HB2      HIS  57  14.202   7.435   8.664
  384    HB3  HIS 867           HB3      HIS  57  14.554   5.961   9.505
  385    HD1  HIS 867           HD1      HIS  57  11.831   8.637  10.496
  386    HD2  HIS 867           HD2      HIS  57  12.456   4.711   9.183
  387    HE1  HIS 867           HE1      HIS  57   9.541   7.770   9.824
  388    H    GLN 868           H        GLN  58  13.850   9.171   8.923
  389    HA   GLN 868           HA       GLN  58  12.675  11.246  10.589
  390    HB2  GLN 868           HB2      GLN  58  13.623  13.107   9.315
  391    HB3  GLN 868           HB3      GLN  58  14.868  12.227  10.180
  392    HG2  GLN 868           HG2      GLN  58  14.287  11.744   7.226
  393    HG3  GLN 868           HG3      GLN  58  15.383  12.994   7.789
  394   HE21  GLN 868          HE21      GLN  58  17.964  10.671   8.790
  395   HE22  GLN 868          HE22      GLN  58  17.299  12.248   9.183
  396    H    LEU 869           H        LEU  59  11.113  12.580   9.395
  397    HA   LEU 869           HA       LEU  59   9.867  11.181   7.057
  398    HB2  LEU 869           HB2      LEU  59   8.652  13.150   9.041
  399    HB3  LEU 869           HB3      LEU  59   7.827  12.237   7.776
  400    HG   LEU 869           HG       LEU  59   7.199  11.425   9.849
  401   HD11  LEU 869          HD11      LEU  59   9.058   9.427   8.562
  402   HD12  LEU 869          HD12      LEU  59   7.407   9.806   8.023
  403   HD13  LEU 869          HD13      LEU  59   7.656   9.046   9.595
  404   HD21  LEU 869          HD21      LEU  59   8.484  10.426  11.538
  405   HD22  LEU 869          HD22      LEU  59   9.192  12.017  11.230
  406   HD23  LEU 869          HD23      LEU  59   9.985  10.539  10.612
  407    H    GLU 870           H        GLU  60   9.113  12.355   5.302
  408    HA   GLU 870           HA       GLU  60  10.254  15.084   4.958
  409    HB2  GLU 870           HB2      GLU  60  10.848  13.273   3.342
  410    HB3  GLU 870           HB3      GLU  60   9.145  13.111   2.951
  411    HG2  GLU 870           HG2      GLU  60   9.921  14.384   1.260
  412    HG3  GLU 870           HG3      GLU  60   9.241  15.625   2.311
  413    HA   PRO 871           HA       PRO  61   5.854  16.338   5.249
  414    HB2  PRO 871           HB2      PRO  61   6.201  19.013   5.549
  415    HB3  PRO 871           HB3      PRO  61   6.439  17.860   6.883
  416    HG2  PRO 871           HG2      PRO  61   8.531  19.174   5.146
  417    HG3  PRO 871           HG3      PRO  61   8.579  18.865   6.906
  418    HD2  PRO 871           HD2      PRO  61   9.784  17.264   4.953
  419    HD3  PRO 871           HD3      PRO  61   9.334  16.688   6.571
  420    H    ILE 872           H        ILE  62   4.531  16.855   3.508
  421    HA   ILE 872           HA       ILE  62   5.724  18.309   1.180
  422    HB   ILE 872           HB       ILE  62   3.623  16.223   0.844
  423   HG12  ILE 872          HG12      ILE  62   5.497  15.008   2.045
  424   HG13  ILE 872          HG13      ILE  62   5.033  14.376   0.507
  425   HG21  ILE 872          HG21      ILE  62   4.139  17.787  -0.986
  426   HG22  ILE 872          HG22      ILE  62   4.531  16.127  -1.447
  427   HG23  ILE 872          HG23      ILE  62   5.817  17.271  -0.998
  428   HD11  ILE 872          HD11      ILE  62   7.389  16.255   0.873
  429   HD12  ILE 872          HD12      ILE  62   6.984  15.318  -0.578
  430   HD13  ILE 872          HD13      ILE  62   7.501  14.469   0.891
  431    H    TYR 873           H        TYR  63   4.714  20.122   0.803
  432    HA   TYR 873           HA       TYR  63   2.156  20.626   2.149
  433    HB2  TYR 873           HB2      TYR  63   4.331  22.495   1.163
  434    HB3  TYR 873           HB3      TYR  63   2.822  23.010   1.893
  435    HD1  TYR 873           HD1      TYR  63   2.235  22.319   4.264
  436    HD2  TYR 873           HD2      TYR  63   6.181  21.820   2.577
  437    HE1  TYR 873           HE1      TYR  63   3.192  22.127   6.549
  438    HE2  TYR 873           HE2      TYR  63   7.133  21.626   4.865
  439    HH   TYR 873           HH       TYR  63   6.706  21.759   7.143
  440    H    ARG 874           H        ARG  64   2.609  19.284  -0.478
  441    HA   ARG 874           HA       ARG  64   0.376  20.462  -1.936
  442    HB2  ARG 874           HB2      ARG  64   3.081  19.923  -3.240
  443    HB3  ARG 874           HB3      ARG  64   1.602  20.245  -4.133
  444    HG2  ARG 874           HG2      ARG  64   3.016  22.210  -2.279
  445    HG3  ARG 874           HG3      ARG  64   3.049  22.174  -4.037
  446    HD2  ARG 874           HD2      ARG  64   0.608  22.520  -4.149
  447    HD3  ARG 874           HD3      ARG  64   0.531  22.681  -2.404
  448    HE   ARG 874           HE       ARG  64   1.528  24.620  -4.360
  449   HH11  ARG 874          HH11      ARG  64   1.570  23.850  -0.931
  450   HH12  ARG 874          HH12      ARG  64   1.987  25.494  -0.500
  451   HH21  ARG 874          HH21      ARG  64   2.051  26.654  -3.731
  452   HH22  ARG 874          HH22      ARG  64   2.244  27.044  -2.047
  453    H1   ALA   1           H1       ALA  65   1.954   5.415   3.568
  454    H2   ALA   1           H2       ALA  65   1.570   4.540   4.920
  455    H3   ALA   1           H3       ALA  65   0.402   5.377   4.117
  456    HA   ALA   1           HA       ALA  65   1.913   3.104   3.066
  457    HB1  ALA   1           HB1      ALA  65   0.288   2.421   4.792
  458    HB2  ALA   1           HB2      ALA  65  -0.204   1.861   3.186
  459    HB3  ALA   1           HB3      ALA  65  -0.988   3.287   3.903
  460    H    ARG   2           H        ARG  66   1.869   2.859   0.942
  461    HA   ARG   2           HA       ARG  66   0.514   4.684  -0.851
  462    HB2  ARG   2           HB2      ARG  66   1.439   3.458  -2.638
  463    HB3  ARG   2           HB3      ARG  66   2.655   3.581  -1.399
  464    HG2  ARG   2           HG2      ARG  66   1.102   1.116  -2.263
  465    HG3  ARG   2           HG3      ARG  66   2.824   1.433  -2.381
  466    HD2  ARG   2           HD2      ARG  66   2.904   1.427   0.162
  467    HD3  ARG   2           HD3      ARG  66   1.257   0.800   0.165
  468    HE   ARG   2           HE       ARG  66   3.746  -0.592  -0.528
  469   HH11  ARG   2          HH11      ARG  66   3.796  -2.678  -0.775
  470   HH12  ARG   2          HH12      ARG  66   2.346  -3.612  -1.093
  471   HH21  ARG   2          HH21      ARG  66   0.261  -0.848  -0.952
  472   HH22  ARG   2          HH22      ARG  66   0.363  -2.576  -1.177
  473    H    THR   3           H        THR  67  -1.525   4.742  -1.381
  474    HA   THR   3           HA       THR  67  -3.194   2.293  -1.705
  475    HB   THR   3           HB       THR  67  -3.986   4.716  -0.029
  476    HG1  THR   3           HG1      THR  67  -3.136   2.148   0.830
  477   HG21  THR   3          HG21      THR  67  -5.656   3.164   0.978
  478   HG22  THR   3          HG22      THR  67  -5.282   1.974  -0.293
  479   HG23  THR   3          HG23      THR  67  -6.008   3.545  -0.703
  480   HH31  ALY   4           H26      ALY  68  -6.509  12.189  -6.137
  481   HH32  ALY   4           H27      ALY  68  -6.637  10.418  -6.037
  482   HH33  ALY   4           H28      ALY  68  -5.734  11.164  -7.366
  483    HZ   ALY   4           HZ1      ALY  68  -4.116   9.641  -6.582
  484    HE3  ALY   4           HE3      ALY  68  -2.071  10.843  -4.926
  485    HE2  ALY   4           HE2      ALY  68  -2.890   9.518  -4.076
  486    HD3  ALY   4           HD3      ALY  68  -1.636   9.316  -6.849
  487    HD2  ALY   4           HD2      ALY  68  -0.828   8.797  -5.375
  488    HG3  ALY   4           HG3      ALY  68  -3.542   7.655  -6.112
  489    HG2  ALY   4           HG2      ALY  68  -2.077   7.062  -6.891
  490    HB3  ALY   4           HB3      ALY  68  -1.197   6.186  -4.885
  491    HB2  ALY   4           HB2      ALY  68  -2.269   7.142  -3.867
  492    HA   ALY   4           HA       ALY  68  -4.203   5.867  -4.584
  493    H    ALY   4           H        ALY  68  -1.919   4.248  -3.570
  494    H    GLN   5           H        GLN  69  -5.350   4.832  -6.071
  495    HA   GLN   5           HA       GLN  69  -4.254   2.982  -8.009
  496    HB2  GLN   5           HB2      GLN  69  -6.532   2.815  -7.111
  497    HB3  GLN   5           HB3      GLN  69  -6.947   4.388  -7.787
  498    HG2  GLN   5           HG2      GLN  69  -7.907   2.617  -9.127
  499    HG3  GLN   5           HG3      GLN  69  -6.723   3.490 -10.082
  500   HE21  GLN   5          HE21      GLN  69  -4.642   2.387 -10.573
  501   HE22  GLN   5          HE22      GLN  69  -4.575   0.625 -10.467
  502    H    THR   6           H        THR  70  -4.901   6.488  -8.095
  503    HA   THR   6           HA       THR  70  -3.410   6.735 -10.597
  504    HB   THR   6           HB       THR  70  -5.738   6.200 -11.351
  505    HG1  THR   6           HG1      THR  70  -4.585   7.346 -12.785
  506   HG21  THR   6          HG21      THR  70  -7.504   7.855 -11.192
  507   HG22  THR   6          HG22      THR  70  -6.488   8.931 -10.212
  508   HG23  THR   6          HG23      THR  70  -7.025   7.364  -9.556
  509    H    ALA   7           H        ALA  71  -2.946   8.982 -11.174
  510    HA   ALA   7           HA       ALA  71  -2.171  10.519  -8.874
  511    HB1  ALA   7           HB1      ALA  71  -2.147  11.228 -11.840
  512    HB2  ALA   7           HB2      ALA  71  -0.847  10.392 -10.956
  513    HB3  ALA   7           HB3      ALA  71  -1.259  12.068 -10.557
  514    H    ARG   8           H        ARG  72  -2.674  12.711  -8.394
  515    HA   ARG   8           HA       ARG  72  -5.506  13.307  -8.280
  516    HB2  ARG   8           HB2      ARG  72  -3.733  13.786  -6.501
  517    HB3  ARG   8           HB3      ARG  72  -3.191  15.120  -7.523
  518    HG2  ARG   8           HG2      ARG  72  -5.469  16.143  -7.353
  519    HG3  ARG   8           HG3      ARG  72  -6.006  14.759  -6.386
  520    HD2  ARG   8           HD2      ARG  72  -5.506  16.580  -4.889
  521    HD3  ARG   8           HD3      ARG  72  -4.299  15.307  -4.672
  522    HE   ARG   8           HE       ARG  72  -3.665  17.548  -6.525
  523   HH11  ARG   8          HH11      ARG  72  -0.919  18.406  -4.606
  524   HH12  ARG   8          HH12      ARG  72  -1.733  18.672  -6.153
  525   HH21  ARG   8          HH21      ARG  72  -3.047  16.219  -3.286
  526   HH22  ARG   8          HH22      ARG  72  -1.540  17.153  -3.200
  Start of MODEL   16
    1    H1   GLY 811           H1       GLY   1  -5.050  24.729  -4.012
    2    H2   GLY 811           H2       GLY   1  -3.871  25.134  -2.951
    3    H3   GLY 811           H3       GLY   1  -5.265  25.998  -3.005
    4    HA2  GLY 811           HA2      GLY   1  -6.548  24.098  -2.240
    5    HA3  GLY 811           HA3      GLY   1  -5.048  23.159  -2.181
    6    HA   PRO 812           HA       PRO   2  -5.891  25.813   1.744
    7    HB2  PRO 812           HB2      PRO   2  -7.324  24.180   3.396
    8    HB3  PRO 812           HB3      PRO   2  -8.077  25.218   2.150
    9    HG2  PRO 812           HG2      PRO   2  -7.367  22.268   1.915
   10    HG3  PRO 812           HG3      PRO   2  -8.931  23.064   1.532
   11    HD2  PRO 812           HD2      PRO   2  -7.085  22.534  -0.388
   12    HD3  PRO 812           HD3      PRO   2  -8.052  24.037  -0.430
   13    H    LEU 813           H        LEU   3  -3.851  25.807   2.479
   14    HA   LEU 813           HA       LEU   3  -2.097  23.661   2.676
   15    HB2  LEU 813           HB2      LEU   3  -2.002  26.227   4.308
   16    HB3  LEU 813           HB3      LEU   3  -0.634  25.187   3.934
   17    HG   LEU 813           HG       LEU   3  -2.216  26.850   1.922
   18   HD11  LEU 813          HD11      LEU   3  -0.157  28.176   1.781
   19   HD12  LEU 813          HD12      LEU   3   0.607  27.156   3.023
   20   HD13  LEU 813          HD13      LEU   3  -0.793  28.170   3.438
   21   HD21  LEU 813          HD21      LEU   3   0.275  25.135   1.528
   22   HD22  LEU 813          HD22      LEU   3  -0.414  26.250   0.327
   23   HD23  LEU 813          HD23      LEU   3  -1.335  24.832   0.828
   24    H    GLY 814           H        GLY   4  -4.382  24.646   5.139
   25    HA2  GLY 814           HA2      GLY   4  -3.188  22.912   7.233
   26    HA3  GLY 814           HA3      GLY   4  -4.542  24.025   7.409
   27    H    SER 815           H        SER   5  -5.166  22.214   4.647
   28    HA   SER 815           HA       SER   5  -6.673  20.099   6.025
   29    HB2  SER 815           HB2      SER   5  -8.024  22.123   4.211
   30    HB3  SER 815           HB3      SER   5  -8.797  20.774   5.045
   31    HG   SER 815           HG       SER   5  -8.379  21.791   7.027
   32    H    VAL 816           H        VAL   6  -4.391  20.151   4.089
   33    HA   VAL 816           HA       VAL   6  -5.092  19.526   1.449
   34    HB   VAL 816           HB       VAL   6  -2.777  18.633   3.222
   35   HG11  VAL 816          HG11      VAL   6  -2.887  18.767   0.228
   36   HG12  VAL 816          HG12      VAL   6  -2.727  17.318   1.274
   37   HG13  VAL 816          HG13      VAL   6  -1.428  18.515   1.223
   38   HG21  VAL 816          HG21      VAL   6  -1.568  20.540   2.410
   39   HG22  VAL 816          HG22      VAL   6  -3.046  21.131   3.112
   40   HG23  VAL 816          HG23      VAL   6  -2.914  21.030   1.340
   41    H    GLN 817           H        GLN   7  -5.879  17.781   0.447
   42    HA   GLN 817           HA       GLN   7  -6.328  15.319   2.070
   43    HB2  GLN 817           HB2      GLN   7  -8.084  14.868   0.377
   44    HB3  GLN 817           HB3      GLN   7  -8.365  16.289   1.386
   45    HG2  GLN 817           HG2      GLN   7  -8.616  17.629  -0.356
   46    HG3  GLN 817           HG3      GLN   7  -7.054  17.204  -0.999
   47   HE21  GLN 817          HE21      GLN   7  -6.918  15.092  -2.235
   48   HE22  GLN 817          HE22      GLN   7  -8.295  14.728  -3.291
   49    H    HIS 818           H        HIS   8  -5.080  13.596   1.714
   50    HA   HIS 818           HA       HIS   8  -3.944  13.246  -1.033
   51    HB2  HIS 818           HB2      HIS   8  -2.763  12.876   1.678
   52    HB3  HIS 818           HB3      HIS   8  -2.340  11.729   0.403
   53    HD2  HIS 818           HD2      HIS   8  -1.319  15.083   1.589
   54    HE1  HIS 818           HE1      HIS   8  -0.298  15.136  -2.552
   55    HE2  HIS 818           HE2      HIS   8  -0.078  16.385  -0.374
   56    H    VAL 819           H        VAL   9  -5.947  12.470  -1.621
   57    HA   VAL 819           HA       VAL   9  -6.922   9.839  -1.045
   58    HB   VAL 819           HB       VAL   9  -7.166  11.559  -3.515
   59   HG11  VAL 819          HG11      VAL   9  -7.611   9.184  -4.029
   60   HG12  VAL 819          HG12      VAL   9  -9.127  10.101  -3.969
   61   HG13  VAL 819          HG13      VAL   9  -8.667   9.068  -2.595
   62   HG21  VAL 819          HG21      VAL   9  -9.435  11.987  -2.562
   63   HG22  VAL 819          HG22      VAL   9  -8.181  12.572  -1.467
   64   HG23  VAL 819          HG23      VAL   9  -9.004  11.040  -1.117
   65    H    GLY 820           H        GLY  10  -5.475   8.257  -0.913
   66    HA2  GLY 820           HA2      GLY  10  -4.271   6.603  -2.407
   67    HA3  GLY 820           HA3      GLY  10  -3.386   7.993  -3.026
   68    H    PHE 821           H        PHE  11  -3.558   8.819   0.175
   69    HA   PHE 821           HA       PHE  11  -1.405   6.908   1.045
   70    HB2  PHE 821           HB2      PHE  11  -1.298   9.833   1.723
   71    HB3  PHE 821           HB3      PHE  11  -0.077   8.596   1.987
   72    HD1  PHE 821           HD1      PHE  11  -0.201  11.473   0.569
   73    HD2  PHE 821           HD2      PHE  11   0.354   7.401  -0.681
   74    HE1  PHE 821           HE1      PHE  11   0.804  12.267  -1.536
   75    HE2  PHE 821           HE2      PHE  11   1.457   8.191  -2.758
   76    HZ   PHE 821           HZ       PHE  11   1.648  10.663  -3.190
   77    H    LYS 822           H        LYS  12  -2.701   5.707   2.372
   78    HA   LYS 822           HA       LYS  12  -4.301   7.020   4.547
   79    HB2  LYS 822           HB2      LYS  12  -5.471   5.274   3.507
   80    HB3  LYS 822           HB3      LYS  12  -4.115   4.266   3.361
   81    HG2  LYS 822           HG2      LYS  12  -4.643   4.533   6.234
   82    HG3  LYS 822           HG3      LYS  12  -6.164   4.446   5.436
   83    HD2  LYS 822           HD2      LYS  12  -5.640   2.280   6.093
   84    HD3  LYS 822           HD3      LYS  12  -5.522   2.322   4.328
   85    HE2  LYS 822           HE2      LYS  12  -3.043   2.474   4.501
   86    HE3  LYS 822           HE3      LYS  12  -3.162   2.506   6.269
   87    HZ1  LYS 822           HZ1      LYS  12  -4.039   0.219   4.551
   88    HZ2  LYS 822           HZ2      LYS  12  -4.157   0.262   6.181
   89    HZ3  LYS 822           HZ3      LYS  12  -2.691   0.237   5.477
   90    H    CYS 823           H        CYS  13  -3.726   6.875   6.702
   91    HA   CYS 823           HA       CYS  13  -0.936   6.931   7.301
   92    HB2  CYS 823           HB2      CYS  13  -2.564   8.377   8.353
   93    HB3  CYS 823           HB3      CYS  13  -3.468   6.988   8.915
   94    H    ASP 824           H        ASP  14   0.185   5.743   8.779
   95    HA   ASP 824           HA       ASP  14  -0.449   2.820   9.006
   96    HB2  ASP 824           HB2      ASP  14   2.138   4.394   9.107
   97    HB3  ASP 824           HB3      ASP  14   2.020   2.716   9.597
   98    H    ASN 825           H        ASN  15   0.165   5.684  10.960
   99    HA   ASN 825           HA       ASN  15   0.655   4.285  13.462
  100    HB2  ASN 825           HB2      ASN  15   1.310   6.650  13.148
  101    HB3  ASN 825           HB3      ASN  15  -0.420   7.086  12.976
  102   HD21  ASN 825          HD21      ASN  15  -0.784   8.297  14.827
  103   HD22  ASN 825          HD22      ASN  15  -0.395   7.709  16.453
  104    H    CYS 826           H        CYS  16  -2.314   5.901  12.200
  105    HA   CYS 826           HA       CYS  16  -3.905   4.386  14.185
  106    HB2  CYS 826           HB2      CYS  16  -5.259   6.227  14.468
  107    HB3  CYS 826           HB3      CYS  16  -3.639   6.917  14.402
  108    H    GLY 827           H        GLY  17  -3.438   4.700  10.798
  109    HA2  GLY 827           HA2      GLY  17  -4.150   3.181   9.245
  110    HA3  GLY 827           HA3      GLY  17  -5.383   2.586  10.326
  111    H    ILE 828           H        ILE  18  -5.496   5.999  10.203
  112    HA   ILE 828           HA       ILE  18  -8.006   6.053   8.976
  113    HB   ILE 828           HB       ILE  18  -7.306   7.725  10.558
  114   HG12  ILE 828          HG12      ILE  18  -7.800   9.123   7.903
  115   HG13  ILE 828          HG13      ILE  18  -9.046   8.225   8.719
  116   HG21  ILE 828          HG21      ILE  18  -5.418   8.838   8.418
  117   HG22  ILE 828          HG22      ILE  18  -4.905   7.970   9.866
  118   HG23  ILE 828          HG23      ILE  18  -5.754   9.487  10.036
  119   HD11  ILE 828          HD11      ILE  18  -9.311  10.556   9.257
  120   HD12  ILE 828          HD12      ILE  18  -7.638  10.688   9.812
  121   HD13  ILE 828          HD13      ILE  18  -8.804   9.700  10.729
  122    H    GLU 829           H        GLU  19  -8.730   6.557   7.059
  123    HA   GLU 829           HA       GLU  19  -7.403   5.948   4.673
  124    HB2  GLU 829           HB2      GLU  19  -9.357   7.395   3.748
  125    HB3  GLU 829           HB3      GLU  19  -9.656   5.801   4.362
  126    HG2  GLU 829           HG2      GLU  19 -10.546   6.759   6.460
  127    HG3  GLU 829           HG3      GLU  19 -10.033   8.378   5.959
  128    HA   PRO 830           HA       PRO  20  -5.243   9.004   2.435
  129    HB2  PRO 830           HB2      PRO  20  -8.077  10.018   2.105
  130    HB3  PRO 830           HB3      PRO  20  -6.733   9.962   0.934
  131    HG2  PRO 830           HG2      PRO  20  -8.720   8.043   1.384
  132    HG3  PRO 830           HG3      PRO  20  -7.283   7.820   0.335
  133    HD2  PRO 830           HD2      PRO  20  -7.627   6.375   2.628
  134    HD3  PRO 830           HD3      PRO  20  -6.034   6.832   1.978
  135    H    ILE 831           H        ILE  21  -4.066   9.949   3.996
  136    HA   ILE 831           HA       ILE  21  -4.812  11.379   6.189
  137    HB   ILE 831           HB       ILE  21  -2.329  11.603   4.469
  138   HG12  ILE 831          HG12      ILE  21  -2.573  10.304   7.210
  139   HG13  ILE 831          HG13      ILE  21  -3.085   9.415   5.795
  140   HG21  ILE 831          HG21      ILE  21  -1.206  12.615   6.488
  141   HG22  ILE 831          HG22      ILE  21  -2.801  12.801   7.232
  142   HG23  ILE 831          HG23      ILE  21  -2.380  13.681   5.743
  143   HD11  ILE 831          HD11      ILE  21  -0.764   8.903   6.377
  144   HD12  ILE 831          HD12      ILE  21  -0.304  10.586   6.103
  145   HD13  ILE 831          HD13      ILE  21  -0.910   9.613   4.754
  146    H    GLN 832           H        GLN  22  -5.267  13.328   6.874
  147    HA   GLN 832           HA       GLN  22  -5.838  15.401   4.815
  148    HB2  GLN 832           HB2      GLN  22  -7.192  14.980   7.492
  149    HB3  GLN 832           HB3      GLN  22  -7.598  16.191   6.276
  150    HG2  GLN 832           HG2      GLN  22  -7.817  13.181   5.806
  151    HG3  GLN 832           HG3      GLN  22  -9.130  14.199   6.356
  152   HE21  GLN 832          HE21      GLN  22  -8.004  12.772   3.607
  153   HE22  GLN 832          HE22      GLN  22  -8.796  13.867   2.470
  154    H    GLY 833           H        GLY  23  -5.014  17.380   5.031
  155    HA2  GLY 833           HA2      GLY  23  -4.545  19.343   6.443
  156    HA3  GLY 833           HA3      GLY  23  -3.826  18.308   7.612
  157    H    VAL 834           H        VAL  24  -1.989  16.949   6.773
  158    HA   VAL 834           HA       VAL  24  -0.319  18.059   4.659
  159    HB   VAL 834           HB       VAL  24   0.102  19.342   6.759
  160   HG11  VAL 834          HG11      VAL  24   1.136  18.408   8.677
  161   HG12  VAL 834          HG12      VAL  24   1.182  16.791   7.928
  162   HG13  VAL 834          HG13      VAL  24  -0.385  17.551   8.357
  163   HG21  VAL 834          HG21      VAL  24   1.980  19.180   5.231
  164   HG22  VAL 834          HG22      VAL  24   2.436  17.584   5.903
  165   HG23  VAL 834          HG23      VAL  24   2.570  19.056   6.880
  166    H    ARG 835           H        ARG  25   0.833  16.351   3.675
  167    HA   ARG 835           HA       ARG  25   0.474  13.609   4.806
  168    HB2  ARG 835           HB2      ARG  25   0.444  13.919   2.332
  169    HB3  ARG 835           HB3      ARG  25   2.080  14.561   2.397
  170    HG2  ARG 835           HG2      ARG  25   2.658  12.217   3.507
  171    HG3  ARG 835           HG3      ARG  25   1.106  11.726   2.834
  172    HD2  ARG 835           HD2      ARG  25   1.989  12.499   0.565
  173    HD3  ARG 835           HD3      ARG  25   3.540  12.822   1.354
  174    HE   ARG 835           HE       ARG  25   2.879  10.192   2.077
  175   HH11  ARG 835          HH11      ARG  25   3.793  11.698  -0.986
  176   HH12  ARG 835          HH12      ARG  25   4.462  10.194  -1.549
  177   HH21  ARG 835          HH21      ARG  25   3.676   8.514   1.375
  178   HH22  ARG 835          HH22      ARG  25   4.422   8.350  -0.195
  179    H    TRP 836           H        TRP  26   1.948  12.669   6.187
  180    HA   TRP 836           HA       TRP  26   4.687  13.875   6.309
  181    HB2  TRP 836           HB2      TRP  26   3.170  12.273   8.351
  182    HB3  TRP 836           HB3      TRP  26   4.889  12.492   8.388
  183    HD1  TRP 836           HD1      TRP  26   1.771  14.398   9.108
  184    HE1  TRP 836           HE1      TRP  26   2.444  16.645  10.281
  185    HE3  TRP 836           HE3      TRP  26   6.708  14.435   7.996
  186    HZ2  TRP 836           HZ2      TRP  26   4.884  17.958  10.991
  187    HZ3  TRP 836           HZ3      TRP  26   8.252  16.025   9.090
  188    HH2  TRP 836           HH2      TRP  26   7.372  17.760  10.622
  189    H    HIS 837           H        HIS  27   5.618  12.958   4.576
  190    HA   HIS 837           HA       HIS  27   5.494  10.016   4.037
  191    HB2  HIS 837           HB2      HIS  27   5.398  11.496   2.107
  192    HB3  HIS 837           HB3      HIS  27   6.795  12.409   2.666
  193    HD2  HIS 837           HD2      HIS  27   8.994  11.814   1.520
  194    HE1  HIS 837           HE1      HIS  27   8.201   7.779   0.383
  195    HE2  HIS 837           HE2      HIS  27   9.902   9.671   0.278
  196    H    CYS 838           H        CYS  28   6.984   8.624   4.969
  197    HA   CYS 838           HA       CYS  28   9.121   9.621   6.604
  198    HB2  CYS 838           HB2      CYS  28   7.799   7.548   6.848
  199    HB3  CYS 838           HB3      CYS  28   8.746   6.908   5.482
  200    H    GLN 839           H        GLN  29  11.161  10.039   6.194
  201    HA   GLN 839           HA       GLN  29  11.948  10.488   3.451
  202    HB2  GLN 839           HB2      GLN  29  13.476  10.773   6.069
  203    HB3  GLN 839           HB3      GLN  29  14.097  11.233   4.486
  204    HG2  GLN 839           HG2      GLN  29  12.062  12.737   4.211
  205    HG3  GLN 839           HG3      GLN  29  11.750  12.506   5.932
  206   HE21  GLN 839          HE21      GLN  29  12.223  15.151   4.983
  207   HE22  GLN 839          HE22      GLN  29  13.818  15.624   5.460
  208    H    ASP 840           H        ASP  30  12.856   8.055   5.948
  209    HA   ASP 840           HA       ASP  30  14.959   6.986   4.122
  210    HB2  ASP 840           HB2      ASP  30  15.372   7.628   6.556
  211    HB3  ASP 840           HB3      ASP  30  14.215   6.429   6.938
  212    H    CYS 841           H        CYS  31  11.766   6.056   5.393
  213    HA   CYS 841           HA       CYS  31  11.922   3.246   4.881
  214    HB2  CYS 841           HB2      CYS  31   9.634   5.193   4.920
  215    HB3  CYS 841           HB3      CYS  31   9.391   3.573   4.332
  216    HA   PRO 842           HA       PRO  32  12.359   3.372   0.470
  217    HB2  PRO 842           HB2      PRO  32  11.676   0.830  -0.297
  218    HB3  PRO 842           HB3      PRO  32  13.147   1.217   0.644
  219    HG2  PRO 842           HG2      PRO  32  10.495   0.191   1.694
  220    HG3  PRO 842           HG3      PRO  32  12.144  -0.362   2.100
  221    HD2  PRO 842           HD2      PRO  32  10.726   1.432   3.646
  222    HD3  PRO 842           HD3      PRO  32  12.504   1.437   3.525
  223    HA   PRO 843           HA       PRO  33   8.405   4.570  -1.261
  224    HB2  PRO 843           HB2      PRO  33   9.518   3.374  -3.814
  225    HB3  PRO 843           HB3      PRO  33   8.645   4.918  -3.590
  226    HG2  PRO 843           HG2      PRO  33  11.334   4.929  -3.791
  227    HG3  PRO 843           HG3      PRO  33  10.564   5.896  -2.488
  228    HD2  PRO 843           HD2      PRO  33  11.839   3.152  -2.292
  229    HD3  PRO 843           HD3      PRO  33  12.008   4.570  -1.211
  230    H    GLU 844           H        GLU  34   9.559   1.305  -1.986
  231    HA   GLU 844           HA       GLU  34   7.168   0.024  -2.762
  232    HB2  GLU 844           HB2      GLU  34   9.411  -0.959  -2.900
  233    HB3  GLU 844           HB3      GLU  34   9.531  -1.011  -1.131
  234    HG2  GLU 844           HG2      GLU  34   7.786  -2.693  -1.002
  235    HG3  GLU 844           HG3      GLU  34   7.368  -2.469  -2.698
  236    H    MET 845           H        MET  35   8.289   0.867   0.474
  237    HA   MET 845           HA       MET  35   5.929  -0.386   1.789
  238    HB2  MET 845           HB2      MET  35   8.369   1.047   2.891
  239    HB3  MET 845           HB3      MET  35   7.038   0.443   3.877
  240    HG2  MET 845           HG2      MET  35   8.703  -1.313   2.040
  241    HG3  MET 845           HG3      MET  35   9.062  -1.045   3.740
  242    HE1  MET 845           HE1      MET  35   6.324  -2.984   5.655
  243    HE2  MET 845           HE2      MET  35   6.301  -1.240   5.338
  244    HE3  MET 845           HE3      MET  35   7.835  -2.052   5.741
  245    H    SER 846           H        SER  36   7.423   2.840   1.407
  246    HA   SER 846           HA       SER  36   6.739   4.962   1.941
  247    HB2  SER 846           HB2      SER  36   5.840   4.646  -0.269
  248    HB3  SER 846           HB3      SER  36   4.348   3.955   0.392
  249    HG   SER 846           HG       SER  36   3.866   5.959   1.322
  250    H    LEU 847           H        LEU  37   6.699   4.584   4.292
  251    HA   LEU 847           HA       LEU  37   4.034   4.221   5.483
  252    HB2  LEU 847           HB2      LEU  37   6.804   4.373   6.686
  253    HB3  LEU 847           HB3      LEU  37   5.406   4.798   7.647
  254    HG   LEU 847           HG       LEU  37   4.465   2.480   6.562
  255   HD11  LEU 847          HD11      LEU  37   7.414   1.933   6.832
  256   HD12  LEU 847          HD12      LEU  37   6.500   2.024   5.319
  257   HD13  LEU 847          HD13      LEU  37   6.123   0.762   6.512
  258   HD21  LEU 847          HD21      LEU  37   4.590   3.105   8.972
  259   HD22  LEU 847          HD22      LEU  37   6.163   2.270   8.980
  260   HD23  LEU 847          HD23      LEU  37   4.694   1.404   8.533
  261    H    ASP 848           H        ASP  38   2.843   5.742   6.584
  262    HA   ASP 848           HA       ASP  38   3.521   8.567   6.051
  263    HB2  ASP 848           HB2      ASP  38   0.982   7.240   5.061
  264    HB3  ASP 848           HB3      ASP  38   1.346   8.952   5.040
  265    H    PHE 849           H        PHE  39   2.426  10.053   7.331
  266    HA   PHE 849           HA       PHE  39   0.434   9.013   9.263
  267    HB2  PHE 849           HB2      PHE  39   2.759  10.692  10.284
  268    HB3  PHE 849           HB3      PHE  39   1.546   9.815  11.150
  269    HD1  PHE 849           HD1      PHE  39   4.737   9.504   9.347
  270    HD2  PHE 849           HD2      PHE  39   1.485   7.362  11.144
  271    HE1  PHE 849           HE1      PHE  39   6.033   7.399   9.190
  272    HE2  PHE 849           HE2      PHE  39   2.828   5.265  11.122
  273    HZ   PHE 849           HZ       PHE  39   5.074   5.272  10.078
  274    H    CYS 850           H        CYS  40  -0.818  10.479  10.360
  275    HA   CYS 850           HA       CYS  40  -1.588  12.894   9.067
  276    HB2  CYS 850           HB2      CYS  40  -2.168  11.820  11.855
  277    HB3  CYS 850           HB3      CYS  40  -3.132  13.015  10.985
  278    H    ASP 851           H        ASP  41  -1.828  14.954  10.389
  279    HA   ASP 851           HA       ASP  41   0.660  16.124  10.950
  280    HB2  ASP 851           HB2      ASP  41  -0.531  18.054  11.491
  281    HB3  ASP 851           HB3      ASP  41  -1.499  17.252  10.288
  282    H    SER 852           H        SER  42  -1.588  14.558  13.168
  283    HA   SER 852           HA       SER  42   0.001  15.143  15.559
  284    HB2  SER 852           HB2      SER  42  -2.458  15.154  15.643
  285    HB3  SER 852           HB3      SER  42  -2.473  13.444  15.146
  286    HG   SER 852           HG       SER  42  -2.649  13.775  17.465
  287    H    CYS 853           H        CYS  43  -0.750  12.314  13.469
  288    HA   CYS 853           HA       CYS  43   0.332  10.302  15.115
  289    HB2  CYS 853           HB2      CYS  43  -0.305  10.634  12.200
  290    HB3  CYS 853           HB3      CYS  43   0.327   9.136  12.864
  291    H    SER 854           H        SER  44   1.729  12.329  12.590
  292    HA   SER 854           HA       SER  44   4.285  10.990  12.304
  293    HB2  SER 854           HB2      SER  44   3.628  12.637  10.709
  294    HB3  SER 854           HB3      SER  44   3.391  13.863  11.946
  295    HG   SER 854           HG       SER  44   5.424  14.232  11.050
  296    H    ASP 855           H        ASP  45   3.006  13.169  14.734
  297    HA   ASP 855           HA       ASP  45   5.591  13.483  16.089
  298    HB2  ASP 855           HB2      ASP  45   3.951  15.396  15.865
  299    HB3  ASP 855           HB3      ASP  45   2.874  14.524  16.947
  300    H    CYS 856           H        CYS  46   3.045  11.253  15.969
  301    HA   CYS 856           HA       CYS  46   3.037  10.448  18.758
  302    HB2  CYS 856           HB2      CYS  46   1.113  10.277  17.059
  303    HB3  CYS 856           HB3      CYS  46   1.990   8.898  16.375
  304    HG   CYS 856           HG       CYS  46   0.830   9.335  19.455
  305    H    LEU 857           H        LEU  47   4.835   9.651  15.912
  306    HA   LEU 857           HA       LEU  47   6.514   8.336  15.344
  307    HB2  LEU 857           HB2      LEU  47   7.289   9.410  17.691
  308    HB3  LEU 857           HB3      LEU  47   7.469   7.705  18.060
  309    HG   LEU 857           HG       LEU  47   9.538   8.466  17.235
  310   HD11  LEU 857          HD11      LEU  47   8.292   7.104  14.807
  311   HD12  LEU 857          HD12      LEU  47   8.876   6.270  16.273
  312   HD13  LEU 857          HD13      LEU  47   9.988   7.183  15.236
  313   HD21  LEU 857          HD21      LEU  47   8.197   9.625  14.762
  314   HD22  LEU 857          HD22      LEU  47   9.928   9.650  15.163
  315   HD23  LEU 857          HD23      LEU  47   8.779  10.549  16.160
  316    H    HIS 858           H        HIS  48   5.919   6.634  14.322
  317    HA   HIS 858           HA       HIS  48   5.091   4.120  15.724
  318    HB2  HIS 858           HB2      HIS  48   3.411   5.244  14.248
  319    HB3  HIS 858           HB3      HIS  48   4.537   5.096  12.903
  320    HD2  HIS 858           HD2      HIS  48   4.201   3.005  11.422
  321    HE1  HIS 858           HE1      HIS  48   2.184   0.461  14.189
  322    HE2  HIS 858           HE2      HIS  48   3.003   0.685  11.793
  323    H    GLU 859           H        GLU  49   6.035   2.112  14.861
  324    HA   GLU 859           HA       GLU  49   8.178   2.382  12.896
  325    HB2  GLU 859           HB2      GLU  49   8.639   0.859  15.511
  326    HB3  GLU 859           HB3      GLU  49   9.805   1.161  14.274
  327    HG2  GLU 859           HG2      GLU  49   9.794   3.573  14.787
  328    HG3  GLU 859           HG3      GLU  49   8.557   3.283  16.016
  329    H    THR 860           H        THR  50   8.784   0.474  11.791
  330    HA   THR 860           HA       THR  50   7.156  -1.983  12.423
  331    HB   THR 860           HB       THR  50   6.735  -2.451  10.164
  332    HG1  THR 860           HG1      THR  50   7.467  -1.080   8.499
  333   HG21  THR 860          HG21      THR  50   5.328  -0.619   9.421
  334   HG22  THR 860          HG22      THR  50   6.117   0.514  10.555
  335   HG23  THR 860          HG23      THR  50   5.161  -0.830  11.183
  336    H    ASP 861           H        ASP  51   8.461  -3.349  10.157
  337    HA   ASP 861           HA       ASP  51  10.899  -4.286  11.432
  338    HB2  ASP 861           HB2      ASP  51   9.586  -4.960   8.840
  339    HB3  ASP 861           HB3      ASP  51  11.011  -5.764   9.472
  340    H    ILE 862           H        ILE  52   9.968  -2.104   8.872
  341    HA   ILE 862           HA       ILE  52  12.803  -1.588   8.197
  342    HB   ILE 862           HB       ILE  52  10.303  -1.083   6.598
  343   HG12  ILE 862          HG12      ILE  52  12.790  -2.867   6.383
  344   HG13  ILE 862          HG13      ILE  52  11.130  -3.400   6.639
  345   HG21  ILE 862          HG21      ILE  52  12.075  -0.167   4.958
  346   HG22  ILE 862          HG22      ILE  52  13.160  -0.076   6.373
  347   HG23  ILE 862          HG23      ILE  52  11.660   0.873   6.319
  348   HD11  ILE 862          HD11      ILE  52  12.248  -2.187   4.122
  349   HD12  ILE 862          HD12      ILE  52  10.521  -2.541   4.418
  350   HD13  ILE 862          HD13      ILE  52  11.721  -3.853   4.399
  351    H    HIS 863           H        HIS  53   9.702  -0.076   9.111
  352    HA   HIS 863           HA       HIS  53  10.793   2.620   9.131
  353    HB2  HIS 863           HB2      HIS  53   8.481   2.409   8.721
  354    HB3  HIS 863           HB3      HIS  53   8.191   1.314   9.986
  355    HD1  HIS 863           HD1      HIS  53   9.840   3.881  12.074
  356    HD2  HIS 863           HD2      HIS  53   6.812   4.297  10.898
  357    HE1  HIS 863           HE1      HIS  53   9.826   6.131  11.042
  358    H    LYS 864           H        LYS  54  12.033   3.461  10.751
  359    HA   LYS 864           HA       LYS  54  11.439   2.530  13.524
  360    HB2  LYS 864           HB2      LYS  54  14.185   2.863  12.270
  361    HB3  LYS 864           HB3      LYS  54  13.809   2.563  13.953
  362    HG2  LYS 864           HG2      LYS  54  13.197   0.634  11.592
  363    HG3  LYS 864           HG3      LYS  54  14.592   0.549  12.633
  364    HD2  LYS 864           HD2      LYS  54  13.099   0.117  14.619
  365    HD3  LYS 864           HD3      LYS  54  11.744   0.083  13.555
  366    HE2  LYS 864           HE2      LYS  54  12.237  -2.143  13.649
  367    HE3  LYS 864           HE3      LYS  54  13.015  -1.672  12.150
  368    HZ1  LYS 864           HZ1      LYS  54  14.492  -3.047  13.517
  369    HZ2  LYS 864           HZ2      LYS  54  14.408  -2.018  14.775
  370    HZ3  LYS 864           HZ3      LYS  54  15.156  -1.563  13.391
  371    H    GLU 865           H        GLU  55  12.235   3.979  15.249
  372    HA   GLU 865           HA       GLU  55  11.994   6.771  14.577
  373    HB2  GLU 865           HB2      GLU  55  12.255   7.174  16.887
  374    HB3  GLU 865           HB3      GLU  55  11.261   5.733  16.706
  375    HG2  GLU 865           HG2      GLU  55  13.360   4.353  17.137
  376    HG3  GLU 865           HG3      GLU  55  14.223   5.850  17.468
  377    H    ASP 866           H        ASP  56  14.480   4.837  13.769
  378    HA   ASP 866           HA       ASP  56  16.813   6.421  14.392
  379    HB2  ASP 866           HB2      ASP  56  16.198   4.284  12.389
  380    HB3  ASP 866           HB3      ASP  56  17.778   5.028  12.541
  381    H    HIS 867           H        HIS  57  14.157   6.569  12.025
  382    HA   HIS 867           HA       HIS  57  15.563   8.639  10.504
  383    HB2  HIS 867           HB2      HIS  57  14.026   7.840   8.711
  384    HB3  HIS 867           HB3      HIS  57  15.394   6.836   9.097
  385    HD1  HIS 867           HD1      HIS  57  14.517   4.688   8.132
  386    HD2  HIS 867           HD2      HIS  57  11.795   6.822  10.462
  387    HE1  HIS 867           HE1      HIS  57  12.175   4.200   7.242
  388    H    GLN 868           H        GLN  58  13.765   9.733   9.227
  389    HA   GLN 868           HA       GLN  58  11.849  10.966  11.086
  390    HB2  GLN 868           HB2      GLN  58  12.693  13.185  10.591
  391    HB3  GLN 868           HB3      GLN  58  13.945  12.192  11.315
  392    HG2  GLN 868           HG2      GLN  58  13.717  12.673   8.302
  393    HG3  GLN 868           HG3      GLN  58  14.654  13.695   9.377
  394   HE21  GLN 868          HE21      GLN  58  16.535  12.669  10.541
  395   HE22  GLN 868          HE22      GLN  58  17.243  11.236   9.809
  396    H    LEU 869           H        LEU  59  10.408  12.539  10.077
  397    HA   LEU 869           HA       LEU  59   9.426  11.551   7.454
  398    HB2  LEU 869           HB2      LEU  59   7.945  13.185   9.540
  399    HB3  LEU 869           HB3      LEU  59   7.283  12.312   8.160
  400    HG   LEU 869           HG       LEU  59   6.598  11.176  10.019
  401   HD11  LEU 869          HD11      LEU  59   7.584   8.954   9.841
  402   HD12  LEU 869          HD12      LEU  59   8.980   9.628   8.989
  403   HD13  LEU 869          HD13      LEU  59   7.346   9.720   8.255
  404   HD21  LEU 869          HD21      LEU  59   9.370  10.805  11.187
  405   HD22  LEU 869          HD22      LEU  59   7.810  10.362  11.868
  406   HD23  LEU 869          HD23      LEU  59   8.217  12.072  11.707
  407    H    GLU 870           H        GLU  60   8.468  12.961   5.961
  408    HA   GLU 870           HA       GLU  60   9.438  15.776   5.937
  409    HB2  GLU 870           HB2      GLU  60  10.427  14.276   4.243
  410    HB3  GLU 870           HB3      GLU  60   8.829  13.856   3.665
  411    HG2  GLU 870           HG2      GLU  60   9.940  15.413   2.204
  412    HG3  GLU 870           HG3      GLU  60   8.459  16.123   2.867
  413    HA   PRO 871           HA       PRO  61   4.950  16.509   5.914
  414    HB2  PRO 871           HB2      PRO  61   4.925  19.178   6.359
  415    HB3  PRO 871           HB3      PRO  61   5.351  17.993   7.626
  416    HG2  PRO 871           HG2      PRO  61   7.202  19.685   5.939
  417    HG3  PRO 871           HG3      PRO  61   7.309  19.320   7.686
  418    HD2  PRO 871           HD2      PRO  61   8.715  17.978   5.670
  419    HD3  PRO 871           HD3      PRO  61   8.361  17.289   7.270
  420    H    ILE 872           H        ILE  62   3.537  16.944   4.186
  421    HA   ILE 872           HA       ILE  62   4.491  18.778   2.032
  422    HB   ILE 872           HB       ILE  62   2.621  16.556   1.456
  423   HG12  ILE 872          HG12      ILE  62   5.601  16.319   1.903
  424   HG13  ILE 872          HG13      ILE  62   4.269  15.222   2.347
  425   HG21  ILE 872          HG21      ILE  62   3.001  18.522  -0.099
  426   HG22  ILE 872          HG22      ILE  62   3.423  16.977  -0.816
  427   HG23  ILE 872          HG23      ILE  62   4.707  18.054  -0.213
  428   HD11  ILE 872          HD11      ILE  62   5.602  14.230   0.640
  429   HD12  ILE 872          HD12      ILE  62   5.476  15.699  -0.365
  430   HD13  ILE 872          HD13      ILE  62   4.025  14.693  -0.072
  431    H    TYR 873           H        TYR  63   3.334  20.519   1.894
  432    HA   TYR 873           HA       TYR  63   0.772  20.750   3.285
  433    HB2  TYR 873           HB2      TYR  63   2.807  22.810   2.374
  434    HB3  TYR 873           HB3      TYR  63   1.278  23.201   3.131
  435    HD1  TYR 873           HD1      TYR  63   0.743  22.276   5.450
  436    HD2  TYR 873           HD2      TYR  63   4.714  22.246   3.755
  437    HE1  TYR 873           HE1      TYR  63   1.714  21.961   7.720
  438    HE2  TYR 873           HE2      TYR  63   5.683  21.957   6.025
  439    HH   TYR 873           HH       TYR  63   5.248  21.868   8.302
  440    H    ARG 874           H        ARG  64   1.214  19.621   0.568
  441    HA   ARG 874           HA       ARG  64  -1.144  20.692  -0.712
  442    HB2  ARG 874           HB2      ARG  64  -0.075  21.084  -2.906
  443    HB3  ARG 874           HB3      ARG  64   0.443  22.254  -1.688
  444    HG2  ARG 874           HG2      ARG  64   2.589  21.158  -1.424
  445    HG3  ARG 874           HG3      ARG  64   2.065  19.763  -2.367
  446    HD2  ARG 874           HD2      ARG  64   3.438  21.082  -3.806
  447    HD3  ARG 874           HD3      ARG  64   1.766  21.205  -4.349
  448    HE   ARG 874           HE       ARG  64   1.695  23.462  -3.772
  449   HH11  ARG 874          HH11      ARG  64   4.786  22.202  -2.672
  450   HH12  ARG 874          HH12      ARG  64   5.405  23.792  -2.334
  451   HH21  ARG 874          HH21      ARG  64   2.557  25.440  -3.316
  452   HH22  ARG 874          HH22      ARG  64   4.183  25.577  -2.717
  453    H1   ALA   1           H1       ALA  65   0.123   5.071   4.325
  454    H2   ALA   1           H2       ALA  65   1.645   5.408   3.779
  455    H3   ALA   1           H3       ALA  65   1.429   4.373   5.035
  456    HA   ALA   1           HA       ALA  65   1.973   3.196   3.042
  457    HB1  ALA   1           HB1      ALA  65  -0.859   2.733   4.029
  458    HB2  ALA   1           HB2      ALA  65   0.636   2.002   4.662
  459    HB3  ALA   1           HB3      ALA  65   0.094   1.602   3.030
  460    H    ARG   2           H        ARG  66   2.040   3.373   0.947
  461    HA   ARG   2           HA       ARG  66   0.329   5.081  -0.598
  462    HB2  ARG   2           HB2      ARG  66   1.610   4.521  -2.461
  463    HB3  ARG   2           HB3      ARG  66   2.713   4.580  -1.115
  464    HG2  ARG   2           HG2      ARG  66   1.730   2.147  -2.646
  465    HG3  ARG   2           HG3      ARG  66   3.361   2.774  -2.554
  466    HD2  ARG   2           HD2      ARG  66   3.607   2.059  -0.249
  467    HD3  ARG   2           HD3      ARG  66   1.924   1.547  -0.152
  468    HE   ARG   2           HE       ARG  66   4.139   0.060  -1.198
  469   HH11  ARG   2          HH11      ARG  66   3.876  -1.956  -1.926
  470   HH12  ARG   2          HH12      ARG  66   2.304  -2.570  -2.359
  471   HH21  ARG   2          HH21      ARG  66   0.632   0.360  -1.580
  472   HH22  ARG   2          HH22      ARG  66   0.500  -1.285  -2.155
  473    H    THR   3           H        THR  67  -1.700   4.769  -1.014
  474    HA   THR   3           HA       THR  67  -2.652   2.162  -2.161
  475    HB   THR   3           HB       THR  67  -4.909   2.867  -1.518
  476    HG1  THR   3           HG1      THR  67  -5.213   4.681  -0.272
  477   HG21  THR   3          HG21      THR  67  -3.055   3.047   0.898
  478   HG22  THR   3          HG22      THR  67  -3.538   1.528   0.109
  479   HG23  THR   3          HG23      THR  67  -4.760   2.556   0.882
  480   HH31  ALY   4           H26      ALY  68  -4.140  13.426  -6.036
  481   HH32  ALY   4           H27      ALY  68  -4.471  12.683  -4.451
  482   HH33  ALY   4           H28      ALY  68  -4.745  11.757  -5.943
  483    HZ   ALY   4           HZ1      ALY  68  -3.358  10.376  -4.409
  484    HE3  ALY   4           HE3      ALY  68  -0.470  10.935  -4.454
  485    HE2  ALY   4           HE2      ALY  68  -1.284   9.607  -3.619
  486    HD3  ALY   4           HD3      ALY  68  -0.931   9.800  -6.644
  487    HD2  ALY   4           HD2      ALY  68   0.169   8.916  -5.586
  488    HG3  ALY   4           HG3      ALY  68  -2.804   8.274  -5.785
  489    HG2  ALY   4           HG2      ALY  68  -1.581   7.553  -6.835
  490    HB3  ALY   4           HB3      ALY  68  -0.430   6.546  -4.932
  491    HB2  ALY   4           HB2      ALY  68  -1.487   7.361  -3.793
  492    HA   ALY   4           HA       ALY  68  -3.447   6.124  -4.955
  493    H    ALY   4           H        ALY  68  -1.674   5.273  -2.949
  494    H    GLN   5           H        GLN  69  -3.712   5.701  -7.121
  495    HA   GLN   5           HA       GLN  69  -2.758   3.191  -8.189
  496    HB2  GLN   5           HB2      GLN  69  -4.249   5.490  -9.523
  497    HB3  GLN   5           HB3      GLN  69  -3.942   3.908 -10.253
  498    HG2  GLN   5           HG2      GLN  69  -5.191   2.820  -8.378
  499    HG3  GLN   5           HG3      GLN  69  -5.592   4.415  -7.735
  500   HE21  GLN   5          HE21      GLN  69  -7.763   2.949  -8.188
  501   HE22  GLN   5          HE22      GLN  69  -8.551   3.406  -9.692
  502    H    THR   6           H        THR  70  -1.457   2.779 -10.004
  503    HA   THR   6           HA       THR  70   0.912   4.453 -10.242
  504    HB   THR   6           HB       THR  70   1.714   2.634 -11.730
  505    HG1  THR   6           HG1      THR  70   0.385   0.837 -12.032
  506   HG21  THR   6          HG21      THR  70   0.435   1.546  -9.182
  507   HG22  THR   6          HG22      THR  70   1.965   2.446  -9.253
  508   HG23  THR   6          HG23      THR  70   1.829   0.876 -10.059
  509    H    ALA   7           H        ALA  71  -2.019   4.648 -11.881
  510    HA   ALA   7           HA       ALA  71  -1.186   4.958 -14.581
  511    HB1  ALA   7           HB1      ALA  71  -3.492   5.753 -14.909
  512    HB2  ALA   7           HB2      ALA  71  -3.688   5.970 -13.159
  513    HB3  ALA   7           HB3      ALA  71  -3.460   4.337 -13.844
  514    H    ARG   8           H        ARG  72  -0.548   7.129 -12.072
  515    HA   ARG   8           HA       ARG  72   0.091   9.342 -13.934
  516    HB2  ARG   8           HB2      ARG  72  -1.550   9.673 -11.384
  517    HB3  ARG   8           HB3      ARG  72  -0.792  11.001 -12.259
  518    HG2  ARG   8           HG2      ARG  72  -2.980   9.187 -13.379
  519    HG3  ARG   8           HG3      ARG  72  -3.208  10.806 -12.724
  520    HD2  ARG   8           HD2      ARG  72  -1.755  11.759 -14.470
  521    HD3  ARG   8           HD3      ARG  72  -1.490  10.165 -15.162
  522    HE   ARG   8           HE       ARG  72  -3.925  11.814 -15.317
  523   HH11  ARG   8          HH11      ARG  72  -5.462  11.291 -16.803
  524   HH12  ARG   8          HH12      ARG  72  -5.430   9.746 -17.605
  525   HH21  ARG   8          HH21      ARG  72  -2.624   8.604 -15.966
  526   HH22  ARG   8          HH22      ARG  72  -3.858   8.274 -17.160
  Start of MODEL   17
    1    H1   GLY 811           H1       GLY   1  -7.114  28.711   1.994
    2    H2   GLY 811           H2       GLY   1  -8.206  28.052   0.967
    3    H3   GLY 811           H3       GLY   1  -7.337  29.360   0.505
    4    HA2  GLY 811           HA2      GLY   1  -6.469  27.395  -0.579
    5    HA3  GLY 811           HA3      GLY   1  -5.278  28.109   0.522
    6    HA   PRO 812           HA       PRO   2  -6.049  23.537   1.201
    7    HB2  PRO 812           HB2      PRO   2  -3.045  23.427   0.904
    8    HB3  PRO 812           HB3      PRO   2  -4.272  22.264   0.321
    9    HG2  PRO 812           HG2      PRO   2  -3.156  24.019  -1.401
   10    HG3  PRO 812           HG3      PRO   2  -4.940  23.793  -1.433
   11    HD2  PRO 812           HD2      PRO   2  -3.350  25.964  -0.024
   12    HD3  PRO 812           HD3      PRO   2  -4.748  26.138  -1.127
   13    H    LEU 813           H        LEU   3  -4.038  25.721   2.913
   14    HA   LEU 813           HA       LEU   3  -2.632  24.154   4.697
   15    HB2  LEU 813           HB2      LEU   3  -3.908  26.816   5.386
   16    HB3  LEU 813           HB3      LEU   3  -2.566  26.060   6.230
   17    HG   LEU 813           HG       LEU   3  -2.524  27.156   3.382
   18   HD11  LEU 813          HD11      LEU   3  -1.162  28.053   5.954
   19   HD12  LEU 813          HD12      LEU   3  -2.556  28.846   5.188
   20   HD13  LEU 813          HD13      LEU   3  -0.991  28.822   4.359
   21   HD21  LEU 813          HD21      LEU   3  -0.072  26.757   3.477
   22   HD22  LEU 813          HD22      LEU   3  -0.987  25.247   3.509
   23   HD23  LEU 813          HD23      LEU   3  -0.279  25.893   5.014
   24    H    GLY 814           H        GLY   4  -3.057  22.780   6.219
   25    HA2  GLY 814           HA2      GLY   4  -4.029  21.681   8.001
   26    HA3  GLY 814           HA3      GLY   4  -5.093  23.064   8.247
   27    H    SER 815           H        SER   5  -5.425  21.866   5.061
   28    HA   SER 815           HA       SER   5  -7.540  19.928   5.681
   29    HB2  SER 815           HB2      SER   5  -8.462  22.299   5.635
   30    HB3  SER 815           HB3      SER   5  -8.073  22.329   3.905
   31    HG   SER 815           HG       SER   5 -10.260  21.671   4.332
   32    H    VAL 816           H        VAL   6  -4.812  19.886   4.404
   33    HA   VAL 816           HA       VAL   6  -4.920  19.608   1.600
   34    HB   VAL 816           HB       VAL   6  -3.062  18.434   3.718
   35   HG11  VAL 816          HG11      VAL   6  -1.342  18.469   2.002
   36   HG12  VAL 816          HG12      VAL   6  -2.566  18.913   0.790
   37   HG13  VAL 816          HG13      VAL   6  -2.661  17.339   1.654
   38   HG21  VAL 816          HG21      VAL   6  -2.741  21.000   2.128
   39   HG22  VAL 816          HG22      VAL   6  -1.649  20.315   3.376
   40   HG23  VAL 816          HG23      VAL   6  -3.212  20.933   3.840
   41    H    GLN 817           H        GLN   7  -5.575  18.034   0.303
   42    HA   GLN 817           HA       GLN   7  -6.156  15.345   1.452
   43    HB2  GLN 817           HB2      GLN   7  -7.564  15.075  -0.497
   44    HB3  GLN 817           HB3      GLN   7  -8.041  16.455   0.485
   45    HG2  GLN 817           HG2      GLN   7  -7.996  17.798  -1.265
   46    HG3  GLN 817           HG3      GLN   7  -6.292  17.553  -1.476
   47   HE21  GLN 817          HE21      GLN   7  -9.097  15.247  -2.154
   48   HE22  GLN 817          HE22      GLN   7  -8.657  15.112  -3.844
   49    H    HIS 818           H        HIS   8  -4.878  13.633   0.954
   50    HA   HIS 818           HA       HIS   8  -3.282  13.750  -1.598
   51    HB2  HIS 818           HB2      HIS   8  -2.436  12.989   1.173
   52    HB3  HIS 818           HB3      HIS   8  -1.758  12.149  -0.224
   53    HD2  HIS 818           HD2      HIS   8  -1.281  15.335   1.666
   54    HE1  HIS 818           HE1      HIS   8   0.520  16.037  -2.136
   55    HE2  HIS 818           HE2      HIS   8   0.180  16.988   0.178
   56    H    VAL 819           H        VAL   9  -5.040  12.851  -2.663
   57    HA   VAL 819           HA       VAL   9  -6.013  10.217  -2.117
   58    HB   VAL 819           HB       VAL   9  -6.365  11.809  -4.643
   59   HG11  VAL 819          HG11      VAL   9  -8.379  10.313  -4.800
   60   HG12  VAL 819          HG12      VAL   9  -7.791   9.411  -3.380
   61   HG13  VAL 819          HG13      VAL   9  -6.870   9.389  -4.897
   62   HG21  VAL 819          HG21      VAL   9  -7.240  13.017  -2.651
   63   HG22  VAL 819          HG22      VAL   9  -8.021  11.531  -2.073
   64   HG23  VAL 819          HG23      VAL   9  -8.581  12.321  -3.567
   65    H    GLY 820           H        GLY  10  -4.076   9.269  -1.709
   66    HA2  GLY 820           HA2      GLY  10  -3.081   7.296  -3.294
   67    HA3  GLY 820           HA3      GLY  10  -2.174   8.700  -3.827
   68    H    PHE 821           H        PHE  11  -2.718   9.327  -0.571
   69    HA   PHE 821           HA       PHE  11  -0.489   7.543   0.380
   70    HB2  PHE 821           HB2      PHE  11  -0.822  10.396   1.315
   71    HB3  PHE 821           HB3      PHE  11   0.465   9.278   1.714
   72    HD1  PHE 821           HD1      PHE  11   1.315   8.273  -1.006
   73    HD2  PHE 821           HD2      PHE  11   0.383  12.191   0.488
   74    HE1  PHE 821           HE1      PHE  11   2.584   9.288  -2.874
   75    HE2  PHE 821           HE2      PHE  11   1.622  13.212  -1.394
   76    HZ   PHE 821           HZ       PHE  11   2.693  11.791  -3.088
   77    H    LYS 822           H        LYS  12  -1.823   6.086   1.274
   78    HA   LYS 822           HA       LYS  12  -3.904   6.811   3.317
   79    HB2  LYS 822           HB2      LYS  12  -4.577   5.105   1.918
   80    HB3  LYS 822           HB3      LYS  12  -3.049   4.427   1.744
   81    HG2  LYS 822           HG2      LYS  12  -4.036   4.107   4.567
   82    HG3  LYS 822           HG3      LYS  12  -5.196   3.564   3.382
   83    HD2  LYS 822           HD2      LYS  12  -3.385   2.166   2.297
   84    HD3  LYS 822           HD3      LYS  12  -2.304   2.677   3.607
   85    HE2  LYS 822           HE2      LYS  12  -3.211   0.437   3.945
   86    HE3  LYS 822           HE3      LYS  12  -3.606   1.552   5.261
   87    HZ1  LYS 822           HZ1      LYS  12  -5.521   0.134   4.516
   88    HZ2  LYS 822           HZ2      LYS  12  -5.536   0.905   3.074
   89    HZ3  LYS 822           HZ3      LYS  12  -5.856   1.728   4.462
   90    H    CYS 823           H        CYS  13  -3.534   6.493   5.508
   91    HA   CYS 823           HA       CYS  13  -0.894   6.714   6.563
   92    HB2  CYS 823           HB2      CYS  13  -2.929   7.733   7.500
   93    HB3  CYS 823           HB3      CYS  13  -3.579   6.127   7.780
   94    H    ASP 824           H        ASP  14   0.168   5.424   7.985
   95    HA   ASP 824           HA       ASP  14  -0.124   2.455   7.742
   96    HB2  ASP 824           HB2      ASP  14   2.200   4.262   8.475
   97    HB3  ASP 824           HB3      ASP  14   2.219   2.527   8.737
   98    H    ASN 825           H        ASN  15  -0.139   5.065  10.126
   99    HA   ASN 825           HA       ASN  15   0.085   3.362  12.469
  100    HB2  ASN 825           HB2      ASN  15   0.495   5.785  12.601
  101    HB3  ASN 825           HB3      ASN  15  -1.217   6.086  12.163
  102   HD21  ASN 825          HD21      ASN  15  -1.880   7.085  14.069
  103   HD22  ASN 825          HD22      ASN  15  -1.829   6.263  15.638
  104    H    CYS 826           H        CYS  16  -2.817   4.868  10.932
  105    HA   CYS 826           HA       CYS  16  -4.509   2.927  12.396
  106    HB2  CYS 826           HB2      CYS  16  -6.078   4.572  12.713
  107    HB3  CYS 826           HB3      CYS  16  -4.557   5.397  13.012
  108    H    GLY 827           H        GLY  17  -3.536   3.707   9.195
  109    HA2  GLY 827           HA2      GLY  17  -3.848   2.315   7.410
  110    HA3  GLY 827           HA3      GLY  17  -5.218   1.561   8.192
  111    H    ILE 828           H        ILE  18  -5.686   4.871   8.466
  112    HA   ILE 828           HA       ILE  18  -7.906   4.886   6.810
  113    HB   ILE 828           HB       ILE  18  -7.693   6.396   8.671
  114   HG12  ILE 828          HG12      ILE  18  -7.830   8.066   6.130
  115   HG13  ILE 828          HG13      ILE  18  -9.125   7.015   6.628
  116   HG21  ILE 828          HG21      ILE  18  -5.250   6.928   8.494
  117   HG22  ILE 828          HG22      ILE  18  -6.259   8.332   8.668
  118   HG23  ILE 828          HG23      ILE  18  -5.572   7.933   7.079
  119   HD11  ILE 828          HD11      ILE  18  -9.325   8.285   8.780
  120   HD12  ILE 828          HD12      ILE  18  -9.680   9.235   7.324
  121   HD13  ILE 828          HD13      ILE  18  -8.130   9.444   8.148
  122    H    GLU 829           H        GLU  19  -8.370   5.558   4.861
  123    HA   GLU 829           HA       GLU  19  -6.422   5.340   2.770
  124    HB2  GLU 829           HB2      GLU  19  -9.188   6.435   2.642
  125    HB3  GLU 829           HB3      GLU  19  -8.324   5.751   1.308
  126    HG2  GLU 829           HG2      GLU  19  -9.521   4.222   3.633
  127    HG3  GLU 829           HG3      GLU  19  -9.977   4.134   1.942
  128    HA   PRO 830           HA       PRO  20  -4.671   9.128   1.361
  129    HB2  PRO 830           HB2      PRO  20  -7.584   9.695   0.746
  130    HB3  PRO 830           HB3      PRO  20  -6.110  10.155  -0.135
  131    HG2  PRO 830           HG2      PRO  20  -7.640   7.816  -0.470
  132    HG3  PRO 830           HG3      PRO  20  -6.045   8.110  -1.221
  133    HD2  PRO 830           HD2      PRO  20  -6.383   6.146   0.656
  134    HD3  PRO 830           HD3      PRO  20  -4.874   7.042   0.423
  135    H    ILE 831           H        ILE  21  -3.879   9.847   3.217
  136    HA   ILE 831           HA       ILE  21  -5.110  10.909   5.441
  137    HB   ILE 831           HB       ILE  21  -2.423  11.532   4.163
  138   HG12  ILE 831          HG12      ILE  21  -2.935   9.840   6.642
  139   HG13  ILE 831          HG13      ILE  21  -3.105   9.139   5.056
  140   HG21  ILE 831          HG21      ILE  21  -1.711  12.342   6.469
  141   HG22  ILE 831          HG22      ILE  21  -3.422  12.350   6.922
  142   HG23  ILE 831          HG23      ILE  21  -2.824  13.416   5.633
  143   HD11  ILE 831          HD11      ILE  21  -0.859   8.763   5.947
  144   HD12  ILE 831          HD12      ILE  21  -0.564  10.504   5.999
  145   HD13  ILE 831          HD13      ILE  21  -0.834   9.703   4.439
  146    H    GLN 832           H        GLN  22  -5.808  12.748   6.209
  147    HA   GLN 832           HA       GLN  22  -6.159  15.022   4.310
  148    HB2  GLN 832           HB2      GLN  22  -7.959  14.180   6.599
  149    HB3  GLN 832           HB3      GLN  22  -8.232  15.518   5.483
  150    HG2  GLN 832           HG2      GLN  22  -8.122  12.578   4.669
  151    HG3  GLN 832           HG3      GLN  22  -9.583  13.480   4.988
  152   HE21  GLN 832          HE21      GLN  22  -7.918  12.319   2.457
  153   HE22  GLN 832          HE22      GLN  22  -8.408  13.525   1.264
  154    H    GLY 833           H        GLY  23  -5.518  16.990   4.891
  155    HA2  GLY 833           HA2      GLY  23  -5.628  18.763   6.653
  156    HA3  GLY 833           HA3      GLY  23  -4.871  17.635   7.743
  157    H    VAL 834           H        VAL  24  -2.829  16.655   6.864
  158    HA   VAL 834           HA       VAL  24  -0.989  18.280   5.313
  159    HB   VAL 834           HB       VAL  24  -1.076  19.202   7.643
  160   HG11  VAL 834          HG11      VAL  24  -1.582  17.128   8.832
  161   HG12  VAL 834          HG12      VAL  24  -0.237  18.045   9.533
  162   HG13  VAL 834          HG13      VAL  24   0.100  16.591   8.561
  163   HG21  VAL 834          HG21      VAL  24   1.026  19.483   6.443
  164   HG22  VAL 834          HG22      VAL  24   1.567  17.853   6.953
  165   HG23  VAL 834          HG23      VAL  24   1.359  19.159   8.140
  166    H    ARG 835           H        ARG  25   0.641  16.820   4.439
  167    HA   ARG 835           HA       ARG  25   0.227  13.914   5.062
  168    HB2  ARG 835           HB2      ARG  25   0.615  14.667   2.679
  169    HB3  ARG 835           HB3      ARG  25   2.204  15.227   3.173
  170    HG2  ARG 835           HG2      ARG  25   2.630  12.768   3.945
  171    HG3  ARG 835           HG3      ARG  25   1.192  12.384   2.994
  172    HD2  ARG 835           HD2      ARG  25   2.324  13.411   0.993
  173    HD3  ARG 835           HD3      ARG  25   3.746  13.735   2.000
  174    HE   ARG 835           HE       ARG  25   3.190  10.997   2.332
  175   HH11  ARG 835          HH11      ARG  25   4.419  12.945  -0.341
  176   HH12  ARG 835          HH12      ARG  25   5.282  11.574  -0.976
  177   HH21  ARG 835          HH21      ARG  25   4.189   9.473   1.559
  178   HH22  ARG 835          HH22      ARG  25   5.128   9.548   0.087
  179    H    TRP 836           H        TRP  26   1.577  12.820   6.472
  180    HA   TRP 836           HA       TRP  26   4.150  14.167   7.243
  181    HB2  TRP 836           HB2      TRP  26   2.473  12.173   8.766
  182    HB3  TRP 836           HB3      TRP  26   4.137  12.482   9.116
  183    HD1  TRP 836           HD1      TRP  26   0.811  14.107   9.520
  184    HE1  TRP 836           HE1      TRP  26   1.097  16.274  10.981
  185    HE3  TRP 836           HE3      TRP  26   5.838  14.544   9.302
  186    HZ2  TRP 836           HZ2      TRP  26   3.293  17.632  12.243
  187    HZ3  TRP 836           HZ3      TRP  26   7.067  16.105  10.791
  188    HH2  TRP 836           HH2      TRP  26   5.818  17.602  12.300
  189    H    HIS 837           H        HIS  27   5.353  13.624   5.553
  190    HA   HIS 837           HA       HIS  27   5.582  10.795   4.602
  191    HB2  HIS 837           HB2      HIS  27   5.611  12.529   2.896
  192    HB3  HIS 837           HB3      HIS  27   6.849  13.442   3.762
  193    HD2  HIS 837           HD2      HIS  27   9.204  13.153   2.801
  194    HE1  HIS 837           HE1      HIS  27   8.880   9.241   1.131
  195    HE2  HIS 837           HE2      HIS  27  10.419  11.249   1.447
  196    H    CYS 838           H        CYS  28   7.092   9.425   5.454
  197    HA   CYS 838           HA       CYS  28   8.921  10.300   7.530
  198    HB2  CYS 838           HB2      CYS  28   7.718   8.136   7.340
  199    HB3  CYS 838           HB3      CYS  28   8.855   7.780   6.028
  200    H    GLN 839           H        GLN  29  10.925  10.942   7.378
  201    HA   GLN 839           HA       GLN  29  11.908  11.818   4.820
  202    HB2  GLN 839           HB2      GLN  29  13.179  11.808   7.586
  203    HB3  GLN 839           HB3      GLN  29  13.888  12.573   6.169
  204    HG2  GLN 839           HG2      GLN  29  11.742  13.905   5.893
  205    HG3  GLN 839           HG3      GLN  29  11.269  13.362   7.500
  206   HE21  GLN 839          HE21      GLN  29  12.403  16.017   6.052
  207   HE22  GLN 839          HE22      GLN  29  13.506  16.604   7.298
  208    H    ASP 840           H        ASP  30  12.792   9.077   6.954
  209    HA   ASP 840           HA       ASP  30  15.127   8.472   5.185
  210    HB2  ASP 840           HB2      ASP  30  15.279   8.698   7.735
  211    HB3  ASP 840           HB3      ASP  30  14.202   7.374   7.780
  212    H    CYS 841           H        CYS  31  11.900   7.184   5.967
  213    HA   CYS 841           HA       CYS  31  12.322   4.512   5.021
  214    HB2  CYS 841           HB2      CYS  31   9.881   6.248   5.222
  215    HB3  CYS 841           HB3      CYS  31   9.810   4.744   4.353
  216    HA   PRO 842           HA       PRO  32  13.028   5.495   0.743
  217    HB2  PRO 842           HB2      PRO  32  12.877   3.056  -0.464
  218    HB3  PRO 842           HB3      PRO  32  14.162   3.475   0.704
  219    HG2  PRO 842           HG2      PRO  32  11.598   1.950   1.242
  220    HG3  PRO 842           HG3      PRO  32  13.267   1.526   1.733
  221    HD2  PRO 842           HD2      PRO  32  11.498   2.828   3.398
  222    HD3  PRO 842           HD3      PRO  32  13.262   3.092   3.468
  223    HA   PRO 843           HA       PRO  33   9.101   6.286  -1.239
  224    HB2  PRO 843           HB2      PRO  33  10.510   5.488  -3.804
  225    HB3  PRO 843           HB3      PRO  33   9.446   6.893  -3.500
  226    HG2  PRO 843           HG2      PRO  33  12.114   7.240  -3.506
  227    HG3  PRO 843           HG3      PRO  33  11.149   7.971  -2.177
  228    HD2  PRO 843           HD2      PRO  33  12.737   5.388  -2.141
  229    HD3  PRO 843           HD3      PRO  33  12.685   6.710  -0.935
  230    H    GLU 844           H        GLU  34  10.722   3.276  -2.167
  231    HA   GLU 844           HA       GLU  34   8.558   1.830  -3.267
  232    HB2  GLU 844           HB2      GLU  34  10.924   1.179  -3.367
  233    HB3  GLU 844           HB3      GLU  34  10.937   0.862  -1.625
  234    HG2  GLU 844           HG2      GLU  34   9.444  -1.022  -1.882
  235    HG3  GLU 844           HG3      GLU  34   9.060  -0.566  -3.545
  236    H    MET 845           H        MET  35   9.329   2.471   0.095
  237    HA   MET 845           HA       MET  35   7.061   0.790   1.078
  238    HB2  MET 845           HB2      MET  35   9.225   2.354   2.533
  239    HB3  MET 845           HB3      MET  35   7.920   1.458   3.321
  240    HG2  MET 845           HG2      MET  35   9.983   0.218   1.470
  241    HG3  MET 845           HG3      MET  35  10.094   0.248   3.223
  242    HE1  MET 845           HE1      MET  35   8.798  -1.253   4.863
  243    HE2  MET 845           HE2      MET  35   7.428  -2.290   4.427
  244    HE3  MET 845           HE3      MET  35   7.243  -0.528   4.383
  245    H    SER 846           H        SER  36   8.227   4.160   1.180
  246    HA   SER 846           HA       SER  36   7.306   6.133   1.856
  247    HB2  SER 846           HB2      SER  36   6.559   5.962  -0.438
  248    HB3  SER 846           HB3      SER  36   5.084   5.124   0.066
  249    HG   SER 846           HG       SER  36   4.403   6.972   1.125
  250    H    LEU 847           H        LEU  37   7.156   5.476   4.165
  251    HA   LEU 847           HA       LEU  37   4.454   4.745   5.056
  252    HB2  LEU 847           HB2      LEU  37   7.076   4.954   6.542
  253    HB3  LEU 847           HB3      LEU  37   5.547   5.103   7.398
  254    HG   LEU 847           HG       LEU  37   4.964   2.910   5.883
  255   HD11  LEU 847          HD11      LEU  37   7.897   2.550   6.432
  256   HD12  LEU 847          HD12      LEU  37   7.173   2.853   4.849
  257   HD13  LEU 847          HD13      LEU  37   6.764   1.372   5.745
  258   HD21  LEU 847          HD21      LEU  37   4.798   3.188   8.376
  259   HD22  LEU 847          HD22      LEU  37   6.430   2.469   8.424
  260   HD23  LEU 847          HD23      LEU  37   5.075   1.588   7.703
  261    H    ASP 848           H        ASP  38   3.028   5.969   6.172
  262    HA   ASP 848           HA       ASP  38   3.452   8.894   6.109
  263    HB2  ASP 848           HB2      ASP  38   1.186   7.492   4.655
  264    HB3  ASP 848           HB3      ASP  38   1.379   9.221   4.889
  265    H    PHE 849           H        PHE  39   2.095  10.079   7.436
  266    HA   PHE 849           HA       PHE  39   0.072   8.588   9.034
  267    HB2  PHE 849           HB2      PHE  39   2.141  10.383  10.352
  268    HB3  PHE 849           HB3      PHE  39   0.949   9.350  11.098
  269    HD1  PHE 849           HD1      PHE  39   1.120   6.896  10.920
  270    HD2  PHE 849           HD2      PHE  39   4.253   9.433   9.464
  271    HE1  PHE 849           HE1      PHE  39   2.647   4.927  10.832
  272    HE2  PHE 849           HE2      PHE  39   5.752   7.477   9.264
  273    HZ   PHE 849           HZ       PHE  39   4.958   5.201   9.956
  274    H    CYS 850           H        CYS  40  -1.647   9.706   9.897
  275    HA   CYS 850           HA       CYS  40  -2.429  12.175   8.813
  276    HB2  CYS 850           HB2      CYS  40  -3.308  10.792  11.385
  277    HB3  CYS 850           HB3      CYS  40  -4.252  11.976  10.482
  278    H    ASP 851           H        ASP  41  -3.136  14.090  10.137
  279    HA   ASP 851           HA       ASP  41  -1.030  15.489  11.378
  280    HB2  ASP 851           HB2      ASP  41  -2.625  17.145  11.862
  281    HB3  ASP 851           HB3      ASP  41  -3.069  16.463  10.317
  282    H    SER 852           H        SER  42  -3.369  13.302  12.828
  283    HA   SER 852           HA       SER  42  -2.454  13.820  15.562
  284    HB2  SER 852           HB2      SER  42  -4.836  13.397  15.120
  285    HB3  SER 852           HB3      SER  42  -4.436  11.793  14.478
  286    HG   SER 852           HG       SER  42  -5.091  11.765  16.712
  287    H    CYS 853           H        CYS  43  -2.164  11.214  13.094
  288    HA   CYS 853           HA       CYS  43  -1.032   9.289  14.872
  289    HB2  CYS 853           HB2      CYS  43  -1.200   9.519  11.874
  290    HB3  CYS 853           HB3      CYS  43  -0.653   8.100  12.726
  291    H    SER 854           H        SER  44   0.322  11.878  12.972
  292    HA   SER 854           HA       SER  44   3.039  10.998  12.729
  293    HB2  SER 854           HB2      SER  44   3.471  13.321  12.311
  294    HB3  SER 854           HB3      SER  44   1.913  12.914  11.607
  295    HG   SER 854           HG       SER  44   1.900  14.900  12.858
  296    H    ASP 855           H        ASP  45   1.186  11.960  15.514
  297    HA   ASP 855           HA       ASP  45   3.498  12.469  17.216
  298    HB2  ASP 855           HB2      ASP  45   1.204  13.560  17.499
  299    HB3  ASP 855           HB3      ASP  45   0.620  11.985  18.042
  300    H    CYS 856           H        CYS  46   2.072   9.688  15.908
  301    HA   CYS 856           HA       CYS  46   2.496   7.885  18.145
  302    HB2  CYS 856           HB2      CYS  46   0.785   7.556  16.208
  303    HB3  CYS 856           HB3      CYS  46   2.183   7.120  15.221
  304    HG   CYS 856           HG       CYS  46   0.895   4.943  16.116
  305    H    LEU 857           H        LEU  47   4.180   6.414  18.246
  306    HA   LEU 857           HA       LEU  47   6.538   6.932  16.494
  307    HB2  LEU 857           HB2      LEU  47   6.934   7.569  18.812
  308    HB3  LEU 857           HB3      LEU  47   6.627   5.917  19.351
  309    HG   LEU 857           HG       LEU  47   8.601   5.088  18.236
  310   HD11  LEU 857          HD11      LEU  47  10.102   6.790  17.013
  311   HD12  LEU 857          HD12      LEU  47   8.688   7.836  16.926
  312   HD13  LEU 857          HD13      LEU  47   8.665   6.224  16.145
  313   HD21  LEU 857          HD21      LEU  47   8.911   6.258  20.405
  314   HD22  LEU 857          HD22      LEU  47   9.244   7.772  19.533
  315   HD23  LEU 857          HD23      LEU  47  10.335   6.380  19.371
  316    H    HIS 858           H        HIS  48   5.489   5.698  14.963
  317    HA   HIS 858           HA       HIS  48   5.039   2.825  15.488
  318    HB2  HIS 858           HB2      HIS  48   3.252   4.127  14.361
  319    HB3  HIS 858           HB3      HIS  48   4.374   4.568  13.072
  320    HD2  HIS 858           HD2      HIS  48   4.302   3.022  10.983
  321    HE1  HIS 858           HE1      HIS  48   2.593  -0.474  12.728
  322    HE2  HIS 858           HE2      HIS  48   3.382   0.587  10.556
  323    H    GLU 859           H        GLU  49   6.044   1.168  14.208
  324    HA   GLU 859           HA       GLU  49   8.255   1.950  12.474
  325    HB2  GLU 859           HB2      GLU  49   8.698  -0.057  14.738
  326    HB3  GLU 859           HB3      GLU  49   9.898   0.585  13.672
  327    HG2  GLU 859           HG2      GLU  49   9.643   2.833  14.734
  328    HG3  GLU 859           HG3      GLU  49   8.401   2.149  15.778
  329    H    THR 860           H        THR  50   9.045   0.331  11.060
  330    HA   THR 860           HA       THR  50   7.548  -2.283  11.099
  331    HB   THR 860           HB       THR  50   7.254  -2.317   8.777
  332    HG1  THR 860           HG1      THR  50   7.989  -0.615   7.451
  333   HG21  THR 860          HG21      THR  50   5.562  -0.980  10.027
  334   HG22  THR 860          HG22      THR  50   5.763  -0.467   8.336
  335   HG23  THR 860          HG23      THR  50   6.452   0.496   9.667
  336    H    ASP 861           H        ASP  51   9.083  -3.082   8.689
  337    HA   ASP 861           HA       ASP  51  11.484  -4.137   9.956
  338    HB2  ASP 861           HB2      ASP  51  10.408  -4.349   7.177
  339    HB3  ASP 861           HB3      ASP  51  11.829  -5.190   7.764
  340    H    ILE 862           H        ILE  52  10.592  -1.539   7.793
  341    HA   ILE 862           HA       ILE  52  13.427  -0.732   7.521
  342    HB   ILE 862           HB       ILE  52  11.074  -0.167   5.733
  343   HG12  ILE 862          HG12      ILE  52  13.750  -1.659   5.548
  344   HG13  ILE 862          HG13      ILE  52  12.149  -2.390   5.547
  345   HG21  ILE 862          HG21      ILE  52  13.817   1.111   6.001
  346   HG22  ILE 862          HG22      ILE  52  12.233   1.918   5.897
  347   HG23  ILE 862          HG23      ILE  52  12.915   1.134   4.471
  348   HD11  ILE 862          HD11      ILE  52  11.641  -1.316   3.408
  349   HD12  ILE 862          HD12      ILE  52  13.011  -2.438   3.342
  350   HD13  ILE 862          HD13      ILE  52  13.323  -0.696   3.353
  351    H    HIS 863           H        HIS  53  10.149   0.371   8.387
  352    HA   HIS 863           HA       HIS  53  11.002   3.093   8.992
  353    HB2  HIS 863           HB2      HIS  53   8.750   2.807   8.401
  354    HB3  HIS 863           HB3      HIS  53   8.482   1.463   9.399
  355    HD1  HIS 863           HD1      HIS  53   9.804   3.750  12.036
  356    HD2  HIS 863           HD2      HIS  53   6.771   4.064  10.782
  357    HE1  HIS 863           HE1      HIS  53   9.556   6.132  11.423
  358    H    LYS 864           H        LYS  54  12.038   3.699  10.838
  359    HA   LYS 864           HA       LYS  54  11.416   2.146  13.309
  360    HB2  LYS 864           HB2      LYS  54  14.182   2.948  12.328
  361    HB3  LYS 864           HB3      LYS  54  13.762   2.286  13.896
  362    HG2  LYS 864           HG2      LYS  54  13.435   0.822  11.181
  363    HG3  LYS 864           HG3      LYS  54  14.782   0.645  12.273
  364    HD2  LYS 864           HD2      LYS  54  13.237  -0.275  14.039
  365    HD3  LYS 864           HD3      LYS  54  11.937  -0.189  12.911
  366    HE2  LYS 864           HE2      LYS  54  12.592  -2.361  12.635
  367    HE3  LYS 864           HE3      LYS  54  13.358  -1.564  11.275
  368    HZ1  LYS 864           HZ1      LYS  54  14.906  -3.072  12.421
  369    HZ2  LYS 864           HZ2      LYS  54  14.717  -2.287  13.840
  370    HZ3  LYS 864           HZ3      LYS  54  15.460  -1.547  12.579
  371    H    GLU 865           H        GLU  55  12.117   3.198  15.329
  372    HA   GLU 865           HA       GLU  55  11.521   5.994  15.452
  373    HB2  GLU 865           HB2      GLU  55  11.959   5.752  17.796
  374    HB3  GLU 865           HB3      GLU  55  11.127   4.312  17.223
  375    HG2  GLU 865           HG2      GLU  55  13.431   3.188  17.087
  376    HG3  GLU 865           HG3      GLU  55  14.104   4.617  17.868
  377    H    ASP 866           H        ASP  56  14.268   4.611  14.196
  378    HA   ASP 866           HA       ASP  56  16.367   6.297  15.224
  379    HB2  ASP 866           HB2      ASP  56  16.090   4.534  12.821
  380    HB3  ASP 866           HB3      ASP  56  17.564   5.383  13.223
  381    H    HIS 867           H        HIS  57  13.758   6.699  12.859
  382    HA   HIS 867           HA       HIS  57  15.039   9.104  11.774
  383    HB2  HIS 867           HB2      HIS  57  13.713   8.451   9.758
  384    HB3  HIS 867           HB3      HIS  57  15.162   7.543  10.077
  385    HD1  HIS 867           HD1      HIS  57  14.566   5.508   8.717
  386    HD2  HIS 867           HD2      HIS  57  11.517   6.957  11.164
  387    HE1  HIS 867           HE1      HIS  57  12.352   5.053   7.543
  388    H    GLN 868           H        GLN  58  13.092  10.157  10.502
  389    HA   GLN 868           HA       GLN  58  10.838  10.632  12.256
  390    HB2  GLN 868           HB2      GLN  58  11.320  12.909  12.840
  391    HB3  GLN 868           HB3      GLN  58  12.632  11.886  13.386
  392    HG2  GLN 868           HG2      GLN  58  12.682  13.631  10.885
  393    HG3  GLN 868           HG3      GLN  58  13.399  14.051  12.436
  394   HE21  GLN 868          HE21      GLN  58  14.420  13.221   9.516
  395   HE22  GLN 868          HE22      GLN  58  15.719  12.091   9.922
  396    H    LEU 869           H        LEU  59   9.473  12.456  11.520
  397    HA   LEU 869           HA       LEU  59   8.954  12.091   8.611
  398    HB2  LEU 869           HB2      LEU  59   7.077  13.249  10.684
  399    HB3  LEU 869           HB3      LEU  59   6.694  12.522   9.127
  400    HG   LEU 869           HG       LEU  59   5.810  11.136  10.682
  401   HD11  LEU 869          HD11      LEU  59   6.970   9.023  10.509
  402   HD12  LEU 869          HD12      LEU  59   8.456   9.844  10.004
  403   HD13  LEU 869          HD13      LEU  59   6.980   9.936   8.978
  404   HD21  LEU 869          HD21      LEU  59   7.003  11.977  12.711
  405   HD22  LEU 869          HD22      LEU  59   8.339  10.861  12.326
  406   HD23  LEU 869          HD23      LEU  59   6.722  10.236  12.661
  407    H    GLU 870           H        GLU  60   8.012  13.766   7.333
  408    HA   GLU 870           HA       GLU  60   8.505  16.505   8.370
  409    HB2  GLU 870           HB2      GLU  60   9.209  17.248   6.230
  410    HB3  GLU 870           HB3      GLU  60  10.289  16.052   6.909
  411    HG2  GLU 870           HG2      GLU  60   9.448  14.356   5.357
  412    HG3  GLU 870           HG3      GLU  60   8.231  15.483   4.738
  413    HA   PRO 871           HA       PRO  61   4.233  16.966   7.304
  414    HB2  PRO 871           HB2      PRO  61   3.827  19.555   7.959
  415    HB3  PRO 871           HB3      PRO  61   4.211  18.315   9.193
  416    HG2  PRO 871           HG2      PRO  61   6.095  20.299   7.885
  417    HG3  PRO 871           HG3      PRO  61   5.953  19.885   9.622
  418    HD2  PRO 871           HD2      PRO  61   7.828  18.758   7.916
  419    HD3  PRO 871           HD3      PRO  61   7.166  17.925   9.348
  420    H    ILE 872           H        ILE  62   3.018  17.572   5.501
  421    HA   ILE 872           HA       ILE  62   4.169  19.584   3.613
  422    HB   ILE 872           HB       ILE  62   2.534  17.276   2.671
  423   HG12  ILE 872          HG12      ILE  62   4.506  16.222   3.852
  424   HG13  ILE 872          HG13      ILE  62   4.318  15.828   2.183
  425   HG21  ILE 872          HG21      ILE  62   4.604  19.046   1.298
  426   HG22  ILE 872          HG22      ILE  62   2.861  19.251   1.206
  427   HG23  ILE 872          HG23      ILE  62   3.602  17.804   0.514
  428   HD11  ILE 872          HD11      ILE  62   6.675  16.297   2.907
  429   HD12  ILE 872          HD12      ILE  62   6.206  17.997   3.156
  430   HD13  ILE 872          HD13      ILE  62   6.134  17.284   1.529
  431    H    TYR 873           H        TYR  63   2.911  21.226   3.430
  432    HA   TYR 873           HA       TYR  63   0.192  21.159   4.509
  433    HB2  TYR 873           HB2      TYR  63   2.111  23.438   3.950
  434    HB3  TYR 873           HB3      TYR  63   0.498  23.614   4.619
  435    HD1  TYR 873           HD1      TYR  63   3.960  22.995   5.427
  436    HD2  TYR 873           HD2      TYR  63  -0.087  22.377   6.803
  437    HE1  TYR 873           HE1      TYR  63   4.800  22.601   7.732
  438    HE2  TYR 873           HE2      TYR  63   0.761  21.974   9.112
  439    HH   TYR 873           HH       TYR  63   4.227  22.262   9.955
  440    H    ARG 874           H        ARG  64   1.080  20.291   1.751
  441    HA   ARG 874           HA       ARG  64  -1.231  21.237   0.290
  442    HB2  ARG 874           HB2      ARG  64   0.061  21.973  -1.700
  443    HB3  ARG 874           HB3      ARG  64   0.254  23.025  -0.291
  444    HG2  ARG 874           HG2      ARG  64   2.465  22.118   0.175
  445    HG3  ARG 874           HG3      ARG  64   2.265  20.865  -1.063
  446    HD2  ARG 874           HD2      ARG  64   2.103  22.579  -2.808
  447    HD3  ARG 874           HD3      ARG  64   2.274  23.859  -1.583
  448    HE   ARG 874           HE       ARG  64   4.493  22.059  -1.394
  449   HH11  ARG 874          HH11      ARG  64   3.335  24.562  -3.564
  450   HH12  ARG 874          HH12      ARG  64   4.939  24.934  -4.133
  451   HH21  ARG 874          HH21      ARG  64   6.506  22.594  -2.164
  452   HH22  ARG 874          HH22      ARG  64   6.686  23.850  -3.351
  453    H1   ALA   1           H1       ALA  65   0.728   5.431   3.471
  454    H2   ALA   1           H2       ALA  65   2.294   5.824   3.147
  455    H3   ALA   1           H3       ALA  65   1.947   4.734   4.332
  456    HA   ALA   1           HA       ALA  65   2.790   3.657   2.389
  457    HB1  ALA   1           HB1      ALA  65  -0.138   3.051   2.925
  458    HB2  ALA   1           HB2      ALA  65   1.253   2.394   3.815
  459    HB3  ALA   1           HB3      ALA  65   1.024   1.973   2.113
  460    H    ARG   2           H        ARG  66   2.973   3.627   0.264
  461    HA   ARG   2           HA       ARG  66   1.670   5.615  -1.357
  462    HB2  ARG   2           HB2      ARG  66   2.899   4.371  -3.264
  463    HB3  ARG   2           HB3      ARG  66   3.795   5.251  -2.050
  464    HG2  ARG   2           HG2      ARG  66   4.884   3.173  -2.707
  465    HG3  ARG   2           HG3      ARG  66   4.575   3.247  -0.987
  466    HD2  ARG   2           HD2      ARG  66   2.711   1.661  -1.194
  467    HD3  ARG   2           HD3      ARG  66   2.909   1.651  -2.967
  468    HE   ARG   2           HE       ARG  66   5.410   0.988  -1.738
  469   HH11  ARG   2          HH11      ARG  66   6.207  -0.960  -1.650
  470   HH12  ARG   2          HH12      ARG  66   5.205  -2.387  -1.865
  471   HH21  ARG   2          HH21      ARG  66   2.298  -0.553  -2.266
  472   HH22  ARG   2          HH22      ARG  66   3.000  -2.146  -2.210
  473    H    THR   3           H        THR  67  -0.208   5.638  -2.253
  474    HA   THR   3           HA       THR  67  -1.149   3.297  -3.827
  475    HB   THR   3           HB       THR  67  -3.490   3.817  -3.227
  476    HG1  THR   3           HG1      THR  67  -3.924   5.145  -1.496
  477   HG21  THR   3          HG21      THR  67  -1.882   3.268  -0.701
  478   HG22  THR   3          HG22      THR  67  -2.236   2.053  -1.955
  479   HG23  THR   3          HG23      THR  67  -3.560   2.806  -1.052
  480   HH31  ALY   4           H26      ALY  68  -2.648  15.476  -5.109
  481   HH32  ALY   4           H27      ALY  68  -1.026  15.338  -4.397
  482   HH33  ALY   4           H28      ALY  68  -2.458  15.134  -3.372
  483    HZ   ALY   4           HZ1      ALY  68  -0.586  13.200  -3.276
  484    HE3  ALY   4           HE3      ALY  68  -0.568  10.839  -3.293
  485    HE2  ALY   4           HE2      ALY  68  -1.918  10.858  -4.441
  486    HD3  ALY   4           HD3      ALY  68  -0.084  11.831  -6.110
  487    HD2  ALY   4           HD2      ALY  68   1.054  11.060  -5.006
  488    HG3  ALY   4           HG3      ALY  68  -1.311   9.679  -6.344
  489    HG2  ALY   4           HG2      ALY  68   0.310   9.698  -7.026
  490    HB3  ALY   4           HB3      ALY  68   1.199   8.286  -5.339
  491    HB2  ALY   4           HB2      ALY  68  -0.123   8.597  -4.245
  492    HA   ALY   4           HA       ALY  68  -1.681   7.483  -5.954
  493    H    ALY   4           H        ALY  68   0.243   6.083  -4.237
  494    H    GLN   5           H        GLN  69  -1.888   5.761  -7.512
  495    HA   GLN   5           HA       GLN  69   0.301   4.810  -9.113
  496    HB2  GLN   5           HB2      GLN  69  -2.704   4.823  -9.608
  497    HB3  GLN   5           HB3      GLN  69  -1.554   3.993 -10.642
  498    HG2  GLN   5           HG2      GLN  69  -1.952   3.394  -7.668
  499    HG3  GLN   5           HG3      GLN  69  -2.705   2.514  -8.988
  500   HE21  GLN   5          HE21      GLN  69   0.243   0.511  -7.993
  501   HE22  GLN   5          HE22      GLN  69  -1.284   0.987  -7.261
  502    H    THR   6           H        THR  70   1.014   5.293 -11.148
  503    HA   THR   6           HA       THR  70   0.885   8.037 -12.015
  504    HB   THR   6           HB       THR  70   2.002   5.613 -13.467
  505    HG1  THR   6           HG1      THR  70   3.276   7.379 -11.634
  506   HG21  THR   6          HG21      THR  70   2.020   7.518 -14.964
  507   HG22  THR   6          HG22      THR  70   3.664   7.246 -14.384
  508   HG23  THR   6          HG23      THR  70   2.690   8.574 -13.706
  509    H    ALA   7           H        ALA  71  -0.821   5.120 -13.091
  510    HA   ALA   7           HA       ALA  71  -1.615   6.070 -15.666
  511    HB1  ALA   7           HB1      ALA  71  -1.500   3.684 -15.029
  512    HB2  ALA   7           HB2      ALA  71  -3.120   4.107 -15.617
  513    HB3  ALA   7           HB3      ALA  71  -2.838   3.921 -13.877
  514    H    ARG   8           H        ARG  72  -3.673   6.586 -16.448
  515    HA   ARG   8           HA       ARG  72  -5.500   7.922 -16.659
  516    HB2  ARG   8           HB2      ARG  72  -6.355   6.646 -14.035
  517    HB3  ARG   8           HB3      ARG  72  -7.401   7.444 -15.198
  518    HG2  ARG   8           HG2      ARG  72  -5.864   4.850 -15.618
  519    HG3  ARG   8           HG3      ARG  72  -7.591   5.017 -15.363
  520    HD2  ARG   8           HD2      ARG  72  -6.049   6.030 -17.786
  521    HD3  ARG   8           HD3      ARG  72  -7.053   4.580 -17.717
  522    HE   ARG   8           HE       ARG  72  -8.735   6.662 -16.920
  523   HH11  ARG   8          HH11      ARG  72  -7.008   5.854 -19.856
  524   HH12  ARG   8          HH12      ARG  72  -8.167   6.670 -20.874
  525   HH21  ARG   8          HH21      ARG  72 -10.153   7.722 -18.265
  526   HH22  ARG   8          HH22      ARG  72  -9.901   7.702 -19.983
  Start of MODEL   18
    1    H1   GLY 811           H1       GLY   1   0.627  29.608   2.533
    2    H2   GLY 811           H2       GLY   1   1.522  29.167   1.231
    3    H3   GLY 811           H3       GLY   1   1.549  28.258   2.592
    4    HA2  GLY 811           HA2      GLY   1  -0.794  28.645   0.829
    5    HA3  GLY 811           HA3      GLY   1   0.193  27.179   0.897
    6    HA   PRO 812           HA       PRO   2  -3.582  26.955   3.718
    7    HB2  PRO 812           HB2      PRO   2  -3.808  24.341   2.220
    8    HB3  PRO 812           HB3      PRO   2  -5.112  25.411   2.817
    9    HG2  PRO 812           HG2      PRO   2  -4.422  25.468   0.205
   10    HG3  PRO 812           HG3      PRO   2  -4.638  27.026   1.073
   11    HD2  PRO 812           HD2      PRO   2  -2.045  25.545   0.502
   12    HD3  PRO 812           HD3      PRO   2  -2.446  27.271   0.225
   13    H    LEU 813           H        LEU   3  -3.917  25.692   5.571
   14    HA   LEU 813           HA       LEU   3  -2.560  23.174   5.978
   15    HB2  LEU 813           HB2      LEU   3  -1.339  23.678   7.932
   16    HB3  LEU 813           HB3      LEU   3  -0.757  24.713   6.651
   17    HG   LEU 813           HG       LEU   3  -2.622  25.665   8.865
   18   HD11  LEU 813          HD11      LEU   3  -0.461  24.906   9.767
   19   HD12  LEU 813          HD12      LEU   3  -0.607  26.663   9.854
   20   HD13  LEU 813          HD13      LEU   3   0.399  25.920   8.584
   21   HD21  LEU 813          HD21      LEU   3  -0.971  27.137   6.763
   22   HD22  LEU 813          HD22      LEU   3  -1.712  27.924   8.177
   23   HD23  LEU 813          HD23      LEU   3  -2.736  27.174   6.956
   24    H    GLY 814           H        GLY   4  -3.530  21.894   7.467
   25    HA2  GLY 814           HA2      GLY   4  -4.899  21.340   9.329
   26    HA3  GLY 814           HA3      GLY   4  -5.620  22.945   9.308
   27    H    SER 815           H        SER   5  -5.861  22.265   6.183
   28    HA   SER 815           HA       SER   5  -8.284  20.567   6.308
   29    HB2  SER 815           HB2      SER   5  -7.894  23.168   4.801
   30    HB3  SER 815           HB3      SER   5  -9.361  22.179   4.754
   31    HG   SER 815           HG       SER   5  -9.700  22.624   6.950
   32    H    VAL 816           H        VAL   6  -5.258  20.460   4.949
   33    HA   VAL 816           HA       VAL   6  -5.885  20.117   2.162
   34    HB   VAL 816           HB       VAL   6  -3.465  19.359   3.840
   35   HG11  VAL 816          HG11      VAL   6  -2.175  19.379   1.867
   36   HG12  VAL 816          HG12      VAL   6  -3.597  19.806   0.871
   37   HG13  VAL 816          HG13      VAL   6  -3.498  18.229   1.688
   38   HG21  VAL 816          HG21      VAL   6  -2.436  21.443   3.110
   39   HG22  VAL 816          HG22      VAL   6  -3.934  21.829   3.936
   40   HG23  VAL 816          HG23      VAL   6  -3.882  21.868   2.161
   41    H    GLN 817           H        GLN   7  -6.560  18.351   1.105
   42    HA   GLN 817           HA       GLN   7  -6.775  15.793   2.587
   43    HB2  GLN 817           HB2      GLN   7  -8.144  15.138   0.661
   44    HB3  GLN 817           HB3      GLN   7  -8.764  16.517   1.562
   45    HG2  GLN 817           HG2      GLN   7  -8.969  17.713  -0.280
   46    HG3  GLN 817           HG3      GLN   7  -7.248  17.631  -0.576
   47   HE21  GLN 817          HE21      GLN   7  -6.434  15.650  -1.698
   48   HE22  GLN 817          HE22      GLN   7  -7.454  15.013  -3.008
   49    H    HIS 818           H        HIS   8  -5.353  14.172   2.387
   50    HA   HIS 818           HA       HIS   8  -3.590  14.072  -0.020
   51    HB2  HIS 818           HB2      HIS   8  -3.046  12.478   2.459
   52    HB3  HIS 818           HB3      HIS   8  -1.938  13.141   1.263
   53    HD2  HIS 818           HD2      HIS   8  -1.981  16.063   1.294
   54    HE1  HIS 818           HE1      HIS   8  -2.902  16.183   5.439
   55    HE2  HIS 818           HE2      HIS   8  -2.143  17.577   3.421
   56    H    VAL 819           H        VAL   9  -5.839  13.248  -0.936
   57    HA   VAL 819           HA       VAL   9  -6.536  10.489  -0.666
   58    HB   VAL 819           HB       VAL   9  -6.843  12.335  -3.003
   59   HG11  VAL 819          HG11      VAL   9  -8.045   9.565  -2.556
   60   HG12  VAL 819          HG12      VAL   9  -6.904  10.019  -3.849
   61   HG13  VAL 819          HG13      VAL   9  -8.526  10.710  -3.823
   62   HG21  VAL 819          HG21      VAL   9  -8.786  11.301  -0.879
   63   HG22  VAL 819          HG22      VAL   9  -9.208  12.376  -2.233
   64   HG23  VAL 819          HG23      VAL   9  -8.129  12.950  -0.956
   65    H    GLY 820           H        GLY  10  -5.567   8.685  -1.153
   66    HA2  GLY 820           HA2      GLY  10  -4.095   7.275  -2.368
   67    HA3  GLY 820           HA3      GLY  10  -3.166   8.676  -2.900
   68    H    PHE 821           H        PHE  11  -3.592   9.256   0.353
   69    HA   PHE 821           HA       PHE  11  -1.245   7.601   1.211
   70    HB2  PHE 821           HB2      PHE  11  -1.639  10.537   1.799
   71    HB3  PHE 821           HB3      PHE  11  -0.229   9.541   2.125
   72    HD1  PHE 821           HD1      PHE  11  -1.961  11.612  -0.274
   73    HD2  PHE 821           HD2      PHE  11   1.296   8.881   0.284
   74    HE1  PHE 821           HE1      PHE  11  -0.913  12.492  -2.337
   75    HE2  PHE 821           HE2      PHE  11   2.309   9.670  -1.866
   76    HZ   PHE 821           HZ       PHE  11   1.239  11.555  -3.104
   77    H    LYS 822           H        LYS  12  -2.517   6.220   2.382
   78    HA   LYS 822           HA       LYS  12  -4.150   7.166   4.702
   79    HB2  LYS 822           HB2      LYS  12  -5.182   5.424   3.645
   80    HB3  LYS 822           HB3      LYS  12  -3.747   4.625   3.200
   81    HG2  LYS 822           HG2      LYS  12  -4.158   4.539   6.181
   82    HG3  LYS 822           HG3      LYS  12  -5.533   3.992   5.296
   83    HD2  LYS 822           HD2      LYS  12  -3.973   2.410   4.017
   84    HD3  LYS 822           HD3      LYS  12  -2.709   2.934   5.157
   85    HE2  LYS 822           HE2      LYS  12  -3.648   0.840   5.889
   86    HE3  LYS 822           HE3      LYS  12  -4.007   2.119   7.056
   87    HZ1  LYS 822           HZ1      LYS  12  -6.289   2.225   6.165
   88    HZ2  LYS 822           HZ2      LYS  12  -5.957   0.693   6.611
   89    HZ3  LYS 822           HZ3      LYS  12  -5.954   1.088   5.030
   90    H    CYS 823           H        CYS  13  -3.406   6.924   6.833
   91    HA   CYS 823           HA       CYS  13  -0.591   7.170   7.283
   92    HB2  CYS 823           HB2      CYS  13  -2.360   8.374   8.482
   93    HB3  CYS 823           HB3      CYS  13  -2.979   6.853   9.090
   94    H    ASP 824           H        ASP  14   0.687   5.968   8.635
   95    HA   ASP 824           HA       ASP  14   0.313   2.991   8.695
   96    HB2  ASP 824           HB2      ASP  14   2.767   4.781   8.887
   97    HB3  ASP 824           HB3      ASP  14   2.787   3.068   9.251
   98    H    ASN 825           H        ASN  15   0.799   5.825  10.745
   99    HA   ASN 825           HA       ASN  15   1.459   4.393  13.163
  100    HB2  ASN 825           HB2      ASN  15   1.911   6.800  12.736
  101    HB3  ASN 825           HB3      ASN  15   0.171   7.135  12.829
  102   HD21  ASN 825          HD21      ASN  15  -0.133   8.183  14.768
  103   HD22  ASN 825          HD22      ASN  15   0.525   7.601  16.305
  104    H    CYS 826           H        CYS  16  -1.665   5.882  12.116
  105    HA   CYS 826           HA       CYS  16  -3.057   4.211  14.124
  106    HB2  CYS 826           HB2      CYS  16  -4.504   5.966  14.529
  107    HB3  CYS 826           HB3      CYS  16  -2.924   6.730  14.453
  108    H    GLY 827           H        GLY  17  -2.821   4.697  10.690
  109    HA2  GLY 827           HA2      GLY  17  -3.537   3.233   9.135
  110    HA3  GLY 827           HA3      GLY  17  -4.589   2.437  10.274
  111    H    ILE 828           H        ILE  18  -5.044   5.841  10.402
  112    HA   ILE 828           HA       ILE  18  -7.594   5.843   9.261
  113    HB   ILE 828           HB       ILE  18  -6.845   7.613  10.745
  114   HG12  ILE 828          HG12      ILE  18  -7.411   8.872   8.024
  115   HG13  ILE 828          HG13      ILE  18  -8.640   8.036   8.926
  116   HG21  ILE 828          HG21      ILE  18  -5.021   8.594   8.485
  117   HG22  ILE 828          HG22      ILE  18  -4.476   7.857   9.989
  118   HG23  ILE 828          HG23      ILE  18  -5.335   9.378  10.042
  119   HD11  ILE 828          HD11      ILE  18  -8.337   9.614  10.837
  120   HD12  ILE 828          HD12      ILE  18  -8.902  10.370   9.335
  121   HD13  ILE 828          HD13      ILE  18  -7.213  10.558   9.825
  122    H    GLU 829           H        GLU  19  -8.325   6.285   7.296
  123    HA   GLU 829           HA       GLU  19  -6.885   5.616   4.926
  124    HB2  GLU 829           HB2      GLU  19  -9.353   7.210   4.808
  125    HB3  GLU 829           HB3      GLU  19  -8.889   5.795   3.875
  126    HG2  GLU 829           HG2      GLU  19 -10.090   5.785   6.635
  127    HG3  GLU 829           HG3      GLU  19 -10.796   5.191   5.142
  128    HA   PRO 830           HA       PRO  20  -5.253   9.124   2.882
  129    HB2  PRO 830           HB2      PRO  20  -7.982  10.218   2.183
  130    HB3  PRO 830           HB3      PRO  20  -6.414  10.420   1.339
  131    HG2  PRO 830           HG2      PRO  20  -8.117   8.494   0.576
  132    HG3  PRO 830           HG3      PRO  20  -6.366   8.136   0.697
  133    HD2  PRO 830           HD2      PRO  20  -8.605   7.471   2.581
  134    HD3  PRO 830           HD3      PRO  20  -7.102   6.542   2.261
  135    H    ILE 831           H        ILE  21  -4.206  10.343   4.220
  136    HA   ILE 831           HA       ILE  21  -5.185  11.459   6.578
  137    HB   ILE 831           HB       ILE  21  -2.665  12.015   4.987
  138   HG12  ILE 831          HG12      ILE  21  -2.846  10.415   7.561
  139   HG13  ILE 831          HG13      ILE  21  -3.257   9.646   6.044
  140   HG21  ILE 831          HG21      ILE  21  -3.157  12.763   7.908
  141   HG22  ILE 831          HG22      ILE  21  -2.896  13.912   6.582
  142   HG23  ILE 831          HG23      ILE  21  -1.599  12.856   7.070
  143   HD11  ILE 831          HD11      ILE  21  -0.581  10.961   6.622
  144   HD12  ILE 831          HD12      ILE  21  -1.071  10.215   5.090
  145   HD13  ILE 831          HD13      ILE  21  -0.928   9.234   6.562
  146    H    GLN 832           H        GLN  22  -5.318  13.605   7.375
  147    HA   GLN 832           HA       GLN  22  -5.983  15.629   5.286
  148    HB2  GLN 832           HB2      GLN  22  -7.576  15.134   7.837
  149    HB3  GLN 832           HB3      GLN  22  -7.968  16.278   6.562
  150    HG2  GLN 832           HG2      GLN  22  -7.942  13.236   6.185
  151    HG3  GLN 832           HG3      GLN  22  -9.334  14.164   6.643
  152   HE21  GLN 832          HE21      GLN  22  -8.247  12.626   4.048
  153   HE22  GLN 832          HE22      GLN  22  -8.949  13.672   2.808
  154    H    GLY 833           H        GLY  23  -5.241  17.592   5.592
  155    HA2  GLY 833           HA2      GLY  23  -5.084  19.487   7.281
  156    HA3  GLY 833           HA3      GLY  23  -4.094  18.411   8.232
  157    H    VAL 834           H        VAL  24  -2.242  17.483   7.196
  158    HA   VAL 834           HA       VAL  24  -0.746  18.836   5.105
  159    HB   VAL 834           HB       VAL  24  -0.449  20.081   7.268
  160   HG11  VAL 834          HG11      VAL  24   0.801  19.200   9.076
  161   HG12  VAL 834          HG12      VAL  24   0.983  17.635   8.241
  162   HG13  VAL 834          HG13      VAL  24  -0.630  18.184   8.777
  163   HG21  VAL 834          HG21      VAL  24   1.351  20.183   5.581
  164   HG22  VAL 834          HG22      VAL  24   2.056  18.671   6.214
  165   HG23  VAL 834          HG23      VAL  24   2.052  20.143   7.199
  166    H    ARG 835           H        ARG  25   0.621  17.198   4.124
  167    HA   ARG 835           HA       ARG  25   0.161  14.432   5.132
  168    HB2  ARG 835           HB2      ARG  25   0.274  15.196   2.595
  169    HB3  ARG 835           HB3      ARG  25   2.005  15.178   2.877
  170    HG2  ARG 835           HG2      ARG  25   1.867  12.780   3.542
  171    HG3  ARG 835           HG3      ARG  25   0.156  12.781   3.103
  172    HD2  ARG 835           HD2      ARG  25   0.639  12.935   0.815
  173    HD3  ARG 835           HD3      ARG  25   2.150  13.807   1.081
  174    HE   ARG 835           HE       ARG  25   2.100  11.001   2.031
  175   HH11  ARG 835          HH11      ARG  25   3.236  13.013  -0.648
  176   HH12  ARG 835          HH12      ARG  25   4.527  11.886  -0.965
  177   HH21  ARG 835          HH21      ARG  25   3.566   9.739   1.564
  178   HH22  ARG 835          HH22      ARG  25   4.828  10.113   0.395
  179    H    TRP 836           H        TRP  26   2.048  13.012   5.564
  180    HA   TRP 836           HA       TRP  26   4.594  14.454   6.081
  181    HB2  TRP 836           HB2      TRP  26   3.381  12.625   8.161
  182    HB3  TRP 836           HB3      TRP  26   5.027  13.086   8.076
  183    HD1  TRP 836           HD1      TRP  26   1.702  14.766   8.891
  184    HE1  TRP 836           HE1      TRP  26   2.225  17.019  10.082
  185    HE3  TRP 836           HE3      TRP  26   6.659  15.142   7.836
  186    HZ2  TRP 836           HZ2      TRP  26   4.557  18.505  10.832
  187    HZ3  TRP 836           HZ3      TRP  26   8.069  16.870   8.902
  188    HH2  TRP 836           HH2      TRP  26   7.037  18.553  10.429
  189    H    HIS 837           H        HIS  27   5.552  13.733   4.404
  190    HA   HIS 837           HA       HIS  27   5.458  10.889   3.511
  191    HB2  HIS 837           HB2      HIS  27   5.270  12.623   1.807
  192    HB3  HIS 837           HB3      HIS  27   6.659  13.473   2.421
  193    HD2  HIS 837           HD2      HIS  27   9.006  12.870   1.488
  194    HE1  HIS 837           HE1      HIS  27   7.978   9.387  -0.751
  195    HE2  HIS 837           HE2      HIS  27   9.836  11.051  -0.229
  196    H    CYS 838           H        CYS  28   6.776   9.511   4.555
  197    HA   CYS 838           HA       CYS  28   9.108  10.181   5.983
  198    HB2  CYS 838           HB2      CYS  28   7.981   7.708   4.708
  199    HB3  CYS 838           HB3      CYS  28   9.659   7.728   5.277
  200    H    GLN 839           H        GLN  29  11.126  10.725   5.481
  201    HA   GLN 839           HA       GLN  29  11.823  11.224   2.712
  202    HB2  GLN 839           HB2      GLN  29  13.515  11.392   5.227
  203    HB3  GLN 839           HB3      GLN  29  14.031  11.943   3.650
  204    HG2  GLN 839           HG2      GLN  29  11.607  13.115   5.081
  205    HG3  GLN 839           HG3      GLN  29  13.267  13.681   5.268
  206   HE21  GLN 839          HE21      GLN  29  13.089  15.739   4.386
  207   HE22  GLN 839          HE22      GLN  29  12.420  16.028   2.774
  208    H    ASP 840           H        ASP  30  12.902   8.846   5.157
  209    HA   ASP 840           HA       ASP  30  14.975   7.812   3.315
  210    HB2  ASP 840           HB2      ASP  30  15.474   8.345   5.652
  211    HB3  ASP 840           HB3      ASP  30  14.293   7.163   6.195
  212    H    CYS 841           H        CYS  31  11.889   6.714   4.741
  213    HA   CYS 841           HA       CYS  31  12.146   3.994   4.004
  214    HB2  CYS 841           HB2      CYS  31   9.603   5.598   4.402
  215    HB3  CYS 841           HB3      CYS  31   9.757   3.853   4.368
  216    HA   PRO 842           HA       PRO  32  11.971   4.349  -0.329
  217    HB2  PRO 842           HB2      PRO  32  11.488   1.800  -1.178
  218    HB3  PRO 842           HB3      PRO  32  12.942   2.240  -0.237
  219    HG2  PRO 842           HG2      PRO  32  10.349   1.060   0.796
  220    HG3  PRO 842           HG3      PRO  32  12.017   0.492   1.110
  221    HD2  PRO 842           HD2      PRO  32  10.667   2.142   2.841
  222    HD3  PRO 842           HD3      PRO  32  12.427   2.241   2.613
  223    HA   PRO 843           HA       PRO  33   7.908   5.213  -1.911
  224    HB2  PRO 843           HB2      PRO  33   8.107   4.631  -4.609
  225    HB3  PRO 843           HB3      PRO  33   8.871   6.025  -3.805
  226    HG2  PRO 843           HG2      PRO  33  10.161   3.367  -4.450
  227    HG3  PRO 843           HG3      PRO  33  10.763   5.013  -4.826
  228    HD2  PRO 843           HD2      PRO  33  11.643   3.716  -2.647
  229    HD3  PRO 843           HD3      PRO  33  11.254   5.457  -2.544
  230    H    GLU 844           H        GLU  34   9.209   2.036  -2.640
  231    HA   GLU 844           HA       GLU  34   6.838   0.636  -3.329
  232    HB2  GLU 844           HB2      GLU  34   9.113  -0.252  -3.560
  233    HB3  GLU 844           HB3      GLU  34   9.287  -0.346  -1.801
  234    HG2  GLU 844           HG2      GLU  34   7.595  -2.068  -1.650
  235    HG3  GLU 844           HG3      GLU  34   7.104  -1.812  -3.327
  236    H    MET 845           H        MET  35   8.053   1.575  -0.149
  237    HA   MET 845           HA       MET  35   5.706   0.378   1.247
  238    HB2  MET 845           HB2      MET  35   8.070   1.966   2.283
  239    HB3  MET 845           HB3      MET  35   6.704   1.381   3.250
  240    HG2  MET 845           HG2      MET  35   7.554  -0.937   1.976
  241    HG3  MET 845           HG3      MET  35   9.054  -0.079   2.260
  242    HE1  MET 845           HE1      MET  35   6.024  -1.977   3.764
  243    HE2  MET 845           HE2      MET  35   5.635  -0.362   4.409
  244    HE3  MET 845           HE3      MET  35   6.149  -1.657   5.508
  245    H    SER 846           H        SER  36   7.142   3.574   0.623
  246    HA   SER 846           HA       SER  36   6.547   5.696   1.053
  247    HB2  SER 846           HB2      SER  36   5.402   5.224  -1.089
  248    HB3  SER 846           HB3      SER  36   3.900   4.932  -0.181
  249    HG   SER 846           HG       SER  36   4.157   7.138  -0.956
  250    H    LEU 847           H        LEU  37   6.701   5.506   3.324
  251    HA   LEU 847           HA       LEU  37   4.277   4.947   4.859
  252    HB2  LEU 847           HB2      LEU  37   7.151   5.438   5.607
  253    HB3  LEU 847           HB3      LEU  37   5.915   5.575   6.818
  254    HG   LEU 847           HG       LEU  37   5.317   3.155   5.327
  255   HD11  LEU 847          HD11      LEU  37   7.490   3.210   4.372
  256   HD12  LEU 847          HD12      LEU  37   7.370   1.867   5.541
  257   HD13  LEU 847          HD13      LEU  37   8.227   3.366   5.967
  258   HD21  LEU 847          HD21      LEU  37   5.136   2.122   7.240
  259   HD22  LEU 847          HD22      LEU  37   5.320   3.719   7.982
  260   HD23  LEU 847          HD23      LEU  37   6.708   2.605   7.810
  261    H    ASP 848           H        ASP  38   3.163   6.287   6.228
  262    HA   ASP 848           HA       ASP  38   3.395   9.182   5.693
  263    HB2  ASP 848           HB2      ASP  38   0.902   7.569   5.118
  264    HB3  ASP 848           HB3      ASP  38   1.028   9.324   5.163
  265    H    PHE 849           H        PHE  39   2.557  10.513   7.222
  266    HA   PHE 849           HA       PHE  39   0.984   9.314   9.445
  267    HB2  PHE 849           HB2      PHE  39   3.319  11.186  10.057
  268    HB3  PHE 849           HB3      PHE  39   2.260  10.335  11.115
  269    HD1  PHE 849           HD1      PHE  39   4.758   9.431   8.335
  270    HD2  PHE 849           HD2      PHE  39   3.056   8.512  12.198
  271    HE1  PHE 849           HE1      PHE  39   5.947   7.345   8.371
  272    HE2  PHE 849           HE2      PHE  39   4.310   6.381  12.235
  273    HZ   PHE 849           HZ       PHE  39   5.716   5.712  10.270
  274    H    CYS 850           H        CYS  40  -0.571  10.562  10.398
  275    HA   CYS 850           HA       CYS  40  -1.442  12.995   9.289
  276    HB2  CYS 850           HB2      CYS  40  -1.852  11.861  12.082
  277    HB3  CYS 850           HB3      CYS  40  -2.911  13.017  11.282
  278    H    ASP 851           H        ASP  41  -1.747  15.069  10.575
  279    HA   ASP 851           HA       ASP  41   0.634  16.384  11.206
  280    HB2  ASP 851           HB2      ASP  41  -0.708  18.173  11.916
  281    HB3  ASP 851           HB3      ASP  41  -1.570  17.407  10.598
  282    H    SER 852           H        SER  42  -1.391  14.492  13.367
  283    HA   SER 852           HA       SER  42   0.195  15.146  15.750
  284    HB2  SER 852           HB2      SER  42  -2.237  14.844  15.938
  285    HB3  SER 852           HB3      SER  42  -2.081  13.178  15.336
  286    HG   SER 852           HG       SER  42  -2.160  13.316  17.664
  287    H    CYS 853           H        CYS  43  -0.274  12.366  13.534
  288    HA   CYS 853           HA       CYS  43   1.076  10.427  15.075
  289    HB2  CYS 853           HB2      CYS  43   0.232  10.723  12.221
  290    HB3  CYS 853           HB3      CYS  43   0.963   9.253  12.842
  291    H    SER 854           H        SER  44   2.132  12.736  12.659
  292    HA   SER 854           HA       SER  44   4.713  11.702  11.986
  293    HB2  SER 854           HB2      SER  44   5.051  13.933  11.094
  294    HB3  SER 854           HB3      SER  44   3.385  13.457  10.805
  295    HG   SER 854           HG       SER  44   3.541  15.592  11.662
  296    H    ASP 855           H        ASP  45   3.574  13.153  14.880
  297    HA   ASP 855           HA       ASP  45   6.306  13.491  15.952
  298    HB2  ASP 855           HB2      ASP  45   4.748  15.494  16.030
  299    HB3  ASP 855           HB3      ASP  45   3.688  14.555  17.082
  300    H    CYS 856           H        CYS  46   3.756  11.328  15.773
  301    HA   CYS 856           HA       CYS  46   3.913  10.268  18.502
  302    HB2  CYS 856           HB2      CYS  46   1.781  10.397  17.063
  303    HB3  CYS 856           HB3      CYS  46   2.504   9.115  16.076
  304    HG   CYS 856           HG       CYS  46   1.756   9.114  19.312
  305    H    LEU 857           H        LEU  47   4.840   9.396  15.228
  306    HA   LEU 857           HA       LEU  47   6.186   8.000  14.228
  307    HB2  LEU 857           HB2      LEU  47   7.697   8.658  16.645
  308    HB3  LEU 857           HB3      LEU  47   8.125   7.100  15.985
  309    HG   LEU 857           HG       LEU  47   9.555   8.833  15.146
  310   HD11  LEU 857          HD11      LEU  47   9.548   8.351  12.801
  311   HD12  LEU 857          HD12      LEU  47   7.845   7.887  12.813
  312   HD13  LEU 857          HD13      LEU  47   9.047   6.887  13.666
  313   HD21  LEU 857          HD21      LEU  47   7.943  10.728  15.214
  314   HD22  LEU 857          HD22      LEU  47   7.138  10.077  13.769
  315   HD23  LEU 857          HD23      LEU  47   8.824  10.620  13.682
  316    H    HIS 858           H        HIS  48   6.304   6.068  13.525
  317    HA   HIS 858           HA       HIS  48   5.919   3.678  15.236
  318    HB2  HIS 858           HB2      HIS  48   3.869   4.379  13.895
  319    HB3  HIS 858           HB3      HIS  48   4.798   4.097  12.431
  320    HD2  HIS 858           HD2      HIS  48   4.364   1.798  11.369
  321    HE1  HIS 858           HE1      HIS  48   3.570  -0.517  14.865
  322    HE2  HIS 858           HE2      HIS  48   3.735  -0.576  12.322
  323    H    GLU 859           H        GLU  49   7.086   1.787  14.318
  324    HA   GLU 859           HA       GLU  49   8.913   2.385  12.084
  325    HB2  GLU 859           HB2      GLU  49   9.825   0.870  14.577
  326    HB3  GLU 859           HB3      GLU  49  10.796   1.316  13.224
  327    HG2  GLU 859           HG2      GLU  49  10.560   3.699  13.749
  328    HG3  GLU 859           HG3      GLU  49   9.522   3.303  15.115
  329    H    THR 860           H        THR  50   9.658   0.573  10.846
  330    HA   THR 860           HA       THR  50   8.064  -1.933  11.341
  331    HB   THR 860           HB       THR  50   7.329  -2.125   9.179
  332    HG1  THR 860           HG1      THR  50   8.055  -0.864   7.481
  333   HG21  THR 860          HG21      THR  50   6.002  -0.411  10.368
  334   HG22  THR 860          HG22      THR  50   6.064  -0.091   8.621
  335   HG23  THR 860          HG23      THR  50   7.017   0.882   9.753
  336    H    ASP 861           H        ASP  51   9.125  -3.202   9.010
  337    HA   ASP 861           HA       ASP  51  11.664  -4.174  10.048
  338    HB2  ASP 861           HB2      ASP  51  10.122  -4.813   7.567
  339    HB3  ASP 861           HB3      ASP  51  11.579  -5.646   8.069
  340    H    ILE 862           H        ILE  52  10.577  -1.834   7.796
  341    HA   ILE 862           HA       ILE  52  13.289  -1.336   6.756
  342    HB   ILE 862           HB       ILE  52  10.558  -0.748   5.626
  343   HG12  ILE 862          HG12      ILE  52  12.961  -2.481   4.892
  344   HG13  ILE 862          HG13      ILE  52  11.336  -3.025   5.304
  345   HG21  ILE 862          HG21      ILE  52  11.861   1.260   5.307
  346   HG22  ILE 862          HG22      ILE  52  11.871   0.359   3.794
  347   HG23  ILE 862          HG23      ILE  52  13.301   0.313   4.876
  348   HD11  ILE 862          HD11      ILE  52  10.493  -1.901   3.250
  349   HD12  ILE 862          HD12      ILE  52  11.591  -3.276   2.978
  350   HD13  ILE 862          HD13      ILE  52  12.201  -1.620   2.784
  351    H    HIS 863           H        HIS  53  10.298   0.165   8.063
  352    HA   HIS 863           HA       HIS  53  11.420   2.811   8.006
  353    HB2  HIS 863           HB2      HIS  53   9.172   2.806   7.719
  354    HB3  HIS 863           HB3      HIS  53   8.831   1.511   8.739
  355    HD1  HIS 863           HD1      HIS  53  10.505   3.945  11.062
  356    HD2  HIS 863           HD2      HIS  53   7.201   4.029  10.225
  357    HE1  HIS 863           HE1      HIS  53  10.025   6.279  10.374
  358    H    LYS 864           H        LYS  54  12.557   3.804   9.487
  359    HA   LYS 864           HA       LYS  54  12.260   2.934  12.325
  360    HB2  LYS 864           HB2      LYS  54  14.904   3.577  10.964
  361    HB3  LYS 864           HB3      LYS  54  14.619   3.126  12.620
  362    HG2  LYS 864           HG2      LYS  54  13.980   1.260  10.214
  363    HG3  LYS 864           HG3      LYS  54  15.461   1.217  11.091
  364    HD2  LYS 864           HD2      LYS  54  14.306   0.550  13.183
  365    HD3  LYS 864           HD3      LYS  54  12.788   0.665  12.405
  366    HE2  LYS 864           HE2      LYS  54  13.219  -1.587  12.257
  367    HE3  LYS 864           HE3      LYS  54  13.612  -1.010  10.647
  368    HZ1  LYS 864           HZ1      LYS  54  15.323  -2.527  11.528
  369    HZ2  LYS 864           HZ2      LYS  54  15.608  -1.557  12.807
  370    HZ3  LYS 864           HZ3      LYS  54  15.990  -1.057  11.294
  371    H    GLU 865           H        GLU  55  12.720   4.559  13.928
  372    HA   GLU 865           HA       GLU  55  11.966   7.221  13.099
  373    HB2  GLU 865           HB2      GLU  55  11.867   7.725  15.382
  374    HB3  GLU 865           HB3      GLU  55  11.273   6.082  15.192
  375    HG2  GLU 865           HG2      GLU  55  13.589   5.276  15.913
  376    HG3  GLU 865           HG3      GLU  55  14.013   6.952  16.231
  377    H    ASP 866           H        ASP  56  14.799   5.841  12.567
  378    HA   ASP 866           HA       ASP  56  16.803   7.598  13.534
  379    HB2  ASP 866           HB2      ASP  56  16.999   5.207  12.738
  380    HB3  ASP 866           HB3      ASP  56  16.848   5.855  11.112
  381    H    HIS 867           H        HIS  57  14.462   7.891  11.013
  382    HA   HIS 867           HA       HIS  57  16.108   9.512   9.232
  383    HB2  HIS 867           HB2      HIS  57  14.428   9.086   7.662
  384    HB3  HIS 867           HB3      HIS  57  14.938   7.608   8.425
  385    HD1  HIS 867           HD1      HIS  57  12.048   9.922   9.756
  386    HD2  HIS 867           HD2      HIS  57  12.940   6.221   8.025
  387    HE1  HIS 867           HE1      HIS  57   9.799   8.867   9.199
  388    H    GLN 868           H        GLN  58  13.924  10.827   8.009
  389    HA   GLN 868           HA       GLN  58  12.884  12.896   9.821
  390    HB2  GLN 868           HB2      GLN  58  14.910  13.794   8.896
  391    HB3  GLN 868           HB3      GLN  58  14.535  13.186   7.283
  392    HG2  GLN 868           HG2      GLN  58  12.601  14.684   7.142
  393    HG3  GLN 868           HG3      GLN  58  12.940  15.297   8.763
  394   HE21  GLN 868          HE21      GLN  58  15.346  16.196   8.934
  395   HE22  GLN 868          HE22      GLN  58  15.870  17.094   7.525
  396    H    LEU 869           H        LEU  59  10.931  13.814   9.109
  397    HA   LEU 869           HA       LEU  59   9.523  12.514   6.807
  398    HB2  LEU 869           HB2      LEU  59   8.374  14.065   9.164
  399    HB3  LEU 869           HB3      LEU  59   7.489  13.198   7.903
  400    HG   LEU 869           HG       LEU  59   7.304  12.165  10.009
  401   HD11  LEU 869          HD11      LEU  59   7.729   9.869   9.304
  402   HD12  LEU 869          HD12      LEU  59   8.903  10.467   8.106
  403   HD13  LEU 869          HD13      LEU  59   7.175  10.830   7.936
  404   HD21  LEU 869          HD21      LEU  59   9.483  12.653  11.058
  405   HD22  LEU 869          HD22      LEU  59  10.190  11.340  10.077
  406   HD23  LEU 869          HD23      LEU  59   8.904  10.990  11.238
  407    H    GLU 870           H        GLU  60   8.509  13.778   5.306
  408    HA   GLU 870           HA       GLU  60   9.261  16.665   5.220
  409    HB2  GLU 870           HB2      GLU  60   9.846  15.025   3.368
  410    HB3  GLU 870           HB3      GLU  60   8.144  14.891   3.046
  411    HG2  GLU 870           HG2      GLU  60   8.860  16.406   1.501
  412    HG3  GLU 870           HG3      GLU  60   8.137  17.445   2.727
  413    HA   PRO 871           HA       PRO  61   4.807  17.324   6.044
  414    HB2  PRO 871           HB2      PRO  61   4.827  20.030   6.405
  415    HB3  PRO 871           HB3      PRO  61   5.350  18.879   7.656
  416    HG2  PRO 871           HG2      PRO  61   7.064  20.488   5.762
  417    HG3  PRO 871           HG3      PRO  61   7.339  20.144   7.496
  418    HD2  PRO 871           HD2      PRO  61   8.543  18.770   5.411
  419    HD3  PRO 871           HD3      PRO  61   8.270  18.061   7.021
  420    H    ILE 872           H        ILE  62   3.153  17.760   4.520
  421    HA   ILE 872           HA       ILE  62   3.916  19.380   2.119
  422    HB   ILE 872           HB       ILE  62   2.050  17.072   1.936
  423   HG12  ILE 872          HG12      ILE  62   4.215  16.076   2.761
  424   HG13  ILE 872          HG13      ILE  62   3.667  15.507   1.206
  425   HG21  ILE 872          HG21      ILE  62   3.751  18.532  -0.129
  426   HG22  ILE 872          HG22      ILE  62   2.015  18.712   0.126
  427   HG23  ILE 872          HG23      ILE  62   2.653  17.178  -0.467
  428   HD11  ILE 872          HD11      ILE  62   5.764  17.678   1.524
  429   HD12  ILE 872          HD12      ILE  62   5.328  16.820   0.033
  430   HD13  ILE 872          HD13      ILE  62   6.137  15.949   1.357
  431    H    TYR 873           H        TYR  63   2.692  21.047   1.865
  432    HA   TYR 873           HA       TYR  63   0.293  21.402   3.517
  433    HB2  TYR 873           HB2      TYR  63   2.241  23.290   2.162
  434    HB3  TYR 873           HB3      TYR  63   0.795  23.837   2.980
  435    HD1  TYR 873           HD1      TYR  63   0.442  23.236   5.425
  436    HD2  TYR 873           HD2      TYR  63   4.243  22.745   3.451
  437    HE1  TYR 873           HE1      TYR  63   1.590  23.173   7.644
  438    HE2  TYR 873           HE2      TYR  63   5.382  22.680   5.657
  439    HH   TYR 873           HH       TYR  63   5.147  22.900   7.952
  440    H    ARG 874           H        ARG  64   0.496  19.998   0.835
  441    HA   ARG 874           HA       ARG  64  -1.984  20.951  -0.331
  442    HB2  ARG 874           HB2      ARG  64  -1.093  21.234  -2.614
  443    HB3  ARG 874           HB3      ARG  64  -0.498  22.448  -1.491
  444    HG2  ARG 874           HG2      ARG  64   1.656  21.292  -1.279
  445    HG3  ARG 874           HG3      ARG  64   1.094  19.965  -2.294
  446    HD2  ARG 874           HD2      ARG  64   1.235  22.870  -3.162
  447    HD3  ARG 874           HD3      ARG  64   2.541  21.689  -3.432
  448    HE   ARG 874           HE       ARG  64   0.216  20.540  -4.509
  449   HH11  ARG 874          HH11      ARG  64  -0.326  20.593  -6.666
  450   HH12  ARG 874          HH12      ARG  64   0.357  21.809  -7.704
  451   HH21  ARG 874          HH21      ARG  64   2.191  23.337  -5.245
  452   HH22  ARG 874          HH22      ARG  64   1.742  23.328  -6.926
  453    H1   ALA   1           H1       ALA  65   0.425   5.572   4.201
  454    H2   ALA   1           H2       ALA  65   1.868   5.850   3.467
  455    H3   ALA   1           H3       ALA  65   1.798   4.911   4.826
  456    HA   ALA   1           HA       ALA  65   2.105   3.560   2.921
  457    HB1  ALA   1           HB1      ALA  65   0.771   2.609   4.766
  458    HB2  ALA   1           HB2      ALA  65   0.198   2.032   3.190
  459    HB3  ALA   1           HB3      ALA  65  -0.703   3.298   4.056
  460    H    ARG   2           H        ARG  66   1.968   3.508   0.787
  461    HA   ARG   2           HA       ARG  66   0.377   5.335  -0.713
  462    HB2  ARG   2           HB2      ARG  66   1.041   3.804  -2.706
  463    HB3  ARG   2           HB3      ARG  66   2.237   4.758  -1.872
  464    HG2  ARG   2           HG2      ARG  66   3.038   2.530  -2.505
  465    HG3  ARG   2           HG3      ARG  66   3.202   2.858  -0.793
  466    HD2  ARG   2           HD2      ARG  66   1.257   1.416  -0.304
  467    HD3  ARG   2           HD3      ARG  66   1.041   1.128  -2.045
  468    HE   ARG   2           HE       ARG  66   3.732   0.458  -1.238
  469   HH11  ARG   2          HH11      ARG  66   0.492  -0.888  -0.966
  470   HH12  ARG   2          HH12      ARG  66   1.108  -2.514  -0.840
  471   HH21  ARG   2          HH21      ARG  66   4.414  -1.546  -1.092
  472   HH22  ARG   2          HH22      ARG  66   3.306  -2.901  -0.911
  473    H    THR   3           H        THR  67  -1.592   5.404  -1.290
  474    HA   THR   3           HA       THR  67  -3.033   2.966  -2.226
  475    HB   THR   3           HB       THR  67  -5.146   3.858  -1.355
  476    HG1  THR   3           HG1      THR  67  -5.126   5.567   0.081
  477   HG21  THR   3          HG21      THR  67  -3.842   2.248   0.058
  478   HG22  THR   3          HG22      THR  67  -4.878   3.342   0.990
  479   HG23  THR   3          HG23      THR  67  -3.128   3.636   0.915
  480   HH31  ALY   4           H26      ALY  68  -0.335   9.264  -9.978
  481   HH32  ALY   4           H27      ALY  68  -0.331  11.002 -10.364
  482   HH33  ALY   4           H28      ALY  68  -1.779  10.027 -10.696
  483    HZ   ALY   4           HZ1      ALY  68   0.431  10.730  -8.006
  484    HE3  ALY   4           HE3      ALY  68  -0.129  11.852  -5.987
  485    HE2  ALY   4           HE2      ALY  68  -1.830  11.413  -6.183
  486    HD3  ALY   4           HD3      ALY  68   0.431   9.447  -5.576
  487    HD2  ALY   4           HD2      ALY  68  -0.648  10.163  -4.371
  488    HG3  ALY   4           HG3      ALY  68  -2.604   9.127  -5.467
  489    HG2  ALY   4           HG2      ALY  68  -1.540   8.380  -6.672
  490    HB3  ALY   4           HB3      ALY  68  -0.400   7.083  -4.923
  491    HB2  ALY   4           HB2      ALY  68  -1.324   7.902  -3.663
  492    HA   ALY   4           HA       ALY  68  -3.441   7.004  -4.755
  493    H    ALY   4           H        ALY  68  -1.460   5.410  -3.346
  494    H    GLN   5           H        GLN  69  -4.498   5.851  -6.298
  495    HA   GLN   5           HA       GLN  69  -4.969   4.653  -8.141
  496    HB2  GLN   5           HB2      GLN  69  -2.373   5.755  -9.286
  497    HB3  GLN   5           HB3      GLN  69  -3.744   5.080 -10.180
  498    HG2  GLN   5           HG2      GLN  69  -5.196   6.899  -9.179
  499    HG3  GLN   5           HG3      GLN  69  -3.728   7.646  -8.540
  500   HE21  GLN   5          HE21      GLN  69  -5.260   9.188 -10.209
  501   HE22  GLN   5          HE22      GLN  69  -4.491   9.311 -11.785
  502    H    THR   6           H        THR  70  -3.571   3.223  -6.041
  503    HA   THR   6           HA       THR  70  -1.772   1.261  -7.192
  504    HB   THR   6           HB       THR  70  -2.246   0.046  -5.008
  505    HG1  THR   6           HG1      THR  70  -4.268   0.944  -4.497
  506   HG21  THR   6          HG21      THR  70  -1.326   2.953  -4.823
  507   HG22  THR   6          HG22      THR  70  -0.314   1.554  -5.239
  508   HG23  THR   6          HG23      THR  70  -1.026   1.679  -3.619
  509    H    ALA   7           H        ALA  71  -2.141  -0.938  -7.606
  510    HA   ALA   7           HA       ALA  71  -4.566  -1.523  -9.004
  511    HB1  ALA   7           HB1      ALA  71  -2.293  -3.356  -8.124
  512    HB2  ALA   7           HB2      ALA  71  -2.348  -2.415  -9.634
  513    HB3  ALA   7           HB3      ALA  71  -3.515  -3.720  -9.360
  514    H    ARG   8           H        ARG  72  -6.071  -3.191  -8.672
  515    HA   ARG   8           HA       ARG  72  -7.150  -3.440  -6.005
  516    HB2  ARG   8           HB2      ARG  72  -8.915  -4.715  -6.999
  517    HB3  ARG   8           HB3      ARG  72  -8.565  -3.307  -8.003
  518    HG2  ARG   8           HG2      ARG  72  -7.247  -4.800  -9.558
  519    HG3  ARG   8           HG3      ARG  72  -7.743  -6.194  -8.584
  520    HD2  ARG   8           HD2      ARG  72  -9.625  -4.276 -10.023
  521    HD3  ARG   8           HD3      ARG  72  -9.130  -5.844 -10.642
  522    HE   ARG   8           HE       ARG  72 -11.065  -5.290  -8.503
  523   HH11  ARG   8          HH11      ARG  72  -9.180  -7.847  -9.996
  524   HH12  ARG   8          HH12      ARG  72 -10.191  -9.097  -9.327
  525   HH21  ARG   8          HH21      ARG  72 -12.303  -6.932  -7.697
  526   HH22  ARG   8          HH22      ARG  72 -11.917  -8.588  -8.064
  Start of MODEL   19
    1    H1   GLY 811           H1       GLY   1  -4.566  24.845  -2.603
    2    H2   GLY 811           H2       GLY   1  -5.158  26.367  -2.462
    3    H3   GLY 811           H3       GLY   1  -6.184  25.098  -2.569
    4    HA2  GLY 811           HA2      GLY   1  -6.097  25.870  -0.289
    5    HA3  GLY 811           HA3      GLY   1  -5.472  24.221  -0.441
    6    HA   PRO 812           HA       PRO   2  -2.171  27.489   0.914
    7    HB2  PRO 812           HB2      PRO   2  -2.625  28.153   3.530
    8    HB3  PRO 812           HB3      PRO   2  -3.412  28.979   2.154
    9    HG2  PRO 812           HG2      PRO   2  -4.525  26.711   3.835
   10    HG3  PRO 812           HG3      PRO   2  -5.307  28.274   3.432
   11    HD2  PRO 812           HD2      PRO   2  -5.828  26.025   2.001
   12    HD3  PRO 812           HD3      PRO   2  -5.693  27.621   1.201
   13    H    LEU 813           H        LEU   3  -0.386  27.256   2.404
   14    HA   LEU 813           HA       LEU   3   0.685  24.705   2.484
   15    HB2  LEU 813           HB2      LEU   3   1.471  27.040   4.261
   16    HB3  LEU 813           HB3      LEU   3   2.502  25.697   3.796
   17    HG   LEU 813           HG       LEU   3   1.434  27.869   1.935
   18   HD11  LEU 813          HD11      LEU   3   3.767  28.605   1.854
   19   HD12  LEU 813          HD12      LEU   3   4.238  27.329   2.999
   20   HD13  LEU 813          HD13      LEU   3   3.157  28.642   3.515
   21   HD21  LEU 813          HD21      LEU   3   2.995  26.944   0.258
   22   HD22  LEU 813          HD22      LEU   3   1.750  25.767   0.690
   23   HD23  LEU 813          HD23      LEU   3   3.390  25.606   1.361
   24    H    GLY 814           H        GLY   4  -1.313  26.100   5.004
   25    HA2  GLY 814           HA2      GLY   4  -0.609  24.016   6.998
   26    HA3  GLY 814           HA3      GLY   4  -1.653  25.413   7.234
   27    H    SER 815           H        SER   5  -2.663  23.987   4.383
   28    HA   SER 815           HA       SER   5  -4.684  22.229   5.622
   29    HB2  SER 815           HB2      SER   5  -5.362  24.576   3.823
   30    HB3  SER 815           HB3      SER   5  -6.497  23.363   4.426
   31    HG   SER 815           HG       SER   5  -5.044  25.273   5.972
   32    H    VAL 816           H        VAL   6  -2.322  21.747   3.872
   33    HA   VAL 816           HA       VAL   6  -2.962  21.312   1.167
   34    HB   VAL 816           HB       VAL   6  -0.955  20.032   3.065
   35   HG11  VAL 816          HG11      VAL   6  -0.830  20.162   0.064
   36   HG12  VAL 816          HG12      VAL   6  -1.045  18.714   1.097
   37   HG13  VAL 816          HG13      VAL   6   0.470  19.628   1.165
   38   HG21  VAL 816          HG21      VAL   6  -0.847  22.579   2.875
   39   HG22  VAL 816          HG22      VAL   6  -0.470  22.359   1.159
   40   HG23  VAL 816          HG23      VAL   6   0.596  21.708   2.440
   41    H    GLN 817           H        GLN   7  -3.979  19.737   0.097
   42    HA   GLN 817           HA       GLN   7  -5.011  17.430   1.679
   43    HB2  GLN 817           HB2      GLN   7  -6.639  17.256  -0.153
   44    HB3  GLN 817           HB3      GLN   7  -6.772  18.699   0.844
   45    HG2  GLN 817           HG2      GLN   7  -6.629  20.073  -0.891
   46    HG3  GLN 817           HG3      GLN   7  -5.130  19.348  -1.440
   47   HE21  GLN 817          HE21      GLN   7  -5.373  17.201  -2.644
   48   HE22  GLN 817          HE22      GLN   7  -6.717  17.122  -3.794
   49    H    HIS 818           H        HIS   8  -3.761  15.682   1.559
   50    HA   HIS 818           HA       HIS   8  -2.627  14.868  -1.089
   51    HB2  HIS 818           HB2      HIS   8  -1.766  14.482   1.742
   52    HB3  HIS 818           HB3      HIS   8  -1.532  13.151   0.633
   53    HD2  HIS 818           HD2      HIS   8  -0.074  16.567   1.374
   54    HE1  HIS 818           HE1      HIS   8   1.658  15.371  -2.328
   55    HE2  HIS 818           HE2      HIS   8   1.672  17.145  -0.530
   56    H    VAL 819           H        VAL   9  -4.890  14.553  -1.675
   57    HA   VAL 819           HA       VAL   9  -6.432  12.309  -0.814
   58    HB   VAL 819           HB       VAL   9  -6.322  13.689  -3.477
   59   HG11  VAL 819          HG11      VAL   9  -8.321  11.627  -2.459
   60   HG12  VAL 819          HG12      VAL   9  -7.212  11.430  -3.840
   61   HG13  VAL 819          HG13      VAL   9  -8.510  12.620  -3.920
   62   HG21  VAL 819          HG21      VAL   9  -7.141  15.085  -1.587
   63   HG22  VAL 819          HG22      VAL   9  -8.315  13.825  -1.171
   64   HG23  VAL 819          HG23      VAL   9  -8.440  14.698  -2.715
   65    H    GLY 820           H        GLY  10  -6.082  10.179  -1.004
   66    HA2  GLY 820           HA2      GLY  10  -5.237   8.197  -1.772
   67    HA3  GLY 820           HA3      GLY  10  -4.288   9.021  -3.016
   68    H    PHE 821           H        PHE  11  -3.854  10.125   0.325
   69    HA   PHE 821           HA       PHE  11  -1.667   8.127   0.752
   70    HB2  PHE 821           HB2      PHE  11  -1.439  11.070   1.412
   71    HB3  PHE 821           HB3      PHE  11  -0.268   9.809   1.746
   72    HD1  PHE 821           HD1      PHE  11   1.527   9.492   0.283
   73    HD2  PHE 821           HD2      PHE  11  -1.987  11.571  -1.067
   74    HE1  PHE 821           HE1      PHE  11   2.692  10.121  -1.840
   75    HE2  PHE 821           HE2      PHE  11  -0.798  12.312  -3.091
   76    HZ   PHE 821           HZ       PHE  11   1.541  11.617  -3.477
   77    H    LYS 822           H        LYS  12  -2.960   6.931   2.084
   78    HA   LYS 822           HA       LYS  12  -4.454   8.098   4.304
   79    HB2  LYS 822           HB2      LYS  12  -5.334   6.144   3.127
   80    HB3  LYS 822           HB3      LYS  12  -3.883   5.317   3.265
   81    HG2  LYS 822           HG2      LYS  12  -5.021   5.757   5.981
   82    HG3  LYS 822           HG3      LYS  12  -6.224   5.173   4.878
   83    HD2  LYS 822           HD2      LYS  12  -5.413   3.240   5.823
   84    HD3  LYS 822           HD3      LYS  12  -4.684   3.276   4.215
   85    HE2  LYS 822           HE2      LYS  12  -2.593   4.274   5.297
   86    HE3  LYS 822           HE3      LYS  12  -3.375   4.083   6.860
   87    HZ1  LYS 822           HZ1      LYS  12  -1.857   2.226   6.305
   88    HZ2  LYS 822           HZ2      LYS  12  -2.821   1.773   5.055
   89    HZ3  LYS 822           HZ3      LYS  12  -3.392   1.697   6.586
   90    H    CYS 823           H        CYS  13  -3.941   8.167   6.389
   91    HA   CYS 823           HA       CYS  13  -1.201   8.024   7.255
   92    HB2  CYS 823           HB2      CYS  13  -2.832   9.690   8.073
   93    HB3  CYS 823           HB3      CYS  13  -3.809   8.336   8.683
   94    H    ASP 824           H        ASP  14  -0.219   6.509   8.300
   95    HA   ASP 824           HA       ASP  14  -1.474   3.850   8.735
   96    HB2  ASP 824           HB2      ASP  14   1.395   4.825   8.859
   97    HB3  ASP 824           HB3      ASP  14   0.886   3.169   9.173
   98    H    ASN 825           H        ASN  15  -0.610   6.585  10.638
   99    HA   ASN 825           HA       ASN  15  -0.501   5.174  13.202
  100    HB2  ASN 825           HB2      ASN  15   0.511   7.418  12.930
  101    HB3  ASN 825           HB3      ASN  15  -1.128   8.089  12.660
  102   HD21  ASN 825          HD21      ASN  15  -1.209   9.407  14.472
  103   HD22  ASN 825          HD22      ASN  15  -1.134   8.752  16.118
  104    H    CYS 826           H        CYS  16  -3.131   7.271  11.771
  105    HA   CYS 826           HA       CYS  16  -4.973   6.082  13.756
  106    HB2  CYS 826           HB2      CYS  16  -6.032   8.126  13.888
  107    HB3  CYS 826           HB3      CYS  16  -4.315   8.523  13.866
  108    H    GLY 827           H        GLY  17  -4.435   6.136  10.365
  109    HA2  GLY 827           HA2      GLY  17  -5.383   4.604   8.927
  110    HA3  GLY 827           HA3      GLY  17  -6.767   4.423   9.978
  111    H    ILE 828           H        ILE  18  -6.183   7.773   9.523
  112    HA   ILE 828           HA       ILE  18  -8.463   8.171   7.965
  113    HB   ILE 828           HB       ILE  18  -7.603   9.930   9.331
  114   HG12  ILE 828          HG12      ILE  18  -7.428  10.714   6.367
  115   HG13  ILE 828          HG13      ILE  18  -8.925  10.453   7.252
  116   HG21  ILE 828          HG21      ILE  18  -5.580  11.226   8.736
  117   HG22  ILE 828          HG22      ILE  18  -5.134  10.012   7.528
  118   HG23  ILE 828          HG23      ILE  18  -5.200   9.619   9.247
  119   HD11  ILE 828          HD11      ILE  18  -8.538  12.802   7.124
  120   HD12  ILE 828          HD12      ILE  18  -6.884  12.660   7.753
  121   HD13  ILE 828          HD13      ILE  18  -8.272  12.317   8.816
  122    H    GLU 829           H        GLU  19  -8.891   8.300   5.910
  123    HA   GLU 829           HA       GLU  19  -7.279   6.796   4.080
  124    HB2  GLU 829           HB2      GLU  19  -9.699   8.424   3.835
  125    HB3  GLU 829           HB3      GLU  19  -9.003   7.751   2.399
  126    HG2  GLU 829           HG2      GLU  19 -10.066   6.227   4.842
  127    HG3  GLU 829           HG3      GLU  19 -10.865   6.332   3.276
  128    HA   PRO 830           HA       PRO  20  -5.136  10.272   2.772
  129    HB2  PRO 830           HB2      PRO  20  -6.075  11.894   1.132
  130    HB3  PRO 830           HB3      PRO  20  -6.648  10.251   0.960
  131    HG2  PRO 830           HG2      PRO  20  -8.054  12.605   2.218
  132    HG3  PRO 830           HG3      PRO  20  -8.699  11.397   1.077
  133    HD2  PRO 830           HD2      PRO  20  -8.706  11.309   3.986
  134    HD3  PRO 830           HD3      PRO  20  -9.111  10.010   2.843
  135    H    ILE 831           H        ILE  21  -3.748  11.547   3.583
  136    HA   ILE 831           HA       ILE  21  -4.338  13.024   5.923
  137    HB   ILE 831           HB       ILE  21  -1.837  12.838   4.229
  138   HG12  ILE 831          HG12      ILE  21  -2.442  11.494   6.913
  139   HG13  ILE 831          HG13      ILE  21  -2.917  10.752   5.444
  140   HG21  ILE 831          HG21      ILE  21  -2.225  14.122   6.970
  141   HG22  ILE 831          HG22      ILE  21  -1.590  14.901   5.517
  142   HG23  ILE 831          HG23      ILE  21  -0.642  13.665   6.338
  143   HD11  ILE 831          HD11      ILE  21  -0.758   9.899   6.149
  144   HD12  ILE 831          HD12      ILE  21  -0.045  11.515   6.029
  145   HD13  ILE 831          HD13      ILE  21  -0.656  10.705   4.574
  146    H    GLN 832           H        GLN  22  -4.415  15.077   6.516
  147    HA   GLN 832           HA       GLN  22  -4.633  17.161   4.407
  148    HB2  GLN 832           HB2      GLN  22  -6.109  16.998   7.053
  149    HB3  GLN 832           HB3      GLN  22  -6.338  18.195   5.777
  150    HG2  GLN 832           HG2      GLN  22  -6.980  15.215   5.585
  151    HG3  GLN 832           HG3      GLN  22  -8.129  16.511   5.781
  152   HE21  GLN 832          HE21      GLN  22  -7.204  14.434   3.498
  153   HE22  GLN 832          HE22      GLN  22  -7.466  15.455   2.078
  154    H    GLY 833           H        GLY  23  -3.690  19.085   4.732
  155    HA2  GLY 833           HA2      GLY  23  -2.968  20.926   6.096
  156    HA3  GLY 833           HA3      GLY  23  -2.484  19.842   7.341
  157    H    VAL 834           H        VAL  24  -0.821  18.191   6.575
  158    HA   VAL 834           HA       VAL  24   1.139  19.015   4.605
  159    HB   VAL 834           HB       VAL  24   1.633  20.264   6.693
  160   HG11  VAL 834          HG11      VAL  24   0.769  18.701   8.326
  161   HG12  VAL 834          HG12      VAL  24   2.412  19.242   8.700
  162   HG13  VAL 834          HG13      VAL  24   2.165  17.618   8.017
  163   HG21  VAL 834          HG21      VAL  24   3.547  19.706   5.284
  164   HG22  VAL 834          HG22      VAL  24   3.698  18.112   6.078
  165   HG23  VAL 834          HG23      VAL  24   4.014  19.606   6.975
  166    H    ARG 835           H        ARG  25   2.066  17.080   3.748
  167    HA   ARG 835           HA       ARG  25   1.120  14.530   5.016
  168    HB2  ARG 835           HB2      ARG  25   0.891  14.682   2.617
  169    HB3  ARG 835           HB3      ARG  25   2.635  14.940   2.406
  170    HG2  ARG 835           HG2      ARG  25   3.097  12.680   3.234
  171    HG3  ARG 835           HG3      ARG  25   1.395  12.473   3.700
  172    HD2  ARG 835           HD2      ARG  25   1.716  11.259   1.714
  173    HD3  ARG 835           HD3      ARG  25   0.756  12.658   1.295
  174    HE   ARG 835           HE       ARG  25   2.502  13.515   0.002
  175   HH11  ARG 835          HH11      ARG  25   3.614  10.558   1.601
  176   HH12  ARG 835          HH12      ARG  25   5.015  10.444   0.583
  177   HH21  ARG 835          HH21      ARG  25   4.366  13.274  -1.256
  178   HH22  ARG 835          HH22      ARG  25   5.401  11.905  -0.999
  179    H    TRP 836           H        TRP  26   2.655  12.883   5.593
  180    HA   TRP 836           HA       TRP  26   5.373  13.947   6.253
  181    HB2  TRP 836           HB2      TRP  26   3.535  12.541   8.175
  182    HB3  TRP 836           HB3      TRP  26   5.258  12.494   8.326
  183    HD1  TRP 836           HD1      TRP  26   2.414  14.878   8.841
  184    HE1  TRP 836           HE1      TRP  26   3.339  16.999  10.063
  185    HE3  TRP 836           HE3      TRP  26   7.377  14.124   8.149
  186    HZ2  TRP 836           HZ2      TRP  26   5.886  17.879  11.037
  187    HZ3  TRP 836           HZ3      TRP  26   9.063  15.442   9.397
  188    HH2  TRP 836           HH2      TRP  26   8.333  17.281  10.889
  189    H    HIS 837           H        HIS  27   6.290  13.007   4.596
  190    HA   HIS 837           HA       HIS  27   5.795  10.186   3.772
  191    HB2  HIS 837           HB2      HIS  27   6.107  12.075   2.128
  192    HB3  HIS 837           HB3      HIS  27   7.699  12.374   2.786
  193    HD2  HIS 837           HD2      HIS  27   9.698  10.812   2.045
  194    HE1  HIS 837           HE1      HIS  27   7.514   8.206  -0.542
  195    HE2  HIS 837           HE2      HIS  27   9.842   8.882   0.248
  196    H    CYS 838           H        CYS  28   6.926   8.512   4.761
  197    HA   CYS 838           HA       CYS  28   9.147   9.071   6.509
  198    HB2  CYS 838           HB2      CYS  28   7.465   7.290   6.717
  199    HB3  CYS 838           HB3      CYS  28   8.270   6.503   5.345
  200    H    GLN 839           H        GLN  29  11.187   9.156   6.171
  201    HA   GLN 839           HA       GLN  29  12.130   9.513   3.469
  202    HB2  GLN 839           HB2      GLN  29  13.593   9.577   6.138
  203    HB3  GLN 839           HB3      GLN  29  14.283  10.062   4.593
  204    HG2  GLN 839           HG2      GLN  29  12.084  11.588   4.450
  205    HG3  GLN 839           HG3      GLN  29  12.072  11.399   6.191
  206   HE21  GLN 839          HE21      GLN  29  12.500  13.619   6.665
  207   HE22  GLN 839          HE22      GLN  29  13.920  14.441   6.052
  208    H    ASP 840           H        ASP  30  12.549   6.911   5.876
  209    HA   ASP 840           HA       ASP  30  14.552   5.589   4.081
  210    HB2  ASP 840           HB2      ASP  30  14.988   6.058   6.551
  211    HB3  ASP 840           HB3      ASP  30  13.637   5.053   6.851
  212    H    CYS 841           H        CYS  31  11.201   5.195   5.214
  213    HA   CYS 841           HA       CYS  31  10.872   2.419   4.631
  214    HB2  CYS 841           HB2      CYS  31   8.975   4.763   4.618
  215    HB3  CYS 841           HB3      CYS  31   8.490   3.215   3.960
  216    HA   PRO 842           HA       PRO  32  11.591   2.502   0.243
  217    HB2  PRO 842           HB2      PRO  32  10.547   0.130  -0.605
  218    HB3  PRO 842           HB3      PRO  32  11.981   0.230   0.464
  219    HG2  PRO 842           HG2      PRO  32   9.098  -0.267   1.267
  220    HG3  PRO 842           HG3      PRO  32  10.562  -1.162   1.773
  221    HD2  PRO 842           HD2      PRO  32   9.422   0.871   3.258
  222    HD3  PRO 842           HD3      PRO  32  11.164   0.488   3.289
  223    HA   PRO 843           HA       PRO  33   7.995   4.380  -1.627
  224    HB2  PRO 843           HB2      PRO  33   8.898   2.972  -4.162
  225    HB3  PRO 843           HB3      PRO  33   8.347   4.662  -3.952
  226    HG2  PRO 843           HG2      PRO  33  10.984   4.135  -4.099
  227    HG3  PRO 843           HG3      PRO  33  10.395   5.243  -2.812
  228    HD2  PRO 843           HD2      PRO  33  11.101   2.306  -2.579
  229    HD3  PRO 843           HD3      PRO  33  11.529   3.671  -1.504
  230    H    GLU 844           H        GLU  34   8.503   0.951  -2.324
  231    HA   GLU 844           HA       GLU  34   5.925   0.184  -3.163
  232    HB2  GLU 844           HB2      GLU  34   7.949  -1.199  -3.281
  233    HB3  GLU 844           HB3      GLU  34   7.999  -1.336  -1.517
  234    HG2  GLU 844           HG2      GLU  34   5.902  -2.597  -1.503
  235    HG3  GLU 844           HG3      GLU  34   5.695  -2.346  -3.238
  236    H    MET 845           H        MET  35   7.111   0.757   0.103
  237    HA   MET 845           HA       MET  35   4.510  -0.042   1.344
  238    HB2  MET 845           HB2      MET  35   7.217   0.714   2.505
  239    HB3  MET 845           HB3      MET  35   5.803   0.387   3.489
  240    HG2  MET 845           HG2      MET  35   6.956  -1.604   1.508
  241    HG3  MET 845           HG3      MET  35   7.406  -1.535   3.205
  242    HE1  MET 845           HE1      MET  35   4.724  -1.152   4.903
  243    HE2  MET 845           HE2      MET  35   6.003  -2.355   5.205
  244    HE3  MET 845           HE3      MET  35   4.304  -2.854   5.120
  245    H    SER 846           H        SER  36   6.682   2.785   1.119
  246    HA   SER 846           HA       SER  36   6.455   4.972   1.792
  247    HB2  SER 846           HB2      SER  36   5.683   4.863  -0.517
  248    HB3  SER 846           HB3      SER  36   4.014   4.621   0.025
  249    HG   SER 846           HG       SER  36   4.029   6.700   0.905
  250    H    LEU 847           H        LEU  37   6.108   4.607   4.125
  251    HA   LEU 847           HA       LEU  37   3.322   4.636   5.048
  252    HB2  LEU 847           HB2      LEU  37   5.980   4.358   6.479
  253    HB3  LEU 847           HB3      LEU  37   4.566   4.914   7.352
  254    HG   LEU 847           HG       LEU  37   3.428   2.799   6.108
  255   HD11  LEU 847          HD11      LEU  37   5.457   2.130   4.911
  256   HD12  LEU 847          HD12      LEU  37   4.804   0.872   5.986
  257   HD13  LEU 847          HD13      LEU  37   6.237   1.797   6.462
  258   HD21  LEU 847          HD21      LEU  37   3.406   1.603   8.009
  259   HD22  LEU 847          HD22      LEU  37   3.554   3.268   8.568
  260   HD23  LEU 847          HD23      LEU  37   4.981   2.199   8.556
  261    H    ASP 848           H        ASP  38   2.358   6.296   6.378
  262    HA   ASP 848           HA       ASP  38   3.478   8.969   5.936
  263    HB2  ASP 848           HB2      ASP  38   0.775   8.225   4.798
  264    HB3  ASP 848           HB3      ASP  38   1.457   9.840   4.930
  265    H    PHE 849           H        PHE  39   2.609  10.583   7.242
  266    HA   PHE 849           HA       PHE  39   0.366   9.806   9.045
  267    HB2  PHE 849           HB2      PHE  39   2.880  11.103  10.174
  268    HB3  PHE 849           HB3      PHE  39   1.507  10.435  11.007
  269    HD1  PHE 849           HD1      PHE  39   1.036   8.018  10.951
  270    HD2  PHE 849           HD2      PHE  39   4.660   9.602   9.296
  271    HE1  PHE 849           HE1      PHE  39   1.994   5.724  10.903
  272    HE2  PHE 849           HE2      PHE  39   5.582   7.302   9.120
  273    HZ   PHE 849           HZ       PHE  39   4.246   5.355   9.915
  274    H    CYS 850           H        CYS  40  -0.839  11.432  10.069
  275    HA   CYS 850           HA       CYS  40  -1.117  13.949   8.791
  276    HB2  CYS 850           HB2      CYS  40  -2.042  13.025  11.547
  277    HB3  CYS 850           HB3      CYS  40  -2.709  14.379  10.630
  278    H    ASP 851           H        ASP  41  -1.118  16.042  10.039
  279    HA   ASP 851           HA       ASP  41   1.415  16.897  10.895
  280    HB2  ASP 851           HB2      ASP  41   0.384  18.938  11.402
  281    HB3  ASP 851           HB3      ASP  41  -0.503  18.292  10.040
  282    H    SER 852           H        SER  42  -1.176  15.505  12.805
  283    HA   SER 852           HA       SER  42   0.144  15.941  15.386
  284    HB2  SER 852           HB2      SER  42  -2.298  16.121  15.177
  285    HB3  SER 852           HB3      SER  42  -2.378  14.437  14.607
  286    HG   SER 852           HG       SER  42  -2.819  14.677  16.889
  287    H    CYS 853           H        CYS  43  -0.528  13.247  13.125
  288    HA   CYS 853           HA       CYS  43   0.144  11.159  14.923
  289    HB2  CYS 853           HB2      CYS  43  -0.321  11.457  11.965
  290    HB3  CYS 853           HB3      CYS  43  -0.037   9.916  12.737
  291    H    SER 854           H        SER  44   1.954  12.986  12.520
  292    HA   SER 854           HA       SER  44   4.252  11.295  12.178
  293    HB2  SER 854           HB2      SER  44   5.296  13.360  11.403
  294    HB3  SER 854           HB3      SER  44   3.633  13.276  10.808
  295    HG   SER 854           HG       SER  44   4.113  15.343  11.695
  296    H    ASP 855           H        ASP  45   3.225  13.348  14.797
  297    HA   ASP 855           HA       ASP  45   5.805  13.217  16.193
  298    HB2  ASP 855           HB2      ASP  45   4.387  15.322  16.111
  299    HB3  ASP 855           HB3      ASP  45   3.209  14.485  17.124
  300    H    CYS 856           H        CYS  46   3.070  11.275  15.854
  301    HA   CYS 856           HA       CYS  46   2.828  10.349  18.596
  302    HB2  CYS 856           HB2      CYS  46   1.002  10.501  16.764
  303    HB3  CYS 856           HB3      CYS  46   1.704   9.010  16.110
  304    HG   CYS 856           HG       CYS  46   1.502   7.595  18.303
  305    H    LEU 857           H        LEU  47   4.755   9.535  15.877
  306    HA   LEU 857           HA       LEU  47   6.219   8.003  15.282
  307    HB2  LEU 857           HB2      LEU  47   7.006   8.816  17.744
  308    HB3  LEU 857           HB3      LEU  47   6.948   7.086  17.989
  309    HG   LEU 857           HG       LEU  47   9.138   7.602  17.303
  310   HD11  LEU 857          HD11      LEU  47   7.822   6.612  14.734
  311   HD12  LEU 857          HD12      LEU  47   8.230   5.605  16.148
  312   HD13  LEU 857          HD13      LEU  47   9.495   6.439  15.221
  313   HD21  LEU 857          HD21      LEU  47   9.774   8.881  15.334
  314   HD22  LEU 857          HD22      LEU  47   8.733   9.853  16.379
  315   HD23  LEU 857          HD23      LEU  47   8.076   9.136  14.893
  316    H    HIS 858           H        HIS  48   5.302   6.512  14.130
  317    HA   HIS 858           HA       HIS  48   4.076   4.090  15.392
  318    HB2  HIS 858           HB2      HIS  48   2.633   5.534  13.948
  319    HB3  HIS 858           HB3      HIS  48   3.749   5.250  12.613
  320    HD2  HIS 858           HD2      HIS  48   3.140   3.252  11.074
  321    HE1  HIS 858           HE1      HIS  48   0.672   1.003  13.727
  322    HE2  HIS 858           HE2      HIS  48   1.583   1.140  11.357
  323    H    GLU 859           H        GLU  49   4.646   2.000  14.453
  324    HA   GLU 859           HA       GLU  49   6.883   1.927  12.571
  325    HB2  GLU 859           HB2      GLU  49   6.944   0.290  15.160
  326    HB3  GLU 859           HB3      GLU  49   8.204   0.389  13.987
  327    HG2  GLU 859           HG2      GLU  49   8.592   2.769  14.574
  328    HG3  GLU 859           HG3      GLU  49   7.276   2.660  15.748
  329    H    THR 860           H        THR  50   7.168  -0.038  11.435
  330    HA   THR 860           HA       THR  50   5.128  -2.186  11.967
  331    HB   THR 860           HB       THR  50   4.689  -2.536   9.681
  332    HG1  THR 860           HG1      THR  50   5.698  -1.300   8.063
  333   HG21  THR 860          HG21      THR  50   3.652  -0.480   8.933
  334   HG22  THR 860          HG22      THR  50   4.587   0.482  10.118
  335   HG23  THR 860          HG23      THR  50   3.393  -0.681  10.686
  336    H    ASP 861           H        ASP  51   6.219  -3.764   9.762
  337    HA   ASP 861           HA       ASP  51   8.489  -5.021  11.082
  338    HB2  ASP 861           HB2      ASP  51   7.053  -5.621   8.529
  339    HB3  ASP 861           HB3      ASP  51   8.338  -6.603   9.200
  340    H    ILE 862           H        ILE  52   7.907  -2.767   8.509
  341    HA   ILE 862           HA       ILE  52  10.757  -2.741   7.745
  342    HB   ILE 862           HB       ILE  52   8.306  -1.450   6.481
  343   HG12  ILE 862          HG12      ILE  52   8.708  -3.851   5.899
  344   HG13  ILE 862          HG13      ILE  52   8.682  -2.738   4.557
  345   HG21  ILE 862          HG21      ILE  52  10.002  -0.638   4.778
  346   HG22  ILE 862          HG22      ILE  52  11.252  -0.968   6.012
  347   HG23  ILE 862          HG23      ILE  52   9.972   0.218   6.326
  348   HD11  ILE 862          HD11      ILE  52  10.432  -4.449   4.322
  349   HD12  ILE 862          HD12      ILE  52  11.221  -3.858   5.797
  350   HD13  ILE 862          HD13      ILE  52  11.109  -2.811   4.350
  351    H    HIS 863           H        HIS  53   8.033  -0.687   8.794
  352    HA   HIS 863           HA       HIS  53   9.630   1.720   8.881
  353    HB2  HIS 863           HB2      HIS  53   7.352   1.995   8.378
  354    HB3  HIS 863           HB3      HIS  53   6.792   0.937   9.589
  355    HD1  HIS 863           HD1      HIS  53   8.789   3.204  11.793
  356    HD2  HIS 863           HD2      HIS  53   5.847   4.033  10.564
  357    HE1  HIS 863           HE1      HIS  53   9.078   5.459  10.795
  358    H    LYS 864           H        LYS  54  10.912   2.384  10.569
  359    HA   LYS 864           HA       LYS  54  10.067   1.545  13.311
  360    HB2  LYS 864           HB2      LYS  54  12.870   1.408  12.158
  361    HB3  LYS 864           HB3      LYS  54  12.383   1.127  13.816
  362    HG2  LYS 864           HG2      LYS  54  11.524  -0.577  11.377
  363    HG3  LYS 864           HG3      LYS  54  12.854  -0.950  12.432
  364    HD2  LYS 864           HD2      LYS  54  11.248  -1.192  14.369
  365    HD3  LYS 864           HD3      LYS  54   9.943  -0.962  13.265
  366    HE2  LYS 864           HE2      LYS  54  10.046  -3.236  13.209
  367    HE3  LYS 864           HE3      LYS  54  11.020  -2.831  11.810
  368    HZ1  LYS 864           HZ1      LYS  54  12.101  -3.531  14.508
  369    HZ2  LYS 864           HZ2      LYS  54  13.032  -3.149  13.213
  370    HZ3  LYS 864           HZ3      LYS  54  12.124  -4.507  13.209
  371    H    GLU 865           H        GLU  55  11.076   2.800  15.096
  372    HA   GLU 865           HA       GLU  55  11.318   5.598  14.507
  373    HB2  GLU 865           HB2      GLU  55  11.598   5.891  16.821
  374    HB3  GLU 865           HB3      GLU  55  10.414   4.615  16.601
  375    HG2  GLU 865           HG2      GLU  55  12.290   2.934  16.998
  376    HG3  GLU 865           HG3      GLU  55  13.351   4.286  17.389
  377    H    ASP 866           H        ASP  56  13.458   3.326  13.641
  378    HA   ASP 866           HA       ASP  56  16.014   4.477  14.327
  379    HB2  ASP 866           HB2      ASP  56  15.085   2.513  12.269
  380    HB3  ASP 866           HB3      ASP  56  16.759   2.982  12.450
  381    H    HIS 867           H        HIS  57  13.440   5.135  11.953
  382    HA   HIS 867           HA       HIS  57  15.204   6.933  10.463
  383    HB2  HIS 867           HB2      HIS  57  13.550   6.424   8.648
  384    HB3  HIS 867           HB3      HIS  57  14.760   5.233   9.016
  385    HD1  HIS 867           HD1      HIS  57  13.584   3.262   7.979
  386    HD2  HIS 867           HD2      HIS  57  11.184   5.706  10.352
  387    HE1  HIS 867           HE1      HIS  57  11.218   3.213   7.013
  388    H    GLN 868           H        GLN  58  13.696   8.353   9.183
  389    HA   GLN 868           HA       GLN  58  12.055   9.920  11.081
  390    HB2  GLN 868           HB2      GLN  58  13.204  11.894  10.663
  391    HB3  GLN 868           HB3      GLN  58  14.359  10.656  11.158
  392    HG2  GLN 868           HG2      GLN  58  14.942  10.345   8.689
  393    HG3  GLN 868           HG3      GLN  58  13.933  11.768   8.350
  394   HE21  GLN 868          HE21      GLN  58  14.679  13.279  10.774
  395   HE22  GLN 868          HE22      GLN  58  16.395  13.578  10.675
  396    H    LEU 869           H        LEU  59  10.807  11.652  10.104
  397    HA   LEU 869           HA       LEU  59   9.660  10.900   7.457
  398    HB2  LEU 869           HB2      LEU  59   8.486  12.681   9.619
  399    HB3  LEU 869           HB3      LEU  59   7.680  11.982   8.211
  400    HG   LEU 869           HG       LEU  59   6.823  10.918  10.030
  401   HD11  LEU 869          HD11      LEU  59   7.369   8.574   9.700
  402   HD12  LEU 869          HD12      LEU  59   8.859   9.019   8.867
  403   HD13  LEU 869          HD13      LEU  59   7.273   9.460   8.162
  404   HD21  LEU 869          HD21      LEU  59   8.620  11.409  11.714
  405   HD22  LEU 869          HD22      LEU  59   9.475   9.960  11.113
  406   HD23  LEU 869          HD23      LEU  59   7.862   9.815  11.815
  407    H    GLU 870           H        GLU  60   8.887  12.555   6.050
  408    HA   GLU 870           HA       GLU  60  10.343  15.167   6.187
  409    HB2  GLU 870           HB2      GLU  60  11.008  13.572   4.345
  410    HB3  GLU 870           HB3      GLU  60   9.370  13.625   3.773
  411    HG2  GLU 870           HG2      GLU  60  10.479  15.027   2.386
  412    HG3  GLU 870           HG3      GLU  60   9.678  16.155   3.477
  413    HA   PRO 871           HA       PRO  61   6.045  16.656   6.240
  414    HB2  PRO 871           HB2      PRO  61   6.483  19.298   6.694
  415    HB3  PRO 871           HB3      PRO  61   6.660  18.059   7.962
  416    HG2  PRO 871           HG2      PRO  61   8.824  19.390   6.336
  417    HG3  PRO 871           HG3      PRO  61   8.824  18.988   8.080
  418    HD2  PRO 871           HD2      PRO  61  10.006  17.451   6.070
  419    HD3  PRO 871           HD3      PRO  61   9.503  16.806   7.648
  420    H    ILE 872           H        ILE  62   4.779  17.273   4.504
  421    HA   ILE 872           HA       ILE  62   6.095  18.680   2.216
  422    HB   ILE 872           HB       ILE  62   3.843  16.766   1.854
  423   HG12  ILE 872          HG12      ILE  62   5.548  15.366   2.966
  424   HG13  ILE 872          HG13      ILE  62   5.247  14.881   1.324
  425   HG21  ILE 872          HG21      ILE  62   4.667  16.717  -0.461
  426   HG22  ILE 872          HG22      ILE  62   6.075  17.703  -0.012
  427   HG23  ILE 872          HG23      ILE  62   4.464  18.392   0.062
  428   HD11  ILE 872          HD11      ILE  62   7.595  16.629   2.107
  429   HD12  ILE 872          HD12      ILE  62   7.309  15.852   0.540
  430   HD13  ILE 872          HD13      ILE  62   7.656  14.860   1.970
  431    H    TYR 873           H        TYR  63   5.359  20.570   2.032
  432    HA   TYR 873           HA       TYR  63   2.822  21.384   3.242
  433    HB2  TYR 873           HB2      TYR  63   5.225  22.998   2.321
  434    HB3  TYR 873           HB3      TYR  63   3.786  23.664   3.080
  435    HD1  TYR 873           HD1      TYR  63   7.022  22.208   3.724
  436    HD2  TYR 873           HD2      TYR  63   3.097  22.831   5.403
  437    HE1  TYR 873           HE1      TYR  63   7.943  21.862   6.006
  438    HE2  TYR 873           HE2      TYR  63   4.020  22.479   7.692
  439    HH   TYR 873           HH       TYR  63   7.512  21.948   8.289
  440    H    ARG 874           H        ARG  64   3.222  20.073   0.538
  441    HA   ARG 874           HA       ARG  64   1.283  21.651  -0.960
  442    HB2  ARG 874           HB2      ARG  64   2.684  21.768  -2.996
  443    HB3  ARG 874           HB3      ARG  64   3.307  22.769  -1.683
  444    HG2  ARG 874           HG2      ARG  64   5.118  21.229  -1.241
  445    HG3  ARG 874           HG3      ARG  64   4.377  19.975  -2.243
  446    HD2  ARG 874           HD2      ARG  64   6.147  20.901  -3.500
  447    HD3  ARG 874           HD3      ARG  64   4.600  21.390  -4.229
  448    HE   ARG 874           HE       ARG  64   5.556  23.407  -2.391
  449   HH11  ARG 874          HH11      ARG  64   6.256  22.219  -5.609
  450   HH12  ARG 874          HH12      ARG  64   6.910  23.750  -6.128
  451   HH21  ARG 874          HH21      ARG  64   6.403  25.331  -3.125
  452   HH22  ARG 874          HH22      ARG  64   6.985  25.459  -4.757
  453    H1   ALA   1           H1       ALA  65  -0.084   6.104   4.106
  454    H2   ALA   1           H2       ALA  65   1.463   6.275   3.561
  455    H3   ALA   1           H3       ALA  65   1.116   5.194   4.760
  456    HA   ALA   1           HA       ALA  65   1.483   4.074   2.695
  457    HB1  ALA   1           HB1      ALA  65  -0.646   2.811   2.543
  458    HB2  ALA   1           HB2      ALA  65  -1.389   3.978   3.660
  459    HB3  ALA   1           HB3      ALA  65  -0.024   2.950   4.188
  460    H    ARG   2           H        ARG  66   1.615   4.407   0.604
  461    HA   ARG   2           HA       ARG  66   0.068   6.302  -0.886
  462    HB2  ARG   2           HB2      ARG  66   1.108   5.480  -2.815
  463    HB3  ARG   2           HB3      ARG  66   2.311   5.345  -1.555
  464    HG2  ARG   2           HG2      ARG  66   0.710   3.100  -2.847
  465    HG3  ARG   2           HG3      ARG  66   2.418   3.424  -3.032
  466    HD2  ARG   2           HD2      ARG  66   2.888   2.767  -0.749
  467    HD3  ARG   2           HD3      ARG  66   1.174   2.575  -0.371
  468    HE   ARG   2           HE       ARG  66   2.892   0.671  -1.659
  469   HH11  ARG   2          HH11      ARG  66   2.166  -1.304  -2.133
  470   HH12  ARG   2          HH12      ARG  66   0.461  -1.644  -2.232
  471   HH21  ARG   2          HH21      ARG  66  -0.537   1.580  -1.455
  472   HH22  ARG   2          HH22      ARG  66  -1.033  -0.052  -1.824
  473    H    THR   3           H        THR  67  -1.947   6.285  -1.488
  474    HA   THR   3           HA       THR  67  -3.395   3.803  -2.253
  475    HB   THR   3           HB       THR  67  -5.410   4.654  -1.028
  476    HG1  THR   3           HG1      THR  67  -5.207   6.267   0.434
  477   HG21  THR   3          HG21      THR  67  -4.809   3.884   1.167
  478   HG22  THR   3          HG22      THR  67  -3.087   4.190   0.876
  479   HG23  THR   3          HG23      THR  67  -3.928   2.896  -0.009
  480   HH31  ALY   4           H26      ALY  68   1.968  13.746  -4.892
  481   HH32  ALY   4           H27      ALY  68   1.216  15.351  -5.064
  482   HH33  ALY   4           H28      ALY  68   1.728  14.448  -6.508
  483    HZ   ALY   4           HZ1      ALY  68   0.778  12.111  -6.476
  484    HE3  ALY   4           HE3      ALY  68  -2.105  12.116  -5.688
  485    HE2  ALY   4           HE2      ALY  68  -1.585  11.615  -7.312
  486    HD3  ALY   4           HD3      ALY  68  -0.244   9.789  -6.313
  487    HD2  ALY   4           HD2      ALY  68  -0.688  10.349  -4.693
  488    HG3  ALY   4           HG3      ALY  68  -3.124   9.943  -5.306
  489    HG2  ALY   4           HG2      ALY  68  -2.545   9.188  -6.803
  490    HB3  ALY   4           HB3      ALY  68  -1.169   7.599  -5.379
  491    HB2  ALY   4           HB2      ALY  68  -1.844   8.379  -3.951
  492    HA   ALY   4           HA       ALY  68  -4.154   7.699  -4.808
  493    H    ALY   4           H        ALY  68  -2.077   5.842  -3.790
  494    H    GLN   5           H        GLN  69  -5.212   5.679  -5.685
  495    HA   GLN   5           HA       GLN  69  -5.755   4.163  -7.261
  496    HB2  GLN   5           HB2      GLN  69  -4.388   6.003  -9.255
  497    HB3  GLN   5           HB3      GLN  69  -5.565   4.736  -9.607
  498    HG2  GLN   5           HG2      GLN  69  -7.219   5.966  -8.111
  499    HG3  GLN   5           HG3      GLN  69  -6.071   7.312  -8.076
  500   HE21  GLN   5          HE21      GLN  69  -5.221   7.769 -10.601
  501   HE22  GLN   5          HE22      GLN  69  -6.585   7.950 -11.689
  502    H    THR   6           H        THR  70  -3.243   3.813  -5.811
  503    HA   THR   6           HA       THR  70  -1.299   2.566  -7.581
  504    HB   THR   6           HB       THR  70  -0.191   2.090  -5.296
  505    HG1  THR   6           HG1      THR  70  -1.972   2.304  -3.935
  506   HG21  THR   6          HG21      THR  70   0.436   4.016  -6.720
  507   HG22  THR   6          HG22      THR  70   0.495   4.405  -4.992
  508   HG23  THR   6          HG23      THR  70  -0.862   4.974  -5.975
  509    H    ALA   7           H        ALA  71  -4.109   1.355  -5.998
  510    HA   ALA   7           HA       ALA  71  -3.224  -1.342  -5.504
  511    HB1  ALA   7           HB1      ALA  71  -6.015  -0.204  -5.941
  512    HB2  ALA   7           HB2      ALA  71  -5.171  -0.317  -4.380
  513    HB3  ALA   7           HB3      ALA  71  -5.631  -1.797  -5.252
  514    H    ARG   8           H        ARG  72  -3.686  -3.235  -6.653
  515    HA   ARG   8           HA       ARG  72  -4.446  -3.109  -9.520
  516    HB2  ARG   8           HB2      ARG  72  -1.911  -4.390  -8.416
  517    HB3  ARG   8           HB3      ARG  72  -2.539  -4.664 -10.032
  518    HG2  ARG   8           HG2      ARG  72  -1.575  -1.980  -8.943
  519    HG3  ARG   8           HG3      ARG  72  -0.659  -3.049  -9.992
  520    HD2  ARG   8           HD2      ARG  72  -3.280  -1.702 -10.743
  521    HD3  ARG   8           HD3      ARG  72  -1.669  -1.147 -11.201
  522    HE   ARG   8           HE       ARG  72  -1.753  -3.767 -12.105
  523   HH11  ARG   8          HH11      ARG  72  -3.648  -0.898 -12.796
  524   HH12  ARG   8          HH12      ARG  72  -4.041  -1.438 -14.405
  525   HH21  ARG   8          HH21      ARG  72  -2.317  -4.399 -14.152
  526   HH22  ARG   8          HH22      ARG  72  -3.299  -3.367 -15.151
  Start of MODEL   20
    1    H1   GLY 811           H1       GLY   1  -0.748  28.577  -2.646
    2    H2   GLY 811           H2       GLY   1  -2.308  28.978  -2.958
    3    H3   GLY 811           H3       GLY   1  -1.490  28.010  -3.992
    4    HA2  GLY 811           HA2      GLY   1  -3.026  26.694  -2.686
    5    HA3  GLY 811           HA3      GLY   1  -1.344  26.244  -2.366
    6    HA   PRO 812           HA       PRO   2  -3.734  27.895   1.424
    7    HB2  PRO 812           HB2      PRO   2  -5.048  25.772   2.515
    8    HB3  PRO 812           HB3      PRO   2  -5.693  26.679   1.115
    9    HG2  PRO 812           HG2      PRO   2  -4.082  24.100   1.057
   10    HG3  PRO 812           HG3      PRO   2  -5.654  24.439   0.261
   11    HD2  PRO 812           HD2      PRO   2  -3.301  24.682  -1.076
   12    HD3  PRO 812           HD3      PRO   2  -4.649  25.833  -1.348
   13    H    LEU 813           H        LEU   3  -1.580  25.286   1.077
   14    HA   LEU 813           HA       LEU   3   0.077  24.312   2.227
   15    HB2  LEU 813           HB2      LEU   3  -0.002  26.675   4.103
   16    HB3  LEU 813           HB3      LEU   3   1.337  25.565   3.862
   17    HG   LEU 813           HG       LEU   3   0.270  27.490   1.744
   18   HD11  LEU 813          HD11      LEU   3   1.328  28.650   3.630
   19   HD12  LEU 813          HD12      LEU   3   2.332  28.743   2.172
   20   HD13  LEU 813          HD13      LEU   3   2.763  27.614   3.476
   21   HD21  LEU 813          HD21      LEU   3   2.346  26.951   0.521
   22   HD22  LEU 813          HD22      LEU   3   1.349  25.505   0.730
   23   HD23  LEU 813          HD23      LEU   3   2.780  25.757   1.762
   24    H    GLY 814           H        GLY   4  -2.442  25.311   4.504
   25    HA2  GLY 814           HA2      GLY   4  -1.779  23.075   6.354
   26    HA3  GLY 814           HA3      GLY   4  -2.807  24.466   6.686
   27    H    SER 815           H        SER   5  -3.603  23.039   3.709
   28    HA   SER 815           HA       SER   5  -5.807  21.411   4.803
   29    HB2  SER 815           HB2      SER   5  -6.227  23.626   2.770
   30    HB3  SER 815           HB3      SER   5  -7.465  22.555   3.442
   31    HG   SER 815           HG       SER   5  -7.449  24.573   4.526
   32    H    VAL 816           H        VAL   6  -3.294  20.778   3.309
   33    HA   VAL 816           HA       VAL   6  -3.737  20.209   0.566
   34    HB   VAL 816           HB       VAL   6  -1.781  19.157   2.665
   35   HG11  VAL 816          HG11      VAL   6  -1.657  17.768   0.768
   36   HG12  VAL 816          HG12      VAL   6  -0.220  18.799   0.827
   37   HG13  VAL 816          HG13      VAL   6  -1.523  19.169  -0.335
   38   HG21  VAL 816          HG21      VAL   6  -0.288  20.854   2.098
   39   HG22  VAL 816          HG22      VAL   6  -1.786  21.702   2.373
   40   HG23  VAL 816          HG23      VAL   6  -1.274  21.410   0.701
   41    H    GLN 817           H        GLN   7  -4.677  18.525  -0.406
   42    HA   GLN 817           HA       GLN   7  -5.383  16.135   1.196
   43    HB2  GLN 817           HB2      GLN   7  -6.654  15.518  -0.715
   44    HB3  GLN 817           HB3      GLN   7  -7.021  17.188  -0.310
   45    HG2  GLN 817           HG2      GLN   7  -6.660  17.706  -2.455
   46    HG3  GLN 817           HG3      GLN   7  -4.966  17.507  -2.171
   47   HE21  GLN 817          HE21      GLN   7  -7.404  16.490  -4.261
   48   HE22  GLN 817          HE22      GLN   7  -6.653  15.000  -4.795
   49    H    HIS 818           H        HIS   8  -4.360  14.187   0.988
   50    HA   HIS 818           HA       HIS   8  -2.572  13.755  -1.361
   51    HB2  HIS 818           HB2      HIS   8  -1.894  13.550   1.507
   52    HB3  HIS 818           HB3      HIS   8  -1.424  12.166   0.535
   53    HD2  HIS 818           HD2      HIS   8  -0.592  15.797   1.040
   54    HE1  HIS 818           HE1      HIS   8   1.748  14.618  -2.308
   55    HE2  HIS 818           HE2      HIS   8   1.239  16.527  -0.729
   56    H    VAL 819           H        VAL   9  -4.648  13.154  -2.199
   57    HA   VAL 819           HA       VAL   9  -5.835  10.592  -1.806
   58    HB   VAL 819           HB       VAL   9  -5.570  12.408  -4.196
   59   HG11  VAL 819          HG11      VAL   9  -5.849  10.136  -5.103
   60   HG12  VAL 819          HG12      VAL   9  -7.336  11.078  -5.259
   61   HG13  VAL 819          HG13      VAL   9  -7.206   9.842  -3.979
   62   HG21  VAL 819          HG21      VAL   9  -7.977  12.773  -3.697
   63   HG22  VAL 819          HG22      VAL   9  -7.006  13.136  -2.265
   64   HG23  VAL 819          HG23      VAL   9  -7.889  11.607  -2.358
   65    H    GLY 820           H        GLY  10  -4.984   8.658  -1.888
   66    HA2  GLY 820           HA2      GLY  10  -3.634   6.923  -2.812
   67    HA3  GLY 820           HA3      GLY  10  -2.551   8.122  -3.503
   68    H    PHE 821           H        PHE  11  -3.104   9.076  -0.264
   69    HA   PHE 821           HA       PHE  11  -1.013   7.240   0.834
   70    HB2  PHE 821           HB2      PHE  11  -0.953  10.218   1.271
   71    HB3  PHE 821           HB3      PHE  11   0.236   9.023   1.734
   72    HD1  PHE 821           HD1      PHE  11  -1.322  10.679  -1.237
   73    HD2  PHE 821           HD2      PHE  11   2.129   8.712   0.407
   74    HE1  PHE 821           HE1      PHE  11  -0.002  11.427  -3.177
   75    HE2  PHE 821           HE2      PHE  11   3.449   9.389  -1.611
   76    HZ   PHE 821           HZ       PHE  11   2.399  10.899  -3.302
   77    H    LYS 822           H        LYS  12  -2.465   6.155   2.065
   78    HA   LYS 822           HA       LYS  12  -4.155   7.530   4.107
   79    HB2  LYS 822           HB2      LYS  12  -5.361   5.888   3.233
   80    HB3  LYS 822           HB3      LYS  12  -4.046   4.885   2.808
   81    HG2  LYS 822           HG2      LYS  12  -4.761   5.153   5.772
   82    HG3  LYS 822           HG3      LYS  12  -5.847   4.337   4.708
   83    HD2  LYS 822           HD2      LYS  12  -4.020   2.810   3.927
   84    HD3  LYS 822           HD3      LYS  12  -2.890   3.679   4.971
   85    HE2  LYS 822           HE2      LYS  12  -3.481   1.608   6.000
   86    HE3  LYS 822           HE3      LYS  12  -4.081   2.961   6.965
   87    HZ1  LYS 822           HZ1      LYS  12  -5.745   1.146   6.719
   88    HZ2  LYS 822           HZ2      LYS  12  -5.770   1.334   5.100
   89    HZ3  LYS 822           HZ3      LYS  12  -6.327   2.528   6.087
   90    H    CYS 823           H        CYS  13  -3.748   7.462   6.271
   91    HA   CYS 823           HA       CYS  13  -1.026   7.475   7.128
   92    HB2  CYS 823           HB2      CYS  13  -2.786   8.945   7.980
   93    HB3  CYS 823           HB3      CYS  13  -3.661   7.535   8.559
   94    H    ASP 824           H        ASP  14  -0.021   6.276   8.650
   95    HA   ASP 824           HA       ASP  14  -0.756   3.382   8.926
   96    HB2  ASP 824           HB2      ASP  14   1.832   4.922   9.282
   97    HB3  ASP 824           HB3      ASP  14   1.628   3.268   9.829
   98    H    ASN 825           H        ASN  15  -0.258   6.290  10.864
   99    HA   ASN 825           HA       ASN  15  -0.120   4.936  13.428
  100    HB2  ASN 825           HB2      ASN  15   0.656   7.255  13.159
  101    HB3  ASN 825           HB3      ASN  15  -1.014   7.757  12.759
  102   HD21  ASN 825          HD21      ASN  15  -1.345   9.133  14.519
  103   HD22  ASN 825          HD22      ASN  15  -1.331   8.548  16.188
  104    H    CYS 826           H        CYS  16  -2.884   6.659  11.852
  105    HA   CYS 826           HA       CYS  16  -4.713   5.264  13.717
  106    HB2  CYS 826           HB2      CYS  16  -5.996   7.176  13.807
  107    HB3  CYS 826           HB3      CYS  16  -4.343   7.770  13.902
  108    H    GLY 827           H        GLY  17  -3.926   5.387  10.377
  109    HA2  GLY 827           HA2      GLY  17  -4.566   3.792   8.868
  110    HA3  GLY 827           HA3      GLY  17  -5.962   3.377   9.833
  111    H    ILE 828           H        ILE  18  -5.888   6.731   9.560
  112    HA   ILE 828           HA       ILE  18  -8.236   6.859   8.082
  113    HB   ILE 828           HB       ILE  18  -7.596   8.548   9.679
  114   HG12  ILE 828          HG12      ILE  18  -7.808   9.900   6.969
  115   HG13  ILE 828          HG13      ILE  18  -9.151   9.077   7.701
  116   HG21  ILE 828          HG21      ILE  18  -5.465   9.473   7.673
  117   HG22  ILE 828          HG22      ILE  18  -5.143   8.672   9.206
  118   HG23  ILE 828          HG23      ILE  18  -5.918  10.233   9.211
  119   HD11  ILE 828          HD11      ILE  18  -9.357  11.422   8.180
  120   HD12  ILE 828          HD12      ILE  18  -7.725  11.499   8.866
  121   HD13  ILE 828          HD13      ILE  18  -8.998  10.578   9.700
  122    H    GLU 829           H        GLU  19  -8.775   7.367   6.110
  123    HA   GLU 829           HA       GLU  19  -7.226   6.618   3.868
  124    HB2  GLU 829           HB2      GLU  19  -9.072   8.165   2.759
  125    HB3  GLU 829           HB3      GLU  19  -9.387   6.518   3.169
  126    HG2  GLU 829           HG2      GLU  19 -10.047   8.866   5.023
  127    HG3  GLU 829           HG3      GLU  19 -11.137   8.324   3.753
  128    HA   PRO 830           HA       PRO  20  -4.785   9.610   1.838
  129    HB2  PRO 830           HB2      PRO  20  -7.529  10.718   1.145
  130    HB3  PRO 830           HB3      PRO  20  -6.026  10.682   0.178
  131    HG2  PRO 830           HG2      PRO  20  -8.026   8.744   0.207
  132    HG3  PRO 830           HG3      PRO  20  -6.394   8.511  -0.484
  133    HD2  PRO 830           HD2      PRO  20  -7.334   7.127   1.724
  134    HD3  PRO 830           HD3      PRO  20  -5.617   7.395   1.340
  135    H    ILE 831           H        ILE  21  -3.729  10.561   3.434
  136    HA   ILE 831           HA       ILE  21  -4.636  12.062   5.534
  137    HB   ILE 831           HB       ILE  21  -1.990  12.137   4.051
  138   HG12  ILE 831          HG12      ILE  21  -2.566  10.892   6.773
  139   HG13  ILE 831          HG13      ILE  21  -2.945  10.011   5.313
  140   HG21  ILE 831          HG21      ILE  21  -2.685  13.467   6.706
  141   HG22  ILE 831          HG22      ILE  21  -2.038  14.247   5.251
  142   HG23  ILE 831          HG23      ILE  21  -1.027  13.155   6.183
  143   HD11  ILE 831          HD11      ILE  21  -0.724   9.420   6.139
  144   HD12  ILE 831          HD12      ILE  21  -0.182  11.090   5.923
  145   HD13  ILE 831          HD13      ILE  21  -0.673  10.127   4.511
  146    H    GLN 832           H        GLN  22  -5.094  14.055   6.099
  147    HA   GLN 832           HA       GLN  22  -5.274  16.097   3.933
  148    HB2  GLN 832           HB2      GLN  22  -7.056  15.732   6.357
  149    HB3  GLN 832           HB3      GLN  22  -7.215  16.979   5.121
  150    HG2  GLN 832           HG2      GLN  22  -7.467  13.985   4.590
  151    HG3  GLN 832           HG3      GLN  22  -8.804  15.075   4.849
  152   HE21  GLN 832          HE21      GLN  22  -7.413  13.480   2.397
  153   HE22  GLN 832          HE22      GLN  22  -7.800  14.635   1.115
  154    H    GLY 833           H        GLY  23  -4.527  18.056   4.225
  155    HA2  GLY 833           HA2      GLY  23  -4.187  20.029   5.611
  156    HA3  GLY 833           HA3      GLY  23  -3.529  19.029   6.863
  157    H    VAL 834           H        VAL  24  -1.729  17.571   6.071
  158    HA   VAL 834           HA       VAL  24   0.227  18.601   4.195
  159    HB   VAL 834           HB       VAL  24   0.426  19.928   6.281
  160   HG11  VAL 834          HG11      VAL  24   1.243  17.393   7.679
  161   HG12  VAL 834          HG12      VAL  24  -0.297  18.266   7.901
  162   HG13  VAL 834          HG13      VAL  24   1.231  19.044   8.343
  163   HG21  VAL 834          HG21      VAL  24   2.788  18.073   5.776
  164   HG22  VAL 834          HG22      VAL  24   2.862  19.591   6.692
  165   HG23  VAL 834          HG23      VAL  24   2.460  19.645   4.982
  166    H    ARG 835           H        ARG  25   1.418  16.761   3.433
  167    HA   ARG 835           HA       ARG  25   0.713  14.138   4.697
  168    HB2  ARG 835           HB2      ARG  25   0.612  13.895   2.410
  169    HB3  ARG 835           HB3      ARG  25   2.054  14.860   2.090
  170    HG2  ARG 835           HG2      ARG  25   3.459  13.058   3.043
  171    HG3  ARG 835           HG3      ARG  25   1.995  12.089   3.336
  172    HD2  ARG 835           HD2      ARG  25   1.593  12.011   0.891
  173    HD3  ARG 835           HD3      ARG  25   3.026  13.014   0.621
  174    HE   ARG 835           HE       ARG  25   3.163  10.364   2.060
  175   HH11  ARG 835          HH11      ARG  25   4.562  12.279  -0.565
  176   HH12  ARG 835          HH12      ARG  25   5.853  11.126  -0.739
  177   HH21  ARG 835          HH21      ARG  25   4.649   9.061   1.761
  178   HH22  ARG 835          HH22      ARG  25   6.002   9.375   0.691
  179    H    TRP 836           H        TRP  26   2.373  12.725   5.460
  180    HA   TRP 836           HA       TRP  26   4.940  14.082   6.142
  181    HB2  TRP 836           HB2      TRP  26   3.259  12.531   8.097
  182    HB3  TRP 836           HB3      TRP  26   4.960  12.751   8.264
  183    HD1  TRP 836           HD1      TRP  26   1.797  14.773   8.548
  184    HE1  TRP 836           HE1      TRP  26   2.372  17.003   9.771
  185    HE3  TRP 836           HE3      TRP  26   6.841  14.607   8.194
  186    HZ2  TRP 836           HZ2      TRP  26   4.734  18.234  10.851
  187    HZ3  TRP 836           HZ3      TRP  26   8.275  16.162   9.491
  188    HH2  TRP 836           HH2      TRP  26   7.234  17.945  10.871
  189    H    HIS 837           H        HIS  27   6.137  13.165   4.685
  190    HA   HIS 837           HA       HIS  27   6.025  10.253   3.992
  191    HB2  HIS 837           HB2      HIS  27   6.341  11.873   2.168
  192    HB3  HIS 837           HB3      HIS  27   7.622  12.672   3.029
  193    HD2  HIS 837           HD2      HIS  27  10.044  11.941   2.554
  194    HE1  HIS 837           HE1      HIS  27   9.302   8.252   0.544
  195    HE2  HIS 837           HE2      HIS  27  11.101   9.915   1.233
  196    H    CYS 838           H        CYS  28   7.208   8.803   5.253
  197    HA   CYS 838           HA       CYS  28   9.152   9.704   7.170
  198    HB2  CYS 838           HB2      CYS  28   7.685   7.716   7.250
  199    HB3  CYS 838           HB3      CYS  28   8.778   6.993   6.057
  200    H    GLN 839           H        GLN  29  11.253   9.997   7.056
  201    HA   GLN 839           HA       GLN  29  12.393  10.596   4.484
  202    HB2  GLN 839           HB2      GLN  29  13.749  10.437   7.197
  203    HB3  GLN 839           HB3      GLN  29  14.416  11.233   5.790
  204    HG2  GLN 839           HG2      GLN  29  11.736  12.161   6.884
  205    HG3  GLN 839           HG3      GLN  29  13.215  12.557   7.740
  206   HE21  GLN 839          HE21      GLN  29  12.159  14.725   7.257
  207   HE22  GLN 839          HE22      GLN  29  12.578  15.485   5.731
  208    H    ASP 840           H        ASP  30  12.810   7.915   6.809
  209    HA   ASP 840           HA       ASP  30  15.042   6.787   5.178
  210    HB2  ASP 840           HB2      ASP  30  15.223   7.322   7.681
  211    HB3  ASP 840           HB3      ASP  30  13.971   6.189   7.890
  212    H    CYS 841           H        CYS  31  11.670   6.013   6.112
  213    HA   CYS 841           HA       CYS  31  11.720   3.223   5.517
  214    HB2  CYS 841           HB2      CYS  31   9.526   5.301   5.395
  215    HB3  CYS 841           HB3      CYS  31   9.283   3.681   4.800
  216    HA   PRO 842           HA       PRO  32  12.437   3.430   1.122
  217    HB2  PRO 842           HB2      PRO  32  11.781   0.932   0.269
  218    HB3  PRO 842           HB3      PRO  32  13.164   1.233   1.369
  219    HG2  PRO 842           HG2      PRO  32  10.368   0.331   2.108
  220    HG3  PRO 842           HG3      PRO  32  11.931  -0.349   2.654
  221    HD2  PRO 842           HD2      PRO  32  10.472   1.511   4.101
  222    HD3  PRO 842           HD3      PRO  32  12.248   1.365   4.191
  223    HA   PRO 843           HA       PRO  33   8.600   4.707  -0.796
  224    HB2  PRO 843           HB2      PRO  33   9.759   3.461  -3.307
  225    HB3  PRO 843           HB3      PRO  33   8.939   5.040  -3.112
  226    HG2  PRO 843           HG2      PRO  33  11.628   4.958  -3.215
  227    HG3  PRO 843           HG3      PRO  33  10.842   5.953  -1.941
  228    HD2  PRO 843           HD2      PRO  33  12.010   3.165  -1.700
  229    HD3  PRO 843           HD3      PRO  33  12.203   4.581  -0.620
  230    H    GLU 844           H        GLU  34   9.673   1.397  -1.490
  231    HA   GLU 844           HA       GLU  34   7.268   0.222  -2.370
  232    HB2  GLU 844           HB2      GLU  34   9.494  -0.823  -2.434
  233    HB3  GLU 844           HB3      GLU  34   9.516  -0.949  -0.666
  234    HG2  GLU 844           HG2      GLU  34   7.719  -2.575  -0.693
  235    HG3  GLU 844           HG3      GLU  34   7.387  -2.259  -2.401
  236    H    MET 845           H        MET  35   8.269   1.016   0.906
  237    HA   MET 845           HA       MET  35   5.814  -0.174   2.124
  238    HB2  MET 845           HB2      MET  35   8.309   1.102   3.309
  239    HB3  MET 845           HB3      MET  35   6.952   0.547   4.273
  240    HG2  MET 845           HG2      MET  35   8.515  -1.258   2.401
  241    HG3  MET 845           HG3      MET  35   8.872  -1.044   4.107
  242    HE1  MET 845           HE1      MET  35   6.055  -1.076   5.660
  243    HE2  MET 845           HE2      MET  35   7.516  -1.987   6.103
  244    HE3  MET 845           HE3      MET  35   5.955  -2.817   5.962
  245    H    SER 846           H        SER  36   7.479   2.975   1.821
  246    HA   SER 846           HA       SER  36   6.882   5.119   2.331
  247    HB2  SER 846           HB2      SER  36   6.071   4.828   0.080
  248    HB3  SER 846           HB3      SER  36   4.508   4.242   0.678
  249    HG   SER 846           HG       SER  36   4.093   6.286   1.534
  250    H    LEU 847           H        LEU  37   6.702   4.761   4.675
  251    HA   LEU 847           HA       LEU  37   3.963   4.527   5.701
  252    HB2  LEU 847           HB2      LEU  37   6.648   4.589   7.087
  253    HB3  LEU 847           HB3      LEU  37   5.186   5.034   7.951
  254    HG   LEU 847           HG       LEU  37   4.278   2.763   6.745
  255   HD11  LEU 847          HD11      LEU  37   6.392   2.269   5.635
  256   HD12  LEU 847          HD12      LEU  37   5.844   0.984   6.738
  257   HD13  LEU 847          HD13      LEU  37   7.160   2.074   7.217
  258   HD21  LEU 847          HD21      LEU  37   5.793   2.337   9.233
  259   HD22  LEU 847          HD22      LEU  37   4.257   1.664   8.682
  260   HD23  LEU 847          HD23      LEU  37   4.316   3.344   9.210
  261    H    ASP 848           H        ASP  38   2.747   6.099   6.673
  262    HA   ASP 848           HA       ASP  38   3.574   8.865   6.086
  263    HB2  ASP 848           HB2      ASP  38   1.030   7.645   4.985
  264    HB3  ASP 848           HB3      ASP  38   1.504   9.332   4.913
  265    H    PHE 849           H        PHE  39   2.512  10.449   7.252
  266    HA   PHE 849           HA       PHE  39   0.402   9.551   9.160
  267    HB2  PHE 849           HB2      PHE  39   2.823  11.171  10.037
  268    HB3  PHE 849           HB3      PHE  39   1.537  10.503  11.018
  269    HD1  PHE 849           HD1      PHE  39   4.671   9.721   9.241
  270    HD2  PHE 849           HD2      PHE  39   1.292   8.069  11.299
  271    HE1  PHE 849           HE1      PHE  39   5.806   7.532   9.333
  272    HE2  PHE 849           HE2      PHE  39   2.466   5.880  11.503
  273    HZ   PHE 849           HZ       PHE  39   4.708   5.586  10.466
  274    H    CYS 850           H        CYS  40  -1.050  11.037   9.961
  275    HA   CYS 850           HA       CYS  40  -1.569  13.421   8.556
  276    HB2  CYS 850           HB2      CYS  40  -2.434  12.559  11.346
  277    HB3  CYS 850           HB3      CYS  40  -3.279  13.721  10.325
  278    H    ASP 851           H        ASP  41  -1.958  15.555   9.713
  279    HA   ASP 851           HA       ASP  41   0.409  16.836  10.507
  280    HB2  ASP 851           HB2      ASP  41  -0.926  18.727  10.884
  281    HB3  ASP 851           HB3      ASP  41  -1.679  17.876   9.554
  282    H    SER 852           H        SER  42  -1.996  15.219  12.517
  283    HA   SER 852           HA       SER  42  -0.679  15.962  15.028
  284    HB2  SER 852           HB2      SER  42  -3.131  15.845  14.901
  285    HB3  SER 852           HB3      SER  42  -3.027  14.125  14.471
  286    HG   SER 852           HG       SER  42  -3.397  14.470  16.738
  287    H    CYS 853           H        CYS  43  -1.045  13.050  12.954
  288    HA   CYS 853           HA       CYS  43  -0.015  11.213  14.881
  289    HB2  CYS 853           HB2      CYS  43  -0.457  11.079  11.901
  290    HB3  CYS 853           HB3      CYS  43  -0.061   9.713  12.912
  291    H    SER 854           H        SER  44   1.487  13.292  12.525
  292    HA   SER 854           HA       SER  44   4.010  11.995  12.147
  293    HB2  SER 854           HB2      SER  44   4.724  14.169  11.435
  294    HB3  SER 854           HB3      SER  44   3.057  13.947  10.919
  295    HG   SER 854           HG       SER  44   3.479  16.023  11.946
  296    H    ASP 855           H        ASP  45   2.629  13.563  14.945
  297    HA   ASP 855           HA       ASP  45   5.177  13.865  16.344
  298    HB2  ASP 855           HB2      ASP  45   3.183  15.438  16.613
  299    HB3  ASP 855           HB3      ASP  45   2.372  14.126  17.470
  300    H    CYS 856           H        CYS  46   3.185  11.261  15.604
  301    HA   CYS 856           HA       CYS  46   3.382   9.814  18.113
  302    HB2  CYS 856           HB2      CYS  46   1.465   9.543  16.421
  303    HB3  CYS 856           HB3      CYS  46   2.626   8.680  15.398
  304    HG   CYS 856           HG       CYS  46   1.094   6.948  16.722
  305    H    LEU 857           H        LEU  47   4.766   8.203  18.521
  306    HA   LEU 857           HA       LEU  47   7.166   7.878  16.768
  307    HB2  LEU 857           HB2      LEU  47   7.421   8.649  19.131
  308    HB3  LEU 857           HB3      LEU  47   6.840   7.070  19.663
  309    HG   LEU 857           HG       LEU  47   8.867   6.530  17.723
  310   HD11  LEU 857          HD11      LEU  47   9.621   8.867  18.009
  311   HD12  LEU 857          HD12      LEU  47  10.814   7.726  18.618
  312   HD13  LEU 857          HD13      LEU  47   9.780   8.598  19.763
  313   HD21  LEU 857          HD21      LEU  47  10.069   5.593  19.682
  314   HD22  LEU 857          HD22      LEU  47   8.364   5.116  19.613
  315   HD23  LEU 857          HD23      LEU  47   8.899   6.372  20.761
  316    H    HIS 858           H        HIS  48   5.396   6.756  15.448
  317    HA   HIS 858           HA       HIS  48   4.701   4.035  16.334
  318    HB2  HIS 858           HB2      HIS  48   3.012   5.434  15.156
  319    HB3  HIS 858           HB3      HIS  48   4.077   5.558  13.754
  320    HD2  HIS 858           HD2      HIS  48   3.707   3.769  11.898
  321    HE1  HIS 858           HE1      HIS  48   1.604   0.816  14.145
  322    HE2  HIS 858           HE2      HIS  48   2.436   1.459  11.830
  323    H    GLU 859           H        GLU  49   5.322   2.108  15.193
  324    HA   GLU 859           HA       GLU  49   7.589   2.305  13.352
  325    HB2  GLU 859           HB2      GLU  49   7.768   0.605  15.896
  326    HB3  GLU 859           HB3      GLU  49   9.035   0.914  14.763
  327    HG2  GLU 859           HG2      GLU  49   9.093   3.308  15.491
  328    HG3  GLU 859           HG3      GLU  49   7.801   2.938  16.634
  329    H    THR 860           H        THR  50   8.130   0.375  12.227
  330    HA   THR 860           HA       THR  50   6.287  -1.958  12.650
  331    HB   THR 860           HB       THR  50   5.929  -2.292  10.360
  332    HG1  THR 860           HG1      THR  50   6.872  -0.967   8.779
  333   HG21  THR 860          HG21      THR  50   4.740  -0.324   9.607
  334   HG22  THR 860          HG22      THR  50   5.564   0.708  10.808
  335   HG23  THR 860          HG23      THR  50   4.460  -0.551  11.348
  336    H    ASP 861           H        ASP  51   7.579  -3.388  10.460
  337    HA   ASP 861           HA       ASP  51   9.909  -4.453  11.838
  338    HB2  ASP 861           HB2      ASP  51   8.634  -5.118   9.219
  339    HB3  ASP 861           HB3      ASP  51   9.974  -6.005   9.918
  340    H    ILE 862           H        ILE  52   9.224  -2.214   9.291
  341    HA   ILE 862           HA       ILE  52  12.086  -1.887   8.655
  342    HB   ILE 862           HB       ILE  52   9.575  -0.892   7.256
  343   HG12  ILE 862          HG12      ILE  52  10.257  -3.244   6.745
  344   HG13  ILE 862          HG13      ILE  52  10.187  -2.172   5.377
  345   HG21  ILE 862          HG21      ILE  52  11.279   0.055   5.614
  346   HG22  ILE 862          HG22      ILE  52  12.471  -0.097   6.938
  347   HG23  ILE 862          HG23      ILE  52  11.051   0.944   7.135
  348   HD11  ILE 862          HD11      ILE  52  12.757  -2.992   6.776
  349   HD12  ILE 862          HD12      ILE  52  12.621  -1.981   5.311
  350   HD13  ILE 862          HD13      ILE  52  12.122  -3.677   5.264
  351    H    HIS 863           H        HIS  53   9.119  -0.131   9.587
  352    HA   HIS 863           HA       HIS  53  10.450   2.435   9.731
  353    HB2  HIS 863           HB2      HIS  53   8.162   2.449   9.162
  354    HB3  HIS 863           HB3      HIS  53   7.701   1.333  10.356
  355    HD1  HIS 863           HD1      HIS  53   9.363   3.881  12.569
  356    HD2  HIS 863           HD2      HIS  53   6.308   4.220  11.315
  357    HE1  HIS 863           HE1      HIS  53   9.237   6.167  11.611
  358    H    LYS 864           H        LYS  54  11.531   3.282  11.484
  359    HA   LYS 864           HA       LYS  54  10.738   2.253  14.174
  360    HB2  LYS 864           HB2      LYS  54  13.565   2.487  13.092
  361    HB3  LYS 864           HB3      LYS  54  13.084   2.119  14.735
  362    HG2  LYS 864           HG2      LYS  54  12.482   0.359  12.266
  363    HG3  LYS 864           HG3      LYS  54  13.836   0.143  13.331
  364    HD2  LYS 864           HD2      LYS  54  12.268  -0.323  15.246
  365    HD3  LYS 864           HD3      LYS  54  10.944  -0.214  14.146
  366    HE2  LYS 864           HE2      LYS  54  11.294  -2.467  14.098
  367    HE3  LYS 864           HE3      LYS  54  12.157  -1.948  12.664
  368    HZ1  LYS 864           HZ1      LYS  54  13.495  -3.500  13.991
  369    HZ2  LYS 864           HZ2      LYS  54  13.421  -2.542  15.306
  370    HZ3  LYS 864           HZ3      LYS  54  14.249  -2.054  13.978
  371    H    GLU 865           H        GLU  55  11.632   3.417  15.993
  372    HA   GLU 865           HA       GLU  55  11.383   6.248  15.954
  373    HB2  GLU 865           HB2      GLU  55  12.108   6.070  18.244
  374    HB3  GLU 865           HB3      GLU  55  11.079   4.694  17.850
  375    HG2  GLU 865           HG2      GLU  55  13.180   3.310  17.548
  376    HG3  GLU 865           HG3      GLU  55  14.129   4.706  18.061
  377    H    ASP 866           H        ASP  56  13.932   4.427  14.729
  378    HA   ASP 866           HA       ASP  56  16.242   6.013  15.391
  379    HB2  ASP 866           HB2      ASP  56  15.670   3.933  13.319
  380    HB3  ASP 866           HB3      ASP  56  17.240   4.679  13.524
  381    H    HIS 867           H        HIS  57  13.579   6.307  13.062
  382    HA   HIS 867           HA       HIS  57  15.051   8.371  11.594
  383    HB2  HIS 867           HB2      HIS  57  13.597   7.590   9.724
  384    HB3  HIS 867           HB3      HIS  57  14.954   6.576  10.160
  385    HD1  HIS 867           HD1      HIS  57  14.122   4.459   9.103
  386    HD2  HIS 867           HD2      HIS  57  11.301   6.560  11.330
  387    HE1  HIS 867           HE1      HIS  57  11.866   4.131   7.975
  388    H    GLN 868           H        GLN  58  13.244   9.439  10.225
  389    HA   GLN 868           HA       GLN  58  11.146  10.556  11.881
  390    HB2  GLN 868           HB2      GLN  58  12.030  12.839  11.955
  391    HB3  GLN 868           HB3      GLN  58  13.034  11.717  12.839
  392    HG2  GLN 868           HG2      GLN  58  13.655  12.703  10.018
  393    HG3  GLN 868           HG3      GLN  58  14.267  13.453  11.482
  394   HE21  GLN 868          HE21      GLN  58  15.330  11.461   9.083
  395   HE22  GLN 868          HE22      GLN  58  16.403  10.450  10.035
  396    H    LEU 869           H        LEU  59  10.170  12.559  10.736
  397    HA   LEU 869           HA       LEU  59   9.483  11.606   8.006
  398    HB2  LEU 869           HB2      LEU  59   7.851  13.381   9.829
  399    HB3  LEU 869           HB3      LEU  59   7.324  12.462   8.418
  400    HG   LEU 869           HG       LEU  59   6.330  11.463  10.195
  401   HD11  LEU 869          HD11      LEU  59   7.213   9.207  10.349
  402   HD12  LEU 869          HD12      LEU  59   8.778   9.736   9.720
  403   HD13  LEU 869          HD13      LEU  59   7.309   9.838   8.695
  404   HD21  LEU 869          HD21      LEU  59   7.184  10.786  12.272
  405   HD22  LEU 869          HD22      LEU  59   7.689  12.461  12.035
  406   HD23  LEU 869          HD23      LEU  59   8.855  11.128  11.826
  407    H    GLU 870           H        GLU  60   8.665  13.071   6.445
  408    HA   GLU 870           HA       GLU  60   9.865  15.802   6.356
  409    HB2  GLU 870           HB2      GLU  60  10.653  14.090   4.626
  410    HB3  GLU 870           HB3      GLU  60   9.010  13.920   4.142
  411    HG2  GLU 870           HG2      GLU  60   9.847  15.263   2.542
  412    HG3  GLU 870           HG3      GLU  60   9.015  16.422   3.565
  413    HA   PRO 871           HA       PRO  61   5.412  16.838   6.172
  414    HB2  PRO 871           HB2      PRO  61   5.556  19.543   6.435
  415    HB3  PRO 871           HB3      PRO  61   5.830  18.439   7.808
  416    HG2  PRO 871           HG2      PRO  61   7.895  19.842   6.105
  417    HG3  PRO 871           HG3      PRO  61   7.874  19.623   7.880
  418    HD2  PRO 871           HD2      PRO  61   9.296  18.026   6.093
  419    HD3  PRO 871           HD3      PRO  61   8.761  17.476   7.700
  420    H    ILE 872           H        ILE  62   4.100  17.330   4.403
  421    HA   ILE 872           HA       ILE  62   5.372  18.662   2.048
  422    HB   ILE 872           HB       ILE  62   3.313  16.529   1.788
  423   HG12  ILE 872          HG12      ILE  62   5.190  15.410   2.997
  424   HG13  ILE 872          HG13      ILE  62   4.878  14.749   1.418
  425   HG21  ILE 872          HG21      ILE  62   4.162  16.398  -0.515
  426   HG22  ILE 872          HG22      ILE  62   5.426  17.592  -0.131
  427   HG23  ILE 872          HG23      ILE  62   3.735  18.066  -0.102
  428   HD11  ILE 872          HD11      ILE  62   7.299  15.038   1.972
  429   HD12  ILE 872          HD12      ILE  62   7.049  16.798   1.925
  430   HD13  ILE 872          HD13      ILE  62   6.797  15.830   0.462
  431    H    TYR 873           H        TYR  63   4.449  20.463   1.702
  432    HA   TYR 873           HA       TYR  63   1.865  21.123   2.892
  433    HB2  TYR 873           HB2      TYR  63   4.106  22.863   1.820
  434    HB3  TYR 873           HB3      TYR  63   2.641  23.456   2.571
  435    HD1  TYR 873           HD1      TYR  63   6.018  22.467   3.211
  436    HD2  TYR 873           HD2      TYR  63   2.080  22.546   4.969
  437    HE1  TYR 873           HE1      TYR  63   7.025  22.332   5.475
  438    HE2  TYR 873           HE2      TYR  63   3.078  22.388   7.231
  439    HH   TYR 873           HH       TYR  63   6.628  22.414   7.763
  440    H    ARG 874           H        ARG  64   2.328  19.690   0.276
  441    HA   ARG 874           HA       ARG  64   0.312  21.021  -1.366
  442    HB2  ARG 874           HB2      ARG  64   1.823  21.182  -3.339
  443    HB3  ARG 874           HB3      ARG  64   2.262  22.272  -2.020
  444    HG2  ARG 874           HG2      ARG  64   4.050  20.681  -1.305
  445    HG3  ARG 874           HG3      ARG  64   3.642  19.619  -2.654
  446    HD2  ARG 874           HD2      ARG  64   4.418  22.525  -2.909
  447    HD3  ARG 874           HD3      ARG  64   5.586  21.180  -2.985
  448    HE   ARG 874           HE       ARG  64   3.629  20.591  -4.895
  449   HH11  ARG 874          HH11      ARG  64   5.996  23.142  -4.493
  450   HH12  ARG 874          HH12      ARG  64   6.105  23.435  -6.207
  451   HH21  ARG 874          HH21      ARG  64   3.811  21.024  -7.065
  452   HH22  ARG 874          HH22      ARG  64   4.903  22.259  -7.617
  453    H1   ALA   1           H1       ALA  65   1.477   4.743   5.165
  454    H2   ALA   1           H2       ALA  65   0.259   5.492   4.359
  455    H3   ALA   1           H3       ALA  65   1.820   5.695   3.863
  456    HA   ALA   1           HA       ALA  65   2.033   3.453   3.246
  457    HB1  ALA   1           HB1      ALA  65   0.537   2.440   4.885
  458    HB2  ALA   1           HB2      ALA  65   0.086   1.952   3.249
  459    HB3  ALA   1           HB3      ALA  65  -0.874   3.188   4.097
  460    H    ARG   2           H        ARG  66   2.274   3.686   1.166
  461    HA   ARG   2           HA       ARG  66   0.712   5.328  -0.541
  462    HB2  ARG   2           HB2      ARG  66   1.980   4.507  -2.332
  463    HB3  ARG   2           HB3      ARG  66   3.061   4.580  -0.967
  464    HG2  ARG   2           HG2      ARG  66   1.857   2.119  -2.293
  465    HG3  ARG   2           HG3      ARG  66   3.542   2.593  -2.238
  466    HD2  ARG   2           HD2      ARG  66   3.696   2.078   0.125
  467    HD3  ARG   2           HD3      ARG  66   1.977   1.706   0.245
  468    HE   ARG   2           HE       ARG  66   4.086  -0.002  -0.766
  469   HH11  ARG   2          HH11      ARG  66   0.589   0.506  -0.972
  470   HH12  ARG   2          HH12      ARG  66   0.311  -1.167  -1.385
  471   HH21  ARG   2          HH21      ARG  66   3.638  -2.062  -1.317
  472   HH22  ARG   2          HH22      ARG  66   1.997  -2.586  -1.579
  473    H    THR   3           H        THR  67  -1.205   5.142  -1.305
  474    HA   THR   3           HA       THR  67  -2.299   2.522  -2.251
  475    HB   THR   3           HB       THR  67  -4.559   3.387  -1.762
  476    HG1  THR   3           HG1      THR  67  -4.797   5.260  -0.583
  477   HG21  THR   3          HG21      THR  67  -3.372   2.010  -0.032
  478   HG22  THR   3          HG22      THR  67  -4.558   3.140   0.649
  479   HG23  THR   3          HG23      THR  67  -2.824   3.516   0.743
  480   HH31  ALY   4           H26      ALY  68   0.238   9.735 -11.112
  481   HH32  ALY   4           H27      ALY  68   0.459   8.074 -10.512
  482   HH33  ALY   4           H28      ALY  68   1.850   8.979 -11.148
  483    HZ   ALY   4           HZ1      ALY  68  -0.769   9.483  -8.792
  484    HE3  ALY   4           HE3      ALY  68   0.974  10.940  -6.911
  485    HE2  ALY   4           HE2      ALY  68  -0.770  10.722  -6.799
  486    HD3  ALY   4           HD3      ALY  68   1.341   8.589  -6.240
  487    HD2  ALY   4           HD2      ALY  68   0.401   9.479  -5.031
  488    HG3  ALY   4           HG3      ALY  68  -1.695   8.486  -5.970
  489    HG2  ALY   4           HG2      ALY  68  -0.709   7.547  -7.111
  490    HB3  ALY   4           HB3      ALY  68   0.452   6.465  -5.181
  491    HB2  ALY   4           HB2      ALY  68  -0.559   7.385  -4.065
  492    HA   ALY   4           HA       ALY  68  -2.587   6.287  -5.294
  493    H    ALY   4           H        ALY  68  -0.880   5.249  -3.256
  494    H    GLN   5           H        GLN  69  -2.610   5.976  -7.525
  495    HA   GLN   5           HA       GLN  69  -0.726   4.149  -8.828
  496    HB2  GLN   5           HB2      GLN  69  -2.411   2.717  -9.822
  497    HB3  GLN   5           HB3      GLN  69  -2.470   2.604  -8.060
  498    HG2  GLN   5           HG2      GLN  69  -4.451   4.129  -8.050
  499    HG3  GLN   5           HG3      GLN  69  -4.395   4.206  -9.814
  500   HE21  GLN   5          HE21      GLN  69  -6.773   3.435  -9.001
  501   HE22  GLN   5          HE22      GLN  69  -6.971   1.690  -9.091
  502    H    THR   6           H        THR  70  -0.809   4.247 -11.167
  503    HA   THR   6           HA       THR  70  -1.482   6.897 -12.209
  504    HB   THR   6           HB       THR  70   0.564   5.618 -12.869
  505    HG1  THR   6           HG1      THR  70   0.027   7.260 -14.187
  506   HG21  THR   6          HG21      THR  70  -0.473   3.359 -13.208
  507   HG22  THR   6          HG22      THR  70   0.444   3.933 -14.612
  508   HG23  THR   6          HG23      THR  70  -1.329   3.996 -14.630
  509    H    ALA   7           H        ALA  71  -2.771   7.201 -14.205
  510    HA   ALA   7           HA       ALA  71  -5.442   6.136 -13.897
  511    HB1  ALA   7           HB1      ALA  71  -4.998   8.456 -14.599
  512    HB2  ALA   7           HB2      ALA  71  -5.942   7.593 -15.827
  513    HB3  ALA   7           HB3      ALA  71  -4.207   7.869 -16.081
  514    H    ARG   8           H        ARG  72  -6.683   4.987 -15.437
  515    HA   ARG   8           HA       ARG  72  -5.402   2.719 -16.704
  516    HB2  ARG   8           HB2      ARG  72  -7.626   2.650 -15.607
  517    HB3  ARG   8           HB3      ARG  72  -8.281   3.698 -16.879
  518    HG2  ARG   8           HG2      ARG  72  -7.765   1.959 -18.577
  519    HG3  ARG   8           HG3      ARG  72  -7.050   0.932 -17.316
  520    HD2  ARG   8           HD2      ARG  72  -9.239   0.841 -16.162
  521    HD3  ARG   8           HD3      ARG  72  -9.947   1.866 -17.432
  522    HE   ARG   8           HE       ARG  72  -8.736  -0.403 -18.659
  523   HH11  ARG   8          HH11      ARG  72  -9.928  -2.106 -19.425
  524   HH12  ARG   8          HH12      ARG  72 -11.534  -2.392 -18.823
  525   HH21  ARG   8          HH21      ARG  72 -11.537   0.274 -16.662
  526   HH22  ARG   8          HH22      ARG  72 -12.430  -1.076 -17.301