*HEADER                                            14-MAR-06   2GCF              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF THE                    
*TITLE    2 COPPPER(I) ATPASE PACS IN ITS APO FORM                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CATION-TRANSPORTING ATPASE PACS;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN, RESIDUES 1-95;                          
*COMPND   5 EC: 3.6.3.-;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.;                              
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: PCC 6803;                                                    
*SOURCE   5 GENE: PACS;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET29A                                    
*KEYWDS    FERREDOXIN-LIKE FOLD; BETA-ALPHA-BETA-BETA-ALPHA-BETA,                
*KEYWDS   2 STRUCTURAL GENOMICS, STRUCTURAL PROTEOMICS IN EUROPE, SPINE          
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    L.BANCI, I.BERTINI, S.CIOFI-BAFFONI, N.G.KANDIAS,                     
*AUTHOR   2 G.A.SPYROULIAS, N.J.ROBINSON, STRUCTURAL PROTEOMICS IN               
*AUTHOR   3 EUROPE (SPINE)                                                       
*REVDAT   1   30-MAY-06 2GCF    0                                                


#
#   3 GLN  HN      3 GLN  QG      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,

      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2=  38,  39,
 &end
#
#   3 GLN  HA      4 THR  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  48, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   3 GLN  QB     47 TYR  QD      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.34, r4=11.84,
 igr1=  35,  36,
 igr2= 687, 696,
 &end
#
#   3 GLN  QB     47 TYR  QE      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.34, r4=11.84,
 igr1=  35,  36,
 igr2= 689, 694,
 &end
#
#   3 GLN  HG2     4 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  48, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   3 GLN  HG2    47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#   3 GLN  HG3     4 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  48, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   3 GLN  HG3    47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#   3 GLN  QG     47 TYR  QE      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1=  38,  39,
 igr2= 689, 694,
 &end
#
#   3 GLN  QG     56 LEU  QQD     9.45                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 823, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11,
 igr1=  38,  39,
 &end
#
#   4 THR  HN      4 THR  HB      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  52, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   4 THR  HN      4 THR  QG2     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=  54,  55,  56,
 &end
#
#   4 THR  HN      5 ILE  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  68,  69,  70,
 &end
#
#   4 THR  HN      5 ILE  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  75,  76,  77,
 &end
#
#   4 THR  HN     46 SER  QB      6.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 672, 673,
 &end
#
#   4 THR  HA     45 VAL  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 652, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#   4 THR  HA     45 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   4 THR  HA     46 SER  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 668, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   4 THR  HA     46 SER  HA      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 670, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   4 THR  HA     46 SER  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 672, 673,
 &end
#
#   4 THR  HA     47 TYR  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 679, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   4 THR  HA     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#   4 THR  HA     47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#   4 THR  HB      5 ILE  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  62, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   4 THR  HB      5 ILE  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  75,  76,  77,
 &end
#
#   4 THR  HB     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   4 THR  HB     45 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 658, 659, 660,
 &end
#
#   4 THR  HB     45 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 662, 663, 664,
 &end
#
#   4 THR  HB     46 SER  HA      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 670, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#   4 THR  HB     46 SER  HB2     2.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 672, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   4 THR  HB     46 SER  HB3     2.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 673, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   4 THR  HB     46 SER  QB      2.34                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13,
 igr2= 672, 673,
 &end
#
#   4 THR  HB     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#   4 THR  HB     47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#   4 THR  QG2     5 ILE  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  54,  55,  56,
 &end
#
#   4 THR  QG2    45 VAL  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  54,  55,  56,
 &end
#
#   4 THR  QG2    46 SER  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  54,  55,  56,
 &end
#
#   4 THR  QG2    46 SER  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 670, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  54,  55,  56,
 &end
#
#   4 THR  QG2    46 SER  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  54,  55,  56,
 &end
#
#   4 THR  QG2    46 SER  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  54,  55,  56,
 &end
#
#   4 THR  QG2    47 TYR  QD      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1=  54,  55,  56,
 igr2= 687, 696,
 &end
#
#   4 THR  QG2    47 TYR  QE      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1=  54,  55,  56,
 igr2= 689, 694,
 &end
#
#   5 ILE  HN      5 ILE  HG12    4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  72, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   5 ILE  HN      5 ILE  HG13    4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  73, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   5 ILE  HN      5 ILE  QG1     4.62                
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=  72,  73,
 &end
#
#   5 ILE  HN      5 ILE  QD1     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=  75,  76,  77,
 &end
#
#   5 ILE  HN      6 ASN  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  81, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   5 ILE  HN      7 LEU  QQD     8.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 101, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   5 ILE  HN     45 VAL  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 652, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   5 ILE  HN     45 VAL  HB      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 656, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   5 ILE  HN     45 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   5 ILE  HN     46 SER  HA      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 670, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   5 ILE  HN     46 SER  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 672, 673,
 &end
#
#   5 ILE  HA      5 ILE  QD1     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=  75,  76,  77,
 &end
#
#   5 ILE  HA      7 LEU  QQD     8.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 101, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   5 ILE  HA     47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#   5 ILE  HB      6 ASN  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  81, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   5 ILE  HB     45 VAL  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  66, 652, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   5 ILE  HB     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#   5 ILE  HB     47 TYR  QE      7.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
 igr2= 689, 694,
 &end
#
#   5 ILE  QG2     6 ASN  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  68,  69,  70,
 &end
#
#   5 ILE  QG2    69 VAL  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  68,  69,  70,
 &end
#
#   5 ILE  HG12    6 ASN  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  81, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   5 ILE  HG12   47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#   5 ILE  HG13    6 ASN  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  81, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   5 ILE  HG13   47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#   5 ILE  QG1     6 ASN  QD2     7.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1=  72,  73,
 igr2=  90,  91,
 &end
#
#   5 ILE  QG1     7 LEU  QQD     9.45                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 101, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11,
 igr1=  72,  73,
 &end
#
#   5 ILE  QG1    47 TYR  QD      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1=  72,  73,
 igr2= 687, 696,
 &end
#
#   5 ILE  QD1     6 ASN  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1=  75,  76,  77,
 &end
#
#   5 ILE  QD1     6 ASN  HD21    7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  75,  76,  77,
 &end
#
#   5 ILE  QD1     6 ASN  HD22    7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  75,  76,  77,
 &end
#
#   5 ILE  QD1     7 LEU  QQD     9.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 101, r1= 1.30, r2= 1.80, r3=11.49, r4=11.99,
 igr1=  75,  76,  77,
 &end
#
#   5 ILE  QD1    45 VAL  HB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  75,  76,  77,
 &end
#
#   5 ILE  QD1    45 VAL  QQG     8.96                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
 igr1=  75,  76,  77,
 &end
#
#   5 ILE  QD1    47 TYR  QD      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1=  75,  76,  77,
 igr2= 687, 696,
 &end
#
#   5 ILE  QD1    47 TYR  QE      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1=  75,  76,  77,
 igr2= 689, 694,
 &end
#
#   6 ASN  HN      7 LEU  QB      5.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2=  99, 100,
 &end
#
#   6 ASN  HN      7 LEU  QQD     8.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 101, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   6 ASN  HA      6 ASN  HD21    5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  90, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   6 ASN  HA      6 ASN  HD22    5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  91, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   6 ASN  HA      6 ASN  QD2     4.98                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2=  90,  91,
 &end
#
#   6 ASN  HA      7 LEU  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  95, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   6 ASN  HA      7 LEU  HA      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  97, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   6 ASN  HA      7 LEU  QB      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2=  99, 100,
 &end
#
#   6 ASN  HA      7 LEU  QQD     8.57                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 101, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   6 ASN  HA     42 GLN  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 613, 614,
 &end
#
#   6 ASN  HA     43 ALA  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 626, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   6 ASN  HA     44 VAL  HA      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 638, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   6 ASN  HA     44 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   6 ASN  HA     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   6 ASN  HA     45 VAL  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 652, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   6 ASN  HA     45 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   6 ASN  HB2     7 LEU  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  95, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   6 ASN  HB2    44 VAL  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 638, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#   6 ASN  HB2    44 VAL  HB      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 640, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   6 ASN  HB2    44 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 642, 643, 644,
 &end
#
#   6 ASN  HB2    44 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 646, 647, 648,
 &end
#
#   6 ASN  HB3     7 LEU  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  95, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   6 ASN  HB3    44 VAL  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 638, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#   6 ASN  HB3    44 VAL  HB      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 640, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   6 ASN  HB3    44 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 642, 643, 644,
 &end
#
#   6 ASN  HB3    44 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 646, 647, 648,
 &end
#
#   6 ASN  QB      7 LEU  HN      4.32                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=  85,  86,
 &end
#
#   6 ASN  QB     44 VAL  HA      5.24                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  85,  86,
 &end
#
#   6 ASN  QB     44 VAL  HB      4.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  85,  86,
 &end
#
#   6 ASN  HD21    7 LEU  HB2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  99, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#   6 ASN  HD21    7 LEU  HB3     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 100, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#   6 ASN  HD21   44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#   6 ASN  HD21   44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#   6 ASN  HD22    7 LEU  HB2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  99, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#   6 ASN  HD22    7 LEU  HB3     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 100, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#   6 ASN  HD22   44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#   6 ASN  HD22   44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#   6 ASN  QD2     7 LEU  QB      6.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09,
 igr1=  90,  91,
 igr2=  99, 100,
 &end
#
#   6 ASN  QD2     7 LEU  QQD     9.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 101, r1= 1.30, r2= 1.80, r3=10.26, r4=10.76,
 igr1=  90,  91,
 &end
#
#   6 ASN  QD2    44 VAL  HB      6.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
 igr1=  90,  91,
 &end
#
#   6 ASN  QD2    44 VAL  QQG     7.94                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1=  90,  91,
 &end
#
#   7 LEU  HN      7 LEU  HB2     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  99, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   7 LEU  HN      7 LEU  HB3     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   7 LEU  HN      7 LEU  QB      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=  99, 100,
 &end
#
#   7 LEU  HN      7 LEU  HG      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 102, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   7 LEU  HN      7 LEU  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 104, 105, 106,
 &end
#
#   7 LEU  HN      7 LEU  QD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 108, 109, 110,
 &end
#
#   7 LEU  HN      7 LEU  QQD     4.96                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 101, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   7 LEU  HN      8 GLN  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 114, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   7 LEU  HN      8 GLN  HA      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 116, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   7 LEU  HN     42 GLN  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HN     43 ALA  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 626, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   7 LEU  HN     43 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 630, 631, 632,
 &end
#
#   7 LEU  HN     44 VAL  HA      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 638, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#   7 LEU  HN     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   7 LEU  HA      7 LEU  HG      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 102, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   7 LEU  HA      7 LEU  QD1     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 104, 105, 106,
 &end
#
#   7 LEU  HA      7 LEU  QD2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 108, 109, 110,
 &end
#
#   7 LEU  HA      8 GLN  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 114, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   7 LEU  HA      8 GLN  QB      6.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 118, 119,
 &end
#
#   7 LEU  HA     42 GLN  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 613, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HA     42 GLN  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HA     43 ALA  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 626, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   7 LEU  HA     69 VAL  HA      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  97,1019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   7 LEU  HA     70 LEU  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  97,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   7 LEU  HB2     8 GLN  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 114, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   7 LEU  HB2    43 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HB3     8 GLN  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 114, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   7 LEU  HB3    43 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  QB      8 GLN  HN      4.21                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=  99, 100,
 &end
#
#   7 LEU  QB      8 GLN  QE2     7.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1=  99, 100,
 igr2= 126, 127,
 &end
#
#   7 LEU  QB     68 ARG  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=  99, 100,
 &end
#
#   7 LEU  QB     70 LEU  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=  99, 100,
 &end
#
#   7 LEU  HG      8 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HG      8 GLN  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HG      9 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HG      9 LEU  HA      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   7 LEU  HG     42 GLN  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 613, 614,
 &end
#
#   7 LEU  HG     43 ALA  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 626, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   7 LEU  HG     43 ALA  QB      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr2= 630, 631, 632,
 &end
#
#   7 LEU  HG     60 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#   7 LEU  HG     67 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HG     68 ARG  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   7 LEU  HG     69 VAL  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 102,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  HG     70 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 102,1033, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 LEU  QD1     8 GLN  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 104, 105, 106,
 &end
#
#   7 LEU  QD1    56 LEU  QD1    11.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.07, r4=16.57,
 igr1= 104, 105, 106,
 igr2= 826, 827, 828,
 &end
#
#   7 LEU  QD1    56 LEU  QD2    11.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.07, r4=16.57,
 igr1= 104, 105, 106,
 igr2= 830, 831, 832,
 &end
#
#   7 LEU  QD1    68 ARG  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 104, 105, 106,
 &end
#
#   7 LEU  QD2     8 GLN  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 108, 109, 110,
 &end
#
#   7 LEU  QD2    56 LEU  QD1    11.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.07, r4=16.57,
 igr1= 108, 109, 110,
 igr2= 826, 827, 828,
 &end
#
#   7 LEU  QD2    56 LEU  QD2    11.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.07, r4=16.57,
 igr1= 108, 109, 110,
 igr2= 830, 831, 832,
 &end
#
#   7 LEU  QD2    68 ARG  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 108, 109, 110,
 &end
#
#   7 LEU  QQD     8 GLN  QE2     9.44                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr2= 126, 127,
 &end
#
#   7 LEU  QQD    43 ALA  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 626, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   7 LEU  QQD    43 ALA  QB      9.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3=11.37, r4=11.87,
 igr2= 630, 631, 632,
 &end
#
#   7 LEU  QQD    56 LEU  QB      9.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3=10.74, r4=11.24,
 igr2= 821, 822,
 &end
#
#   7 LEU  QQD    56 LEU  QQD     9.44                
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 823, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,  &end
#
#   7 LEU  QQD    67 ALA  HA      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 985, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   7 LEU  QQD    67 ALA  QB      9.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3=11.49, r4=11.99,
 igr2= 987, 988, 989,
 &end
#
#   7 LEU  QQD    69 VAL  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,1017, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   7 LEU  QQD    69 VAL  HA      7.87                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,1019, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,  &end
#
#   7 LEU  QQD    70 LEU  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 101,1033, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   8 GLN  HN      8 GLN  HG2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 121, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   8 GLN  HN      8 GLN  HG3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 122, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   8 GLN  HN     42 GLN  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   8 GLN  HN     42 GLN  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 613, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HN     42 GLN  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HN     43 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 626, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   8 GLN  HN     67 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 987, 988, 989,
 &end
#
#   8 GLN  HN     68 ARG  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 993, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   8 GLN  HN     68 ARG  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 997, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HN     68 ARG  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 998, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HN     68 ARG  HG2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,1000, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   8 GLN  HN     68 ARG  HG3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,1001, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   8 GLN  HN     68 ARG  QG      5.03                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2=1000,1001,
 &end
#
#   8 GLN  HN     69 VAL  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,1017, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   8 GLN  HN     69 VAL  HA      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,1019, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 GLN  HN     70 LEU  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 114,1033, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 GLN  HA      8 GLN  HE21    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 126, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HA      8 GLN  HE22    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 127, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HA      8 GLN  QE2     5.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 126, 127,
 &end
#
#   8 GLN  HA      9 LEU  HA      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 133, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   8 GLN  HA     42 GLN  HA      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 611, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   8 GLN  HA     42 GLN  QB      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2= 613, 614,
 &end
#
#   8 GLN  HA     68 ARG  QB      6.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2= 997, 998,
 &end
#
#   8 GLN  HA     68 ARG  HG2     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 116,1000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 GLN  HA     68 ARG  HG3     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 116,1001, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 GLN  HA     68 ARG  QG      4.77                
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1000,1001,
 &end
#
#   8 GLN  HB2     8 GLN  HE21    7.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 126, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,  &end
#
#   8 GLN  HB2     8 GLN  HE22    7.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 127, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,  &end
#
#   8 GLN  HB2     9 LEU  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 131, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#   8 GLN  HB2     9 LEU  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 133, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HB2    68 ARG  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 993, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HB2    68 ARG  HG2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 118,1000, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 GLN  HB2    68 ARG  HG3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 118,1001, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 GLN  HB3     8 GLN  HE21    7.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 126, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,  &end
#
#   8 GLN  HB3     8 GLN  HE22    7.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 127, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,  &end
#
#   8 GLN  HB3     9 LEU  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 131, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#   8 GLN  HB3     9 LEU  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 133, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HB3    68 ARG  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 993, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HB3    68 ARG  HG2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 119,1000, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 GLN  HB3    68 ARG  HG3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 119,1001, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   8 GLN  QB     42 GLN  HA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 118, 119,
 &end
#
#   8 GLN  QB     68 ARG  HN      5.55                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 118, 119,
 &end
#
#   8 GLN  QB     68 ARG  QG      4.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 118, 119,
 igr2=1000,1001,
 &end
#
#   8 GLN  QB     68 ARG  QD      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
 igr1= 118, 119,
 igr2=1003,1004,
 &end
#
#   8 GLN  HG2     9 LEU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 131, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   8 GLN  HG2    42 GLN  HA      3.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 611, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   8 GLN  HG2    42 GLN  HB2     6.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 613, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 GLN  HG2    42 GLN  HB3     6.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 614, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 GLN  HG2    69 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2=1023,1024,1025,
 &end
#
#   8 GLN  HG2    69 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2=1027,1028,1029,
 &end
#
#   8 GLN  HG3     9 LEU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 131, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   8 GLN  HG3    42 GLN  HA      3.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 611, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   8 GLN  HG3    42 GLN  HB2     6.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 613, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 GLN  HG3    42 GLN  HB3     6.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 614, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#   8 GLN  HG3    69 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2=1023,1024,1025,
 &end
#
#   8 GLN  HG3    69 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2=1027,1028,1029,
 &end
#
#   8 GLN  QG     42 GLN  QB      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 121, 122,
 igr2= 613, 614,
 &end
#
#   8 GLN  QG     68 ARG  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 121, 122,
 &end
#
#   8 GLN  QG     68 ARG  QG      6.15                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 121, 122,
 igr2=1000,1001,
 &end
#
#   8 GLN  QG     69 VAL  QQG     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 121, 122,
 &end
#
#   8 GLN  HE21    9 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HE21   68 ARG  HG2     7.45                
 &rst
  ixpk= 0, nxpk= 0, iat= 126,1000, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,  &end
#
#   8 GLN  HE21   68 ARG  HG3     7.45                
 &rst
  ixpk= 0, nxpk= 0, iat= 126,1001, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,  &end
#
#   8 GLN  HE22    9 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   8 GLN  HE22   68 ARG  HG2     7.45                
 &rst
  ixpk= 0, nxpk= 0, iat= 127,1000, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,  &end
#
#   8 GLN  HE22   68 ARG  HG3     7.45                
 &rst
  ixpk= 0, nxpk= 0, iat= 127,1001, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,  &end
#
#   8 GLN  QE2    40 LEU  HG      6.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
 igr1= 126, 127,
 &end
#
#   8 GLN  QE2    42 GLN  QB      7.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1= 126, 127,
 igr2= 613, 614,
 &end
#
#   8 GLN  QE2    68 ARG  QB      7.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1= 126, 127,
 igr2= 997, 998,
 &end
#
#   8 GLN  QE2    68 ARG  QG      6.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr1= 126, 127,
 igr2=1000,1001,
 &end
#
#   9 LEU  HN      9 LEU  HB2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 135, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   9 LEU  HN      9 LEU  HB3     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 136, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   9 LEU  HN      9 LEU  HG      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 138, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  HN      9 LEU  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 140, 141, 142,
 &end
#
#   9 LEU  HN      9 LEU  QD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 144, 145, 146,
 &end
#
#   9 LEU  HN      9 LEU  QQD     4.81                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 137, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   9 LEU  HN     10 GLU  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  HN     41 GLU  HA      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 596, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#   9 LEU  HN     42 GLN  HA      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 611, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   9 LEU  HN     42 GLN  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 613, 614,
 &end
#
#   9 LEU  HN     42 GLN  QG      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 616, 617,
 &end
#
#   9 LEU  HA      9 LEU  HG      2.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 138, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   9 LEU  HA      9 LEU  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 140, 141, 142,
 &end
#
#   9 LEU  HA      9 LEU  QD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 144, 145, 146,
 &end
#
#   9 LEU  HA     10 GLU  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  HA     10 GLU  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  HA     67 ALA  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 983, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   9 LEU  HA     67 ALA  HA      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 985, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   9 LEU  HA     67 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 987, 988, 989,
 &end
#
#   9 LEU  HA     68 ARG  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 993, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   9 LEU  HA     68 ARG  QG      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2=1000,1001,
 &end
#
#   9 LEU  HB2    10 GLU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9 LEU  HB2    67 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  HB3    10 GLU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9 LEU  HB3    67 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  QB     41 GLU  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
 igr1= 135, 136,
 igr2= 598, 599,
 &end
#
#   9 LEU  QB     42 GLN  HA      5.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 135, 136,
 &end
#
#   9 LEU  QB     43 ALA  HN      6.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 135, 136,
 &end
#
#   9 LEU  QB     43 ALA  QB      7.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1= 135, 136,
 igr2= 630, 631, 632,
 &end
#
#   9 LEU  QB     44 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 135, 136,
 &end
#
#   9 LEU  HG     10 GLU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   9 LEU  HG     38 PHE  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 553, 561,
 &end
#
#   9 LEU  HG     38 PHE  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 555, 559,
 &end
#
#   9 LEU  HG     60 VAL  HB      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 876, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   9 LEU  HG     67 ALA  HA      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 985, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   9 LEU  QD1    10 GLU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 150, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 140, 141, 142,
 &end
#
#   9 LEU  QD1    21 ILE  QD1     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 140, 141, 142,
 igr2= 300, 301, 302,
 &end
#
#   9 LEU  QD1    65 TYR  HB2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 140, 141, 142,
 &end
#
#   9 LEU  QD1    65 TYR  HB3    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 140, 141, 142,
 &end
#
#   9 LEU  QD1    66 HIS+ HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 140, 141, 142,
 &end
#
#   9 LEU  QD2    10 GLU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 150, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 144, 145, 146,
 &end
#
#   9 LEU  QD2    21 ILE  QD1     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 144, 145, 146,
 igr2= 300, 301, 302,
 &end
#
#   9 LEU  QD2    65 TYR  HB2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 144, 145, 146,
 &end
#
#   9 LEU  QD2    65 TYR  HB3    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 144, 145, 146,
 &end
#
#   9 LEU  QD2    66 HIS+ HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 144, 145, 146,
 &end
#
#   9 LEU  QQD    18 ALA  HA      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 257, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   9 LEU  QQD    21 ILE  QD1     7.54                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr2= 300, 301, 302,
 &end
#
#   9 LEU  QQD    41 GLU  QB      9.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3=10.74, r4=11.24,
 igr2= 598, 599,
 &end
#
#   9 LEU  QQD    60 VAL  QQG    11.13                
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 875, r1= 1.30, r2= 1.80, r3=11.13, r4=11.63,  &end
#
#   9 LEU  QQD    61 GLU  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 888, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   9 LEU  QQD    65 TYR  QB      8.52                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr2= 948, 949,
 &end
#
#   9 LEU  QQD    67 ALA  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 983, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#   9 LEU  QQD    67 ALA  QB      7.87                
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
 igr2= 987, 988, 989,
 &end
#
#   9 LEU  QQD    68 ARG  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 993, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#  10 GLU  HN     10 GLU  HG2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 157, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  10 GLU  HN     10 GLU  HG3     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 158, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  10 GLU  HN     10 GLU  QG      4.99                
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 157, 158,
 &end
#
#  10 GLU  HN     66 HIS+ HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 965, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  10 GLU  HN     66 HIS+ QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 969, 970,
 &end
#
#  10 GLU  HN     67 ALA  HA      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 985, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  10 GLU  HA     10 GLU  QG      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 157, 158,
 &end
#
#  10 GLU  HA     11 GLY  HA1     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 167, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  10 GLU  HA     11 GLY  HA2     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 168, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  10 GLU  HA     11 GLY  QA      4.54                
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 167, 168,
 &end
#
#  10 GLU  HA     65 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 954, 959,
 &end
#
#  10 GLU  HB2    11 GLY  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 GLU  HB2    66 HIS+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 965, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  10 GLU  HB2    66 HIS+ HB2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 969, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  10 GLU  HB2    66 HIS+ HB3     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 970, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  10 GLU  HB3    11 GLY  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 GLU  HB3    66 HIS+ HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 965, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  10 GLU  HB3    66 HIS+ HB2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 969, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  10 GLU  HB3    66 HIS+ HB3     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 970, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  10 GLU  QB     60 VAL  QQG     9.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr1= 154, 155,
 &end
#
#  10 GLU  QB     65 TYR  QB      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 154, 155,
 igr2= 948, 949,
 &end
#
#  10 GLU  QB     66 HIS+ QB      4.48                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 154, 155,
 igr2= 969, 970,
 &end
#
#  10 GLU  HG2    11 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  10 GLU  HG2    11 GLY  HA1     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 167, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG2    11 GLY  HA2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 168, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG2    66 HIS+ HB2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 969, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG2    66 HIS+ HB3     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 970, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG3    11 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  10 GLU  HG3    11 GLY  HA1     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 167, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG3    11 GLY  HA2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 168, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG3    66 HIS+ HB2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 969, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  HG3    66 HIS+ HB3     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 970, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  10 GLU  QG     11 GLY  QA      6.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09,
 igr1= 157, 158,
 igr2= 167, 168,
 &end
#
#  10 GLU  QG     66 HIS+ QB      6.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09,
 igr1= 157, 158,
 igr2= 969, 970,
 &end
#
#  11 GLY  HN     12 MET  HN      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 172, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  11 GLY  HA1    65 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 954, 959,
 &end
#
#  11 GLY  HA2    65 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 954, 959,
 &end
#
#  11 GLY  QA     12 MET  HA      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 167, 168,
 &end
#
#  11 GLY  QA     65 TYR  HA      4.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 167, 168,
 &end
#
#  11 GLY  QA     65 TYR  QB      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 167, 168,
 igr2= 948, 949,
 &end
#
#  11 GLY  QA     66 HIS+ HN      5.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 167, 168,
 &end
#
#  12 MET  HN     12 MET  HG2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 179, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  12 MET  HN     12 MET  HG3     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 180, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  12 MET  HN     12 MET  QG      4.01                
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 179, 180,
 &end
#
#  12 MET  HN     21 ILE  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 300, 301, 302,
 &end
#
#  12 MET  HN     60 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  12 MET  HN     65 TYR  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 948, 949,
 &end
#
#  12 MET  HA     17 CYS  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 248, 249,
 &end
#
#  12 MET  HA     18 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 259, 260, 261,
 &end
#
#  12 MET  QB     18 ALA  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 176, 177,
 &end
#
#  12 MET  QB     18 ALA  HA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 176, 177,
 &end
#
#  12 MET  QB     21 ILE  QD1     7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 176, 177,
 igr2= 300, 301, 302,
 &end
#
#  12 MET  QB     38 PHE  QD      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 176, 177,
 igr2= 553, 561,
 &end
#
#  12 MET  QB     38 PHE  QE      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 176, 177,
 igr2= 555, 559,
 &end
#
#  12 MET  QB     65 TYR  QE      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 176, 177,
 igr2= 954, 959,
 &end
#
#  12 MET  QG     18 ALA  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 179, 180,
 igr2= 259, 260, 261,
 &end
#
#  12 MET  QG     21 ILE  QD1     7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 179, 180,
 igr2= 300, 301, 302,
 &end
#
#  12 MET  QG     65 TYR  QB      6.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,
 igr1= 179, 180,
 igr2= 948, 949,
 &end
#
#  12 MET  QG     65 TYR  QE      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 179, 180,
 igr2= 954, 959,
 &end
#
#  16 ALA  HN     17 CYS  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 244, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  16 ALA  QB     17 CYS  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 238, 239, 240,
 &end
#
#  17 CYS  HN     18 ALA  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 255, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  17 CYS  HN     19 SER  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 269, 270,
 &end
#
#  17 CYS  HN     62 ARG  QD      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 913, 914,
 &end
#
#  17 CYS  HA     20 SER  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 276, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  17 CYS  HA     20 SER  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 280, 281,
 &end
#
#  17 CYS  HA     21 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  17 CYS  QB     18 ALA  HN      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 248, 249,
 &end
#
#  17 CYS  QB     20 SER  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 248, 249,
 igr2= 280, 281,
 &end
#
#  17 CYS  QB     62 ARG  QG      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 248, 249,
 igr2= 910, 911,
 &end
#
#  17 CYS  QB     65 TYR  QB      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1= 248, 249,
 igr2= 948, 949,
 &end
#
#  18 ALA  HN     19 SER  HN      3.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 265, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  18 ALA  HN     19 SER  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 267, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  18 ALA  HN     36 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  18 ALA  HN     62 ARG  QD      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 913, 914,
 &end
#
#  18 ALA  HA     21 ILE  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 287, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  18 ALA  HA     21 ILE  HB      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  18 ALA  HA     21 ILE  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 293, 294, 295,
 &end
#
#  18 ALA  HA     21 ILE  QG1     6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 297, 298,
 &end
#
#  18 ALA  HA     21 ILE  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 300, 301, 302,
 &end
#
#  18 ALA  HA     22 GLU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 306, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  18 ALA  HA     36 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  18 ALA  QB     19 SER  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 259, 260, 261,
 &end
#
#  18 ALA  QB     19 SER  HA      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 259, 260, 261,
 &end
#
#  18 ALA  QB     19 SER  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 259, 260, 261,
 igr2= 269, 270,
 &end
#
#  18 ALA  QB     36 VAL  HB      6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 259, 260, 261,
 &end
#
#  18 ALA  QB     36 VAL  QQG     8.66                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3=10.40, r4=10.90,
 igr1= 259, 260, 261,
 &end
#
#  18 ALA  QB     38 PHE  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 259, 260, 261,
 &end
#
#  18 ALA  QB     38 PHE  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 259, 260, 261,
 &end
#
#  18 ALA  QB     38 PHE  QD      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 259, 260, 261,
 igr2= 553, 561,
 &end
#
#  18 ALA  QB     38 PHE  QE      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 259, 260, 261,
 igr2= 555, 559,
 &end
#
#  19 SER  HN     20 SER  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 276, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  19 SER  HN     20 SER  QB      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2= 280, 281,
 &end
#
#  19 SER  HN     36 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  19 SER  HA     21 ILE  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 287, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  19 SER  HA     22 GLU  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 306, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  19 SER  HA     22 GLU  HB2     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 310, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  19 SER  HA     22 GLU  HB3     4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 311, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  19 SER  HA     22 GLU  QB      4.22                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 310, 311,
 &end
#
#  19 SER  HA     22 GLU  QG      3.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 313, 314,
 &end
#
#  19 SER  HA     23 ARG  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 321, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  19 SER  HA     23 ARG  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 325, 326,
 &end
#
#  19 SER  HA     36 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 521, 522, 523,
 &end
#
#  19 SER  HA     36 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 525, 526, 527,
 &end
#
#  19 SER  QB     20 SER  HA      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 269, 270,
 &end
#
#  19 SER  QB     20 SER  QB      7.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 269, 270,
 igr2= 280, 281,
 &end
#
#  19 SER  QB     21 ILE  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 269, 270,
 &end
#
#  19 SER  QB     36 VAL  QG1     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 269, 270,
 igr2= 521, 522, 523,
 &end
#
#  19 SER  QB     36 VAL  QG2     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 269, 270,
 igr2= 525, 526, 527,
 &end
#
#  19 SER  QB     63 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 269, 270,
 igr2= 931, 932, 933,
 &end
#
#  20 SER  HN     21 ILE  HN      3.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 287, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  20 SER  HN     21 ILE  HB      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  20 SER  HN     21 ILE  QG1     6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 297, 298,
 &end
#
#  20 SER  HA     22 GLU  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 306, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  20 SER  HA     23 ARG  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  20 SER  HA     23 ARG  QB      3.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 325, 326,
 &end
#
#  20 SER  HA     23 ARG  QG      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 328, 329,
 &end
#
#  20 SER  HA     24 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  20 SER  QB     21 ILE  HB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 280, 281,
 &end
#
#  20 SER  QB     21 ILE  QG1     7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
 igr1= 280, 281,
 igr2= 297, 298,
 &end
#
#  20 SER  QB     23 ARG  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
 igr1= 280, 281,
 igr2= 325, 326,
 &end
#
#  21 ILE  HN     21 ILE  HB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  21 ILE  HN     21 ILE  HG12    4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 297, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  21 ILE  HN     21 ILE  HG13    4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 298, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  21 ILE  HN     21 ILE  QG1     4.32                
 &rst
  ixpk= 0, nxpk= 0, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 297, 298,
 &end
#
#  21 ILE  HN     21 ILE  QD1     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 300, 301, 302,
 &end
#
#  21 ILE  HN     22 GLU  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 306, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  21 ILE  HN     22 GLU  QB      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 310, 311,
 &end
#
#  21 ILE  HN     36 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  21 ILE  HA     21 ILE  QG2     3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 293, 294, 295,
 &end
#
#  21 ILE  HA     21 ILE  HG12    4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  21 ILE  HA     21 ILE  HG13    4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 298, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  21 ILE  HA     21 ILE  QG1     3.96                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 297, 298,
 &end
#
#  21 ILE  HA     21 ILE  QD1     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 300, 301, 302,
 &end
#
#  21 ILE  HA     23 ARG  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 321, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  21 ILE  HA     24 ALA  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 345, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  21 ILE  HA     24 ALA  QB      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 349, 350, 351,
 &end
#
#  21 ILE  HA     25 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  21 ILE  HA     25 ILE  QG1     6.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr2= 365, 366,
 &end
#
#  21 ILE  HA     60 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  21 ILE  HA     63 ALA  QB      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr2= 931, 932, 933,
 &end
#
#  21 ILE  HB     22 GLU  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 306, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  21 ILE  HB     22 GLU  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 308, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  21 ILE  HB     23 ARG  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 321, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  21 ILE  HB     36 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  21 ILE  QG2    22 GLU  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    22 GLU  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    24 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    25 ILE  HN      6.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    25 ILE  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    25 ILE  HB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    25 ILE  HG12    6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    25 ILE  HG13    6.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    25 ILE  QD1     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 293, 294, 295,
 igr2= 368, 369, 370,
 &end
#
#  21 ILE  QG2    26 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    43 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 293, 294, 295,
 igr2= 630, 631, 632,
 &end
#
#  21 ILE  QG2    45 VAL  QQG     9.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3=11.48, r4=11.98,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    59 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 293, 294, 295,
 igr2= 866, 867, 868,
 &end
#
#  21 ILE  QG2    60 VAL  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  QG2    60 VAL  HB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 293, 294, 295,
 &end
#
#  21 ILE  HG12   60 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 878, 879, 880,
 &end
#
#  21 ILE  HG12   60 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 882, 883, 884,
 &end
#
#  21 ILE  HG12   65 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 954, 959,
 &end
#
#  21 ILE  HG13   60 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 298,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 878, 879, 880,
 &end
#
#  21 ILE  HG13   60 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 298,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 882, 883, 884,
 &end
#
#  21 ILE  HG13   65 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 954, 959,
 &end
#
#  21 ILE  QG1    22 GLU  HN      6.58                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr1= 297, 298,
 &end
#
#  21 ILE  QG1    60 VAL  QQG     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 297, 298,
 &end
#
#  21 ILE  QD1    22 GLU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 300, 301, 302,
 &end
#
#  21 ILE  QD1    65 TYR  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 300, 301, 302,
 &end
#
#  21 ILE  QD1    65 TYR  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 300, 301, 302,
 &end
#
#  21 ILE  QD1    65 TYR  QE      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 300, 301, 302,
 igr2= 954, 959,
 &end
#
#  21 ILE  QD1    66 HIS+ HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 300, 301, 302,
 &end
#
#  22 GLU  HN     22 GLU  QB      3.77                
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 310, 311,
 &end
#
#  22 GLU  HN     22 GLU  HG2     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 313, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  22 GLU  HN     22 GLU  HG3     3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 314, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  22 GLU  HN     22 GLU  QG      3.55                
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 313, 314,
 &end
#
#  22 GLU  HN     23 ARG  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 321, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  22 GLU  HN     23 ARG  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 325, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HN     23 ARG  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 326, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HN     23 ARG  QB      5.36                
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 325, 326,
 &end
#
#  22 GLU  HN     36 VAL  QQG     7.66                
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 518, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,  &end
#
#  22 GLU  HA     22 GLU  QG      3.51                
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 313, 314,
 &end
#
#  22 GLU  HA     24 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HA     24 ALA  QB      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2= 349, 350, 351,
 &end
#
#  22 GLU  HA     25 ILE  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 355, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  22 GLU  HA     25 ILE  HB      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 359, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  22 GLU  HA     25 ILE  QG2     6.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr2= 361, 362, 363,
 &end
#
#  22 GLU  HA     25 ILE  HG12    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HA     25 ILE  HG13    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HA     25 ILE  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 368, 369, 370,
 &end
#
#  22 GLU  HA     26 ALA  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 374, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  22 GLU  HA     34 CYS  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 491, 492,
 &end
#
#  22 GLU  HB2    23 ARG  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 321, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  22 GLU  HB2    23 ARG  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 GLU  HB2    24 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HB2    36 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 521, 522, 523,
 &end
#
#  22 GLU  HB2    36 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 525, 526, 527,
 &end
#
#  22 GLU  HB3    23 ARG  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 321, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  22 GLU  HB3    23 ARG  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 GLU  HB3    24 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HB3    36 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 521, 522, 523,
 &end
#
#  22 GLU  HB3    36 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 525, 526, 527,
 &end
#
#  22 GLU  QB     25 ILE  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 310, 311,
 &end
#
#  22 GLU  QB     26 ALA  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 310, 311,
 &end
#
#  22 GLU  QB     34 CYS  HA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 310, 311,
 &end
#
#  22 GLU  QB     34 CYS  QB      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 310, 311,
 igr2= 491, 492,
 &end
#
#  22 GLU  QB     36 VAL  QQG     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 310, 311,
 &end
#
#  22 GLU  HG2    23 ARG  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  22 GLU  HG2    36 VAL  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  HG3    23 ARG  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 321, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  22 GLU  HG3    36 VAL  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  22 GLU  QG     23 ARG  HN      5.19                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 313, 314,
 &end
#
#  22 GLU  QG     36 VAL  HN      5.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 313, 314,
 &end
#
#  22 GLU  QG     36 VAL  QQG     9.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr1= 313, 314,
 &end
#
#  23 ARG  HN     23 ARG  HB2     3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  23 ARG  HN     23 ARG  HB3     3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  23 ARG  HN     23 ARG  QB      3.39                
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 325, 326,
 &end
#
#  23 ARG  HN     23 ARG  QG      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 328, 329,
 &end
#
#  23 ARG  HN     23 ARG  HD2     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 331, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  23 ARG  HN     23 ARG  HD3     5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 332, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  23 ARG  HN     23 ARG  QD      4.92                
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 331, 332,
 &end
#
#  23 ARG  HN     24 ALA  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 345, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  23 ARG  HN     24 ALA  QB      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 349, 350, 351,
 &end
#
#  23 ARG  HN     25 ILE  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 355, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  23 ARG  HN     27 LYS  QE      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 397, 398,
 &end
#
#  23 ARG  HA     23 ARG  HD2     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 331, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  23 ARG  HA     23 ARG  HD3     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 332, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  23 ARG  HA     23 ARG  QD      4.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 331, 332,
 &end
#
#  23 ARG  HA     24 ALA  HA      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 347, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  23 ARG  HA     25 ILE  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 355, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  23 ARG  HA     25 ILE  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 359, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 ARG  HA     26 ALA  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 374, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  23 ARG  HA     26 ALA  QB      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 378, 379, 380,
 &end
#
#  23 ARG  HA     27 LYS  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 ARG  HB2    24 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 345, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  23 ARG  HB3    24 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 345, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  23 ARG  QB     24 ALA  HA      5.28                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 325, 326,
 &end
#
#  23 ARG  QG     24 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 328, 329,
 &end
#
#  23 ARG  QG     24 ALA  HA      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 328, 329,
 &end
#
#  23 ARG  QG     26 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 328, 329,
 &end
#
#  23 ARG  QG     26 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 328, 329,
 igr2= 378, 379, 380,
 &end
#
#  24 ALA  HN     24 ALA  QB      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 349, 350, 351,
 &end
#
#  24 ALA  HN     25 ILE  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 355, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  24 ALA  HN     25 ILE  HB      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 359, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  24 ALA  HN     25 ILE  QG1     6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 365, 366,
 &end
#
#  24 ALA  HN     26 ALA  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 374, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  24 ALA  HA     25 ILE  HA      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 357, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  24 ALA  HA     26 ALA  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 374, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  24 ALA  HA     27 LYS  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 384, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  24 ALA  HA     27 LYS  QB      5.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 388, 389,
 &end
#
#  24 ALA  HA     27 LYS  HG2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 391, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  24 ALA  HA     27 LYS  HG3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  24 ALA  HA     27 LYS  QG      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 391, 392,
 &end
#
#  24 ALA  HA     27 LYS  HD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  24 ALA  HA     27 LYS  HD3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  24 ALA  HA     27 LYS  QD      5.74                
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 394, 395,
 &end
#
#  24 ALA  QB     25 ILE  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 349, 350, 351,
 &end
#
#  24 ALA  QB     25 ILE  HA      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 349, 350, 351,
 &end
#
#  24 ALA  QB     26 ALA  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 349, 350, 351,
 &end
#
#  24 ALA  QB     59 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 349, 350, 351,
 igr2= 866, 867, 868,
 &end
#
#  24 ALA  QB     60 VAL  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 349, 350, 351,
 &end
#
#  25 ILE  HN     25 ILE  HB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 359, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  25 ILE  HN     25 ILE  QG2     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 361, 362, 363,
 &end
#
#  25 ILE  HN     25 ILE  HG12    3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 365, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  25 ILE  HN     25 ILE  HG13    3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 366, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  25 ILE  HN     25 ILE  QD1     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 368, 369, 370,
 &end
#
#  25 ILE  HN     26 ALA  HN      2.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 374, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#  25 ILE  HN     26 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 376, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  25 ILE  HN     27 LYS  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  25 ILE  HN     45 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  25 ILE  HA     27 LYS  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 384, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  25 ILE  HA     27 LYS  QB      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2= 388, 389,
 &end
#
#  25 ILE  HA     28 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 406, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  25 ILE  HA     28 VAL  HB      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 410, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  25 ILE  HA     28 VAL  QG1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 412, 413, 414,
 &end
#
#  25 ILE  HA     28 VAL  QG2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 416, 417, 418,
 &end
#
#  25 ILE  HA     28 VAL  QQG     5.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 409, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  25 ILE  HA     59 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 866, 867, 868,
 &end
#
#  25 ILE  HB     26 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 374, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  25 ILE  HB     26 ALA  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 376, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  25 ILE  HB     26 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 378, 379, 380,
 &end
#
#  25 ILE  HB     27 LYS  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  25 ILE  QG2    26 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 361, 362, 363,
 &end
#
#  25 ILE  QG2    26 ALA  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 361, 362, 363,
 &end
#
#  25 ILE  QG2    27 LYS  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 361, 362, 363,
 &end
#
#  25 ILE  QG2    28 VAL  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 361, 362, 363,
 &end
#
#  25 ILE  QG2    34 CYS  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 361, 362, 363,
 igr2= 491, 492,
 &end
#
#  25 ILE  QG2    47 TYR  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 361, 362, 363,
 igr2= 683, 684,
 &end
#
#  25 ILE  QG2    59 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 361, 362, 363,
 igr2= 866, 867, 868,
 &end
#
#  25 ILE  HG12   59 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 866, 867, 868,
 &end
#
#  25 ILE  HG13   59 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 866, 867, 868,
 &end
#
#  25 ILE  QG1    26 ALA  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 365, 366,
 &end
#
#  25 ILE  QG1    45 VAL  QQG     9.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr1= 365, 366,
 &end
#
#  25 ILE  QD1    26 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 368, 369, 370,
 &end
#
#  25 ILE  QD1    43 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 368, 369, 370,
 igr2= 630, 631, 632,
 &end
#
#  25 ILE  QD1    45 VAL  QG1     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 368, 369, 370,
 igr2= 658, 659, 660,
 &end
#
#  25 ILE  QD1    45 VAL  QG2     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 368, 369, 370,
 igr2= 662, 663, 664,
 &end
#
#  25 ILE  QD1    59 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 368, 369, 370,
 igr2= 866, 867, 868,
 &end
#
#  25 ILE  QD1    60 VAL  QQG     9.56                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3=11.48, r4=11.98,
 igr1= 368, 369, 370,
 &end
#
#  26 ALA  HN     26 ALA  QB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 378, 379, 380,
 &end
#
#  26 ALA  HN     27 LYS  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 384, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  26 ALA  HN     27 LYS  QB      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 388, 389,
 &end
#
#  26 ALA  HN     28 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 406, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  26 ALA  HN     28 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 409, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  26 ALA  HN     31 VAL  QG1     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 449, 450, 451,
 &end
#
#  26 ALA  HN     31 VAL  QG2     6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 453, 454, 455,
 &end
#
#  26 ALA  HN     31 VAL  QQG     6.21                
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 446, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,  &end
#
#  26 ALA  HN     34 CYS  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  26 ALA  HN     34 CYS  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 492, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  26 ALA  HA     28 VAL  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 406, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  26 ALA  HA     31 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 447, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  26 ALA  HA     31 VAL  QG1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 449, 450, 451,
 &end
#
#  26 ALA  HA     31 VAL  QG2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 453, 454, 455,
 &end
#
#  26 ALA  HA     31 VAL  QQG     4.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 446, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  26 ALA  QB     27 LYS  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 378, 379, 380,
 &end
#
#  26 ALA  QB     27 LYS  HA      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 378, 379, 380,
 &end
#
#  26 ALA  QB     33 SER  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 378, 379, 380,
 &end
#
#  27 LYS  HN     27 LYS  QB      3.77                
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 388, 389,
 &end
#
#  27 LYS  HN     27 LYS  HG2     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 391, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  27 LYS  HN     27 LYS  HG3     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 392, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  27 LYS  HN     27 LYS  QG      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 391, 392,
 &end
#
#  27 LYS  HN     27 LYS  QD      4.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 394, 395,
 &end
#
#  27 LYS  HN     27 LYS  HE2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 397, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  27 LYS  HN     27 LYS  HE3     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 398, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  27 LYS  HN     27 LYS  QE      5.63                
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 397, 398,
 &end
#
#  27 LYS  HN     28 VAL  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  27 LYS  HN     28 VAL  HB      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 410, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  27 LYS  HN     28 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 412, 413, 414,
 &end
#
#  27 LYS  HN     28 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 416, 417, 418,
 &end
#
#  27 LYS  HN     31 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 447, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HA     27 LYS  HG2     3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 391, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  27 LYS  HA     27 LYS  HG3     3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 392, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  27 LYS  HA     27 LYS  QG      3.25                
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 391, 392,
 &end
#
#  27 LYS  HA     27 LYS  HD2     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 394, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  27 LYS  HA     27 LYS  HD3     4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 395, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  27 LYS  HA     27 LYS  HE2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HA     27 LYS  HE3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HA     27 LYS  QE      5.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 397, 398,
 &end
#
#  27 LYS  HA     28 VAL  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 408, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 LYS  HA     29 PRO  QD      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 423, 424,
 &end
#
#  27 LYS  HA     31 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 446, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  27 LYS  HB2    27 LYS  HE2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HB2    27 LYS  HE3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HB2    28 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 406, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  27 LYS  HB2    28 VAL  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 LYS  HB3    27 LYS  HE2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HB3    27 LYS  HE3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  27 LYS  HB3    28 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 406, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  27 LYS  HB3    28 VAL  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 LYS  QB     28 VAL  HA      4.95                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 388, 389,
 &end
#
#  27 LYS  QB     29 PRO  QD      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 388, 389,
 igr2= 423, 424,
 &end
#
#  27 LYS  QG     28 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 391, 392,
 &end
#
#  27 LYS  QD     28 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 394, 395,
 &end
#
#  28 VAL  HN     28 VAL  HB      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 410, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  28 VAL  HN     28 VAL  QQG     4.01                
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 409, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  28 VAL  HN     29 PRO  QD      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 423, 424,
 &end
#
#  28 VAL  HN     31 VAL  HB      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 447, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  28 VAL  HN     31 VAL  QQG     5.96                
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 446, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  28 VAL  HA     29 PRO  HA      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 432, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  28 VAL  HA     29 PRO  QB      5.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 429, 430,
 &end
#
#  28 VAL  HA     29 PRO  HG2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 426, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  28 VAL  HA     29 PRO  HG3     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 427, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  28 VAL  HA     29 PRO  QG      5.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 426, 427,
 &end
#
#  28 VAL  HA     31 VAL  QQG     7.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 446, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,  &end
#
#  28 VAL  HB     29 PRO  HD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  28 VAL  HB     29 PRO  HD3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  28 VAL  HB     31 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 443, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  28 VAL  HB     31 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 449, 450, 451,
 &end
#
#  28 VAL  HB     31 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 453, 454, 455,
 &end
#
#  28 VAL  HB     31 VAL  QQG     6.67                
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 446, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
#  28 VAL  QG1    29 PRO  HD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 412, 413, 414,
 &end
#
#  28 VAL  QG1    29 PRO  HD3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 412, 413, 414,
 &end
#
#  28 VAL  QG2    29 PRO  HD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 416, 417, 418,
 &end
#
#  28 VAL  QG2    29 PRO  HD3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 416, 417, 418,
 &end
#
#  28 VAL  QQG    29 PRO  QD      6.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr2= 423, 424,
 &end
#
#  28 VAL  QQG    30 GLY  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 436, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  28 VAL  QQG    31 VAL  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 443, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  28 VAL  QQG    32 GLN  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 459, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  28 VAL  QQG    33 SER  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 476, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  28 VAL  QQG    59 ALA  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 862, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  29 PRO  HA     30 GLY  QA      5.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 438, 439,
 &end
#
#  29 PRO  HA     31 VAL  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 443, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  29 PRO  HA     31 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 446, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  29 PRO  QB     30 GLY  QA      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 429, 430,
 igr2= 438, 439,
 &end
#
#  29 PRO  QB     31 VAL  HN      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 429, 430,
 &end
#
#  30 GLY  HN     31 VAL  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 443, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  30 GLY  HA1    48 HIST HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  30 GLY  HA2    48 HIST HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  30 GLY  QA     31 VAL  HA      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 438, 439,
 &end
#
#  30 GLY  QA     48 HIST HN      5.79                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 438, 439,
 &end
#
#  30 GLY  QA     48 HIST QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
 igr1= 438, 439,
 igr2= 704, 705,
 &end
#
#  30 GLY  QA     48 HIST HD2     6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 438, 439,
 &end
#
#  31 VAL  HN     32 GLN  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 459, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  31 VAL  HN     47 TYR  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 VAL  HN     47 TYR  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 683, 684,
 &end
#
#  31 VAL  HA     32 GLN  HA      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 461, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  31 VAL  HA     33 SER  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 476, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  31 VAL  HA     45 VAL  QQG     5.96                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 655, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  31 VAL  HA     47 TYR  HA      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  31 VAL  HA     47 TYR  HB2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 683, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  31 VAL  HA     47 TYR  HB3     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 684, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  31 VAL  HA     47 TYR  QB      5.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 683, 684,
 &end
#
#  31 VAL  HA     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#  31 VAL  HA     47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#  31 VAL  HA     48 HIST HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 700, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  31 VAL  HB     32 GLN  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 459, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  31 VAL  HB     47 TYR  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 VAL  QG1    32 GLN  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    32 GLN  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    32 GLN  HG2     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    32 GLN  HG3     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 467, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    32 GLN  HE21    8.73                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    32 GLN  HE22    8.73                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    33 SER  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    47 TYR  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG1    47 TYR  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 449, 450, 451,
 &end
#
#  31 VAL  QG2    32 GLN  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    32 GLN  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    32 GLN  HG2     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    32 GLN  HG3     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 467, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    32 GLN  HE21    8.73                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    32 GLN  HE22    8.73                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    33 SER  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    47 TYR  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QG2    47 TYR  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 453, 454, 455,
 &end
#
#  31 VAL  QQG    32 GLN  HN      5.42                
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 459, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  31 VAL  QQG    32 GLN  QG      7.72                
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17,
 igr2= 466, 467,
 &end
#
#  31 VAL  QQG    32 GLN  QE2     7.71                
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2= 471, 472,
 &end
#
#  31 VAL  QQG    33 SER  HN      4.63                
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 476, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  31 VAL  QQG    34 CYS  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 487, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  31 VAL  QQG    46 SER  HN      7.66                
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 668, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,  &end
#
#  31 VAL  QQG    46 SER  HA      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 670, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  31 VAL  QQG    47 TYR  HA      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 681, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  31 VAL  QQG    47 TYR  QD     10.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35,
 igr2= 687, 696,
 &end
#
#  31 VAL  QQG    47 TYR  QE     10.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35,
 igr2= 689, 694,
 &end
#
#  31 VAL  QQG    56 LEU  QB      9.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
 igr2= 821, 822,
 &end
#
#  32 GLN  HN     32 GLN  HG2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HN     32 GLN  HG3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HN     32 GLN  QG      5.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 466, 467,
 &end
#
#  32 GLN  HN     33 SER  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 476, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  32 GLN  HN     46 SER  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 672, 673,
 &end
#
#  32 GLN  HN     47 TYR  HA      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 681, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  32 GLN  HN     47 TYR  HB2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 683, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HN     47 TYR  HB3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HN     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#  32 GLN  HA     32 GLN  QG      3.77                
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 466, 467,
 &end
#
#  32 GLN  HA     32 GLN  NE2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 471, 472,
 &end
#
#  32 GLN  HA     32 GLN  HE21    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HA     32 GLN  HE22    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  QB     33 SER  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  QB     33 SER  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  QB     46 SER  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  QB     46 SER  HB2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  QB     46 SER  HB3     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  QB     47 TYR  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  QB     48 HIST HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 463, 464,
 &end
#
#  32 GLN  HG2    33 SER  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HG2    33 SER  HB2     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 480, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  32 GLN  HG2    33 SER  HB3     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 481, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  32 GLN  HG2    46 SER  HB2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 672, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  32 GLN  HG2    46 SER  HB3     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 673, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  32 GLN  HG2    48 HIST HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HG2    48 HIST HD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HG3    33 SER  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HG3    33 SER  HB2     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 480, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  32 GLN  HG3    33 SER  HB3     7.15                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 481, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  32 GLN  HG3    46 SER  HB2     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 672, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  32 GLN  HG3    46 SER  HB3     7.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 673, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,  &end
#
#  32 GLN  HG3    48 HIST HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  HG3    48 HIST HD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  32 GLN  QG     33 SER  QB      6.35                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1= 466, 467,
 igr2= 480, 481,
 &end
#
#  32 GLN  QG     46 SER  QB      6.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09,
 igr1= 466, 467,
 igr2= 672, 673,
 &end
#
#  32 GLN  HE21   35 GLN  HE21    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 510, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  32 GLN  HE21   35 GLN  HE22    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 511, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  32 GLN  HE22   35 GLN  HE21    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 510, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  32 GLN  HE22   35 GLN  HE22    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 511, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  32 GLN  QE2    33 SER  QB      7.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1= 471, 472,
 igr2= 480, 481,
 &end
#
#  32 GLN  QE2    35 GLN  QE2     6.81                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 471, 472,
 igr2= 510, 511,
 &end
#
#  33 SER  HN     34 CYS  HA      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 489, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  33 SER  HN     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  33 SER  HN     45 VAL  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  33 SER  HN     46 SER  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 668, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  33 SER  HN     46 SER  HB2     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 672, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  33 SER  HN     46 SER  HB3     5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 673, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  33 SER  HN     47 TYR  HA      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 681, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  33 SER  HA     34 CYS  HN      2.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 487, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  33 SER  HA     45 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  33 SER  HB2    34 CYS  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  33 SER  HB3    34 CYS  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 487, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  33 SER  QB     34 CYS  HN      3.99                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 480, 481,
 &end
#
#  33 SER  QB     35 GLN  QG      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 480, 481,
 igr2= 505, 506,
 &end
#
#  33 SER  QB     35 GLN  QE2     7.74                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
 igr1= 480, 481,
 igr2= 510, 511,
 &end
#
#  33 SER  QB     46 SER  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 480, 481,
 &end
#
#  33 SER  QB     46 SER  QB      5.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 480, 481,
 igr2= 672, 673,
 &end
#
#  34 CYS  HA     35 GLN  HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 498, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  34 CYS  HA     44 VAL  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 636, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  34 CYS  HA     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  34 CYS  HA     45 VAL  HA      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 654, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  34 CYS  HA     45 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  34 CYS  HA     45 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 658, 659, 660,
 &end
#
#  34 CYS  HA     45 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 662, 663, 664,
 &end
#
#  34 CYS  HA     46 SER  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 CYS  HB2    35 GLN  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 498, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  34 CYS  HB2    44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#  34 CYS  HB2    44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#  34 CYS  HB2    45 VAL  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  34 CYS  HB2    45 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 658, 659, 660,
 &end
#
#  34 CYS  HB2    45 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 662, 663, 664,
 &end
#
#  34 CYS  HB3    35 GLN  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 498, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  34 CYS  HB3    44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#  34 CYS  HB3    44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#  34 CYS  HB3    45 VAL  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  34 CYS  HB3    45 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 658, 659, 660,
 &end
#
#  34 CYS  HB3    45 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 662, 663, 664,
 &end
#
#  34 CYS  QB     35 GLN  HN      5.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 491, 492,
 &end
#
#  34 CYS  QB     35 GLN  HA      4.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 491, 492,
 &end
#
#  34 CYS  QB     44 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 491, 492,
 &end
#
#  34 CYS  QB     44 VAL  QQG     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 491, 492,
 &end
#
#  34 CYS  QB     45 VAL  HA      5.32                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 491, 492,
 &end
#
#  34 CYS  QB     46 SER  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 491, 492,
 &end
#
#  35 GLN  HN     35 GLN  HG2     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 505, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 GLN  HN     35 GLN  HG3     5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 GLN  HN     35 GLN  QG      4.77                
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 505, 506,
 &end
#
#  35 GLN  HN     36 VAL  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 515, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  35 GLN  HN     43 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 628, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  35 GLN  HN     43 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 630, 631, 632,
 &end
#
#  35 GLN  HN     44 VAL  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 636, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  35 GLN  HN     44 VAL  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 638, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  35 GLN  HN     44 VAL  HB      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 640, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  35 GLN  HN     44 VAL  QQG     8.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 639, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,  &end
#
#  35 GLN  HN     45 VAL  HA      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 654, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  35 GLN  HN     45 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  35 GLN  HN     45 VAL  QQG     7.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 655, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,  &end
#
#  35 GLN  HA     35 GLN  QG      3.86                
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 505, 506,
 &end
#
#  35 GLN  HA     35 GLN  QE2     4.87                
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 510, 511,
 &end
#
#  35 GLN  HA     36 VAL  HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 515, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  35 GLN  HA     36 VAL  HB      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  35 GLN  HA     36 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 518, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  35 GLN  HA     44 VAL  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 636, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  35 GLN  QB     43 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 502, 503,
 igr2= 630, 631, 632,
 &end
#
#  35 GLN  QB     44 VAL  HN      6.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1= 502, 503,
 &end
#
#  35 GLN  QB     44 VAL  QG1     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 502, 503,
 igr2= 642, 643, 644,
 &end
#
#  35 GLN  QB     44 VAL  QG2     8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 502, 503,
 igr2= 646, 647, 648,
 &end
#
#  35 GLN  HG2    44 VAL  QG1     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr2= 642, 643, 644,
 &end
#
#  35 GLN  HG2    44 VAL  QG2     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr2= 646, 647, 648,
 &end
#
#  35 GLN  HG3    44 VAL  QG1     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr2= 642, 643, 644,
 &end
#
#  35 GLN  HG3    44 VAL  QG2     8.75                
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr2= 646, 647, 648,
 &end
#
#  35 GLN  QG     44 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 505, 506,
 &end
#
#  35 GLN  QG     44 VAL  QQG     7.72                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17,
 igr1= 505, 506,
 &end
#
#  35 GLN  HE21   44 VAL  QG1     8.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr2= 642, 643, 644,
 &end
#
#  35 GLN  HE21   44 VAL  QG2     8.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr2= 646, 647, 648,
 &end
#
#  35 GLN  HE22   44 VAL  QG1     8.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr2= 642, 643, 644,
 &end
#
#  35 GLN  HE22   44 VAL  QG2     8.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr2= 646, 647, 648,
 &end
#
#  35 GLN  QE2    44 VAL  QQG     6.84                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr1= 510, 511,
 &end
#
#  36 VAL  HN     36 VAL  HB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 519, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  36 VAL  HN     37 ASN  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  36 VAL  HN     42 GLN  QG      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 616, 617,
 &end
#
#  36 VAL  HN     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  36 VAL  HA     37 ASN  HN      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 531, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  36 VAL  HA     37 ASN  HB2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 535, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  36 VAL  HA     37 ASN  HB3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 536, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  36 VAL  HA     37 ASN  QB      4.93                
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 535, 536,
 &end
#
#  36 VAL  HA     38 PHE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 545, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  36 VAL  HA     42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  36 VAL  HA     43 ALA  HA      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 628, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  36 VAL  HA     43 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 630, 631, 632,
 &end
#
#  36 VAL  HA     44 VAL  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 636, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  36 VAL  HA     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  36 VAL  HB     37 ASN  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 531, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  36 VAL  HB     43 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 628, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  36 VAL  HB     43 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 630, 631, 632,
 &end
#
#  36 VAL  QG1    37 ASN  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 521, 522, 523,
 &end
#
#  36 VAL  QG1    37 ASN  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 521, 522, 523,
 &end
#
#  36 VAL  QG1    37 ASN  HD21    9.22                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57,
 igr1= 521, 522, 523,
 &end
#
#  36 VAL  QG1    37 ASN  HD22    9.22                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57,
 igr1= 521, 522, 523,
 &end
#
#  36 VAL  QG2    37 ASN  HN      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 525, 526, 527,
 &end
#
#  36 VAL  QG2    37 ASN  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 525, 526, 527,
 &end
#
#  36 VAL  QG2    37 ASN  HD21    9.22                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57,
 igr1= 525, 526, 527,
 &end
#
#  36 VAL  QG2    37 ASN  HD22    9.22                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57,
 igr1= 525, 526, 527,
 &end
#
#  36 VAL  QQG    37 ASN  HN      5.91                
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 531, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  36 VAL  QQG    37 ASN  QD2     7.46                
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
 igr2= 540, 541,
 &end
#
#  36 VAL  QQG    38 PHE  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 545, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  36 VAL  QQG    38 PHE  QD     10.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35,
 igr2= 553, 561,
 &end
#
#  36 VAL  QQG    43 ALA  HA      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 628, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  36 VAL  QQG    43 ALA  QB      9.36                
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3=11.24, r4=11.74,
 igr2= 630, 631, 632,
 &end
#
#  36 VAL  QQG    44 VAL  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 636, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  37 ASN  HN     37 ASN  HB2     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 535, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  37 ASN  HN     37 ASN  HB3     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 536, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  37 ASN  HN     37 ASN  ND2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 540, 541,
 &end
#
#  37 ASN  HN     37 ASN  QD2     6.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 540, 541,
 &end
#
#  37 ASN  HN     38 PHE  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 545, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  37 ASN  HN     38 PHE  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  37 ASN  HN     40 LEU  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 579, 580,
 &end
#
#  37 ASN  HN     42 GLN  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 609, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  37 ASN  HN     42 GLN  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HN     42 GLN  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 613, 614,
 &end
#
#  37 ASN  HN     42 GLN  QG      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 616, 617,
 &end
#
#  37 ASN  HN     43 ALA  HA      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 628, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  37 ASN  HN     43 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 630, 631, 632,
 &end
#
#  37 ASN  HN     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  37 ASN  HA     37 ASN  HD21    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 540, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HA     37 ASN  HD22    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HA     38 PHE  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 549, 550,
 &end
#
#  37 ASN  HA     40 LEU  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 575, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  37 ASN  HA     42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HB2    40 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 575, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HB2    40 LEU  HG      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 582, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  37 ASN  HB2    40 LEU  QD1    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 584, 585, 586,
 &end
#
#  37 ASN  HB2    40 LEU  QD2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 588, 589, 590,
 &end
#
#  37 ASN  HB2    42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HB3    40 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 575, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  HB3    40 LEU  HG      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 582, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  37 ASN  HB3    40 LEU  QD1    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 584, 585, 586,
 &end
#
#  37 ASN  HB3    40 LEU  QD2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 588, 589, 590,
 &end
#
#  37 ASN  HB3    42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  37 ASN  QB     40 LEU  HN      5.84                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 535, 536,
 &end
#
#  37 ASN  QB     40 LEU  HG      5.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 535, 536,
 &end
#
#  37 ASN  QB     40 LEU  QQD     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 535, 536,
 &end
#
#  37 ASN  QB     41 GLU  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 535, 536,
 &end
#
#  37 ASN  QB     42 GLN  HN      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 535, 536,
 &end
#
#  37 ASN  QB     42 GLN  QB      7.75                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
 igr1= 535, 536,
 igr2= 613, 614,
 &end
#
#  37 ASN  QB     44 VAL  QQG     9.44                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3=10.60, r4=11.10,
 igr1= 535, 536,
 &end
#
#  37 ASN  HD21   40 LEU  HB2     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 579, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD21   40 LEU  HB3     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 580, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD21   40 LEU  QD1    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 584, 585, 586,
 &end
#
#  37 ASN  HD21   40 LEU  QD2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 588, 589, 590,
 &end
#
#  37 ASN  HD21   42 GLN  HG2     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 616, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD21   42 GLN  HG3     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 617, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD21   42 GLN  HE21    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 621, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD21   42 GLN  HE22    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 622, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD22   40 LEU  HB2     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 579, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD22   40 LEU  HB3     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 580, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD22   40 LEU  QD1    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 584, 585, 586,
 &end
#
#  37 ASN  HD22   40 LEU  QD2    10.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr2= 588, 589, 590,
 &end
#
#  37 ASN  HD22   42 GLN  HG2     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 616, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD22   42 GLN  HG3     7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 617, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD22   42 GLN  HE21    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 621, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  HD22   42 GLN  HE22    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 622, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  37 ASN  QD2    39 ALA  QB      7.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11,
 igr1= 540, 541,
 igr2= 569, 570, 571,
 &end
#
#  37 ASN  QD2    40 LEU  QB      6.36                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 540, 541,
 igr2= 579, 580,
 &end
#
#  37 ASN  QD2    40 LEU  HG      6.87                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
 igr1= 540, 541,
 &end
#
#  37 ASN  QD2    40 LEU  QQD     8.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 9.57, r4=10.07,
 igr1= 540, 541,
 &end
#
#  37 ASN  QD2    42 GLN  QG      6.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
 igr1= 540, 541,
 igr2= 616, 617,
 &end
#
#  37 ASN  QD2    42 GLN  QE2     6.81                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 540, 541,
 igr2= 621, 622,
 &end
#
#  37 ASN  QD2    44 VAL  QQG     9.43                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 540, 541,
 &end
#
#  38 PHE  HB2    39 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 565, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  38 PHE  HB3    39 ALA  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 565, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  38 PHE  QB     39 ALA  HN      4.37                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 549, 550,
 &end
#
#  38 PHE  QB     39 ALA  HA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 549, 550,
 &end
#
#  38 PHE  QB     41 GLU  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 549, 550,
 &end
#
#  38 PHE  QD     39 ALA  HN      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 553, 561,
 &end
#
#  38 PHE  QD     39 ALA  HA      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 553, 561,
 &end
#
#  38 PHE  QD     39 ALA  QB      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 553, 561,
 igr2= 569, 570, 571,
 &end
#
#  38 PHE  QE     39 ALA  HA      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 555, 559,
 &end
#
#  38 PHE  QE     39 ALA  QB      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 555, 559,
 igr2= 569, 570, 571,
 &end
#
#  39 ALA  HN     40 LEU  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 575, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  39 ALA  HN     40 LEU  HA      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 577, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  39 ALA  HN     40 LEU  QB      4.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 579, 580,
 &end
#
#  39 ALA  HN     40 LEU  HG      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  39 ALA  HN     40 LEU  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 584, 585, 586,
 &end
#
#  39 ALA  HN     40 LEU  QD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 588, 589, 590,
 &end
#
#  39 ALA  HN     41 GLU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 594, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  39 ALA  HN     41 GLU  QG      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 601, 602,
 &end
#
#  39 ALA  HA     40 LEU  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  39 ALA  HA     41 GLU  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 594, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  39 ALA  QB     40 LEU  HN      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 569, 570, 571,
 &end
#
#  39 ALA  QB     40 LEU  HA      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 569, 570, 571,
 &end
#
#  39 ALA  QB     41 GLU  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 569, 570, 571,
 &end
#
#  40 LEU  HN     40 LEU  QB      3.71                
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 579, 580,
 &end
#
#  40 LEU  HN     40 LEU  HG      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 582, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  40 LEU  HN     40 LEU  QD1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 584, 585, 586,
 &end
#
#  40 LEU  HN     40 LEU  QD2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 588, 589, 590,
 &end
#
#  40 LEU  HN     40 LEU  QQD     4.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  40 LEU  HN     41 GLU  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 594, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  40 LEU  HN     41 GLU  HA      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 596, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  40 LEU  HN     41 GLU  HG2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 601, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HN     41 GLU  HG3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 602, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HN     42 GLN  QG      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 616, 617,
 &end
#
#  40 LEU  HA     40 LEU  QD1     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 584, 585, 586,
 &end
#
#  40 LEU  HA     40 LEU  QD2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 588, 589, 590,
 &end
#
#  40 LEU  HA     41 GLU  QG      6.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr2= 601, 602,
 &end
#
#  40 LEU  HA     42 GLN  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 609, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  40 LEU  HB2    42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HB2    42 GLN  HE21    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 621, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  40 LEU  HB2    42 GLN  HE22    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 622, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  40 LEU  HB3    42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HB3    42 GLN  HE21    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 621, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  40 LEU  HB3    42 GLN  HE22    7.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 622, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,  &end
#
#  40 LEU  QB     41 GLU  HN      5.08                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 579, 580,
 &end
#
#  40 LEU  QB     41 GLU  HA      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 579, 580,
 &end
#
#  40 LEU  QB     41 GLU  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
 igr1= 579, 580,
 igr2= 598, 599,
 &end
#
#  40 LEU  QB     42 GLN  HN      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 579, 580,
 &end
#
#  40 LEU  QB     42 GLN  QE2     6.81                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 579, 580,
 igr2= 621, 622,
 &end
#
#  40 LEU  HG     41 GLU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 594, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HG     42 GLN  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HG     42 GLN  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  40 LEU  HG     42 GLN  QB      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2= 613, 614,
 &end
#
#  40 LEU  QD1    42 GLN  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 584, 585, 586,
 &end
#
#  40 LEU  QD1    42 GLN  HE21   10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 584, 585, 586,
 &end
#
#  40 LEU  QD1    42 GLN  HE22   10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 622, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 584, 585, 586,
 &end
#
#  40 LEU  QD2    42 GLN  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 588, 589, 590,
 &end
#
#  40 LEU  QD2    42 GLN  HE21   10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 588, 589, 590,
 &end
#
#  40 LEU  QD2    42 GLN  HE22   10.14                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 622, r1= 1.30, r2= 1.80, r3=12.18, r4=12.68,
 igr1= 588, 589, 590,
 &end
#
#  40 LEU  QQD    41 GLU  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 594, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#  40 LEU  QQD    41 GLU  HA      8.37                
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 596, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,  &end
#
#  40 LEU  QQD    42 GLN  HA      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 611, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#  40 LEU  QQD    42 GLN  QE2     8.53                
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 9.57, r4=10.07,
 igr2= 621, 622,
 &end
#
#  40 LEU  QQD    43 ALA  HN      8.37                
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 626, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,  &end
#
#  41 GLU  HN     41 GLU  HG2     3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 601, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  41 GLU  HN     41 GLU  HG3     3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 602, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  41 GLU  HN     42 GLN  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 609, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  41 GLU  HA     41 GLU  HG2     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  41 GLU  HA     41 GLU  HG3     4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  41 GLU  HG2    42 GLN  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 609, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  41 GLU  HG3    42 GLN  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 609, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  41 GLU  QG     42 GLN  HN      5.13                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 601, 602,
 &end
#
#  42 GLN  HN     42 GLN  HG2     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 616, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  42 GLN  HN     42 GLN  HG3     4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 617, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  42 GLN  HN     42 GLN  QG      4.62                
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 616, 617,
 &end
#
#  42 GLN  HN     42 GLN  HE21    4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 621, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  42 GLN  HN     42 GLN  HE22    4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 622, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  42 GLN  HN     42 GLN  QE2     3.44                
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 621, 622,
 &end
#
#  42 GLN  HN     43 ALA  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 626, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  42 GLN  HN     43 ALA  QB      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 630, 631, 632,
 &end
#
#  42 GLN  HA     42 GLN  NE2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 621, 622,
 &end
#
#  42 GLN  HA     42 GLN  HE21    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  42 GLN  HA     42 GLN  HE22    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 622, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  42 GLN  HA     43 ALA  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  42 GLN  HA     43 ALA  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 628, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 GLN  HA     43 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 630, 631, 632,
 &end
#
#  42 GLN  HB2    42 GLN  HE21    5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 621, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  42 GLN  HB2    42 GLN  HE22    5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 622, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  42 GLN  HB2    43 ALA  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 626, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  42 GLN  HB2    44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 613,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#  42 GLN  HB2    44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 613,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#  42 GLN  HB3    42 GLN  HE21    5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 621, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  42 GLN  HB3    42 GLN  HE22    5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 622, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  42 GLN  HB3    43 ALA  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 626, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  42 GLN  HB3    44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#  42 GLN  HB3    44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#  42 GLN  QB     43 ALA  HA      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 613, 614,
 &end
#
#  42 GLN  QB     44 VAL  QQG     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 613, 614,
 &end
#
#  42 GLN  HG2    43 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  42 GLN  HG3    43 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  42 GLN  QG     44 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 616, 617,
 &end
#
#  42 GLN  HE21   44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#  42 GLN  HE21   44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#  42 GLN  HE22   44 VAL  QG1    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 642, 643, 644,
 &end
#
#  42 GLN  HE22   44 VAL  QG2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr2= 646, 647, 648,
 &end
#
#  42 GLN  QE2    44 VAL  QQG     8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 621, 622,
 &end
#
#  43 ALA  HN     44 VAL  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 636, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  43 ALA  HN     44 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 639, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  43 ALA  HA     44 VAL  HA      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 638, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  43 ALA  HA     44 VAL  QG1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 642, 643, 644,
 &end
#
#  43 ALA  HA     44 VAL  QG2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 646, 647, 648,
 &end
#
#  43 ALA  QB     44 VAL  HN      4.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 630, 631, 632,
 &end
#
#  43 ALA  QB     44 VAL  HA      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 630, 631, 632,
 &end
#
#  44 VAL  HN     44 VAL  HB      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 640, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  44 VAL  HN     45 VAL  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 652, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  44 VAL  HA     45 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 655, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  44 VAL  HA     47 TYR  QE      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 689, 694,
 &end
#
#  44 VAL  QQG    45 VAL  HA      4.96                
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 654, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  45 VAL  HN     45 VAL  QG1     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 658, 659, 660,
 &end
#
#  45 VAL  HN     45 VAL  QG2     4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 662, 663, 664,
 &end
#
#  45 VAL  HN     45 VAL  QQG     3.93                
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 655, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  45 VAL  HN     46 SER  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  45 VAL  HA     45 VAL  QG1     3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 658, 659, 660,
 &end
#
#  45 VAL  HA     45 VAL  QG2     3.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 662, 663, 664,
 &end
#
#  45 VAL  HA     46 SER  HA      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 670, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  45 VAL  HB     46 SER  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 668, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  45 VAL  HB     46 SER  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 672, 673,
 &end
#
#  45 VAL  QG1    46 SER  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 658, 659, 660,
 &end
#
#  45 VAL  QG1    46 SER  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 670, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 658, 659, 660,
 &end
#
#  45 VAL  QG1    47 TYR  HB2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 658, 659, 660,
 &end
#
#  45 VAL  QG1    47 TYR  HB3    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 658, 659, 660,
 &end
#
#  45 VAL  QG2    46 SER  HN      5.70                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 662, 663, 664,
 &end
#
#  45 VAL  QG2    46 SER  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 670, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 662, 663, 664,
 &end
#
#  45 VAL  QG2    47 TYR  HB2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 662, 663, 664,
 &end
#
#  45 VAL  QG2    47 TYR  HB3    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 684, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 662, 663, 664,
 &end
#
#  45 VAL  QQG    46 SER  HN      5.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 668, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  45 VAL  QQG    47 TYR  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 679, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  45 VAL  QQG    47 TYR  HA      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 681, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  45 VAL  QQG    47 TYR  QB      8.52                
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr2= 683, 684,
 &end
#
#  45 VAL  QQG    56 LEU  QB      9.36                
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr2= 821, 822,
 &end
#
#  45 VAL  QQG    56 LEU  QQD    11.13                
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 823, r1= 1.30, r2= 1.80, r3=11.13, r4=11.63,  &end
#
#  46 SER  HN     47 TYR  QB      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 683, 684,
 &end
#
#  46 SER  HN     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#  46 SER  HA     47 TYR  QD      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 687, 696,
 &end
#
#  46 SER  HB2    47 TYR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 679, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  46 SER  HB3    47 TYR  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 679, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  46 SER  QB     47 TYR  QE      8.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 672, 673,
 igr2= 689, 694,
 &end
#
#  47 TYR  HN     47 TYR  QE      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2= 689, 694,
 &end
#
#  47 TYR  HA     48 HIST QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 704, 705,
 &end
#
#  47 TYR  HB2    48 HIST HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 700, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  47 TYR  HB3    48 HIST HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 700, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  47 TYR  QB     48 HIST HN      4.32                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 683, 684,
 &end
#
#  47 TYR  QD     48 HIST HN      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 687, 696,
 &end
#
#  47 TYR  QD     48 HIST HA      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 687, 696,
 &end
#
#  47 TYR  QD     56 LEU  QD1     9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 687, 696,
 igr2= 826, 827, 828,
 &end
#
#  47 TYR  QD     56 LEU  QD2     9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 687, 696,
 igr2= 830, 831, 832,
 &end
#
#  47 TYR  QE     56 LEU  QD1     9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 689, 694,
 igr2= 826, 827, 828,
 &end
#
#  47 TYR  QE     56 LEU  QD2     9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 689, 694,
 igr2= 830, 831, 832,
 &end
#
#  48 HIST HN     48 HIST HD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  48 HIST HN     48 HIST HE1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  48 HIST HA     48 HIST HD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 713, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  48 HIST HA     48 HIST HE1     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  48 HIST HE1    57 THR  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 836, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HN     54 GLN  QB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 785, 786,
 &end
#
#  54 GLN  HN     54 GLN  HG2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 781, 788, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HN     54 GLN  HG3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 781, 789, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HN     54 GLN  QG      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 788, 789,
 &end
#
#  54 GLN  HN     55 ILE  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 781, 798, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  54 GLN  HA     54 GLN  HE21    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 793, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HA     54 GLN  HE22    6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 794, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  QB     56 LEU  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 785, 786,
 &end
#
#  54 GLN  HG2    55 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 798, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HG2    56 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HG3    55 ILE  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 798, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  54 GLN  HG3    56 LEU  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  55 ILE  HN     55 ILE  HB      2.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 802, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  55 ILE  HN     55 ILE  HG12    4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 808, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  55 ILE  HN     55 ILE  HG13    4.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 809, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  55 ILE  HN     55 ILE  QG1     3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 808, 809,
 &end
#
#  55 ILE  HN     55 ILE  QD1     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 811, 812, 813,
 &end
#
#  55 ILE  HN     56 LEU  HN      4.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 817, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  55 ILE  HN     56 LEU  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 826, 827, 828,
 &end
#
#  55 ILE  HN     56 LEU  QD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 830, 831, 832,
 &end
#
#  55 ILE  HN     57 THR  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  55 ILE  HA     56 LEU  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 817, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  55 ILE  HA     57 THR  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 836, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  55 ILE  HA     58 ASP  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 850, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  55 ILE  QG2    56 LEU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 804, 805, 806,
 &end
#
#  55 ILE  QG2    56 LEU  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 804, 805, 806,
 &end
#
#  55 ILE  QG2    58 ASP  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 804, 805, 806,
 &end
#
#  55 ILE  QG2    59 ALA  QB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 804, 805, 806,
 igr2= 866, 867, 868,
 &end
#
#  55 ILE  QG1    56 LEU  HN      5.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 808, 809,
 &end
#
#  55 ILE  QG1    57 THR  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 808, 809,
 &end
#
#  55 ILE  QG1    58 ASP  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 808, 809,
 &end
#
#  55 ILE  QD1    56 LEU  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 811, 812, 813,
 &end
#
#  55 ILE  QD1    56 LEU  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 811, 812, 813,
 &end
#
#  56 LEU  HN     56 LEU  HG      3.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 824, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  56 LEU  HN     56 LEU  QD1     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 826, 827, 828,
 &end
#
#  56 LEU  HN     56 LEU  QD2     5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 830, 831, 832,
 &end
#
#  56 LEU  HN     57 THR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 836, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  56 LEU  HN     59 ALA  HN      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 862, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  56 LEU  HA     56 LEU  QD1     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 826, 827, 828,
 &end
#
#  56 LEU  HA     56 LEU  QD2     5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 830, 831, 832,
 &end
#
#  56 LEU  HA     58 ASP  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 850, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  56 LEU  HA     59 ALA  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 862, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  56 LEU  QB     58 ASP  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 821, 822,
 &end
#
#  56 LEU  HG     67 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 987, 988, 989,
 &end
#
#  56 LEU  QQD    57 THR  HN      8.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 836, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,  &end
#
#  57 THR  HN     58 ASP  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 850, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  58 ASP  HN     59 ALA  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 862, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 ASP  HN     60 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  58 ASP  HA     61 GLU  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 888, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  58 ASP  HA     61 GLU  HB2     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 892, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  58 ASP  HA     61 GLU  HB3     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 893, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  58 ASP  HA     61 GLU  QB      4.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 892, 893,
 &end
#
#  58 ASP  HA     61 GLU  HG2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 895, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  58 ASP  HA     61 GLU  HG3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  58 ASP  HA     61 GLU  QG      5.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 895, 896,
 &end
#
#  58 ASP  HA     62 ARG  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 903, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  58 ASP  HB2    59 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 862, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  58 ASP  HB3    59 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 855, 862, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  58 ASP  QB     59 ALA  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 854, 855,
 &end
#
#  58 ASP  QB     59 ALA  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 854, 855,
 igr2= 866, 867, 868,
 &end
#
#  58 ASP  QB     60 VAL  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 854, 855,
 &end
#
#  58 ASP  QB     61 GLU  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 854, 855,
 &end
#
#  59 ALA  HN     60 VAL  HN      4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 872, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  59 ALA  HN     60 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 875, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  59 ALA  HN     62 ARG  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  59 ALA  HA     61 GLU  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 888, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  59 ALA  HA     62 ARG  HN      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 903, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  59 ALA  HA     62 ARG  HB2     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 907, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  59 ALA  HA     62 ARG  HB3     4.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 908, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  59 ALA  HA     62 ARG  QB      4.16                
 &rst
  ixpk= 0, nxpk= 0, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 907, 908,
 &end
#
#  59 ALA  HA     62 ARG  QD      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 913, 914,
 &end
#
#  59 ALA  HA     63 ALA  HN      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 927, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  59 ALA  QB     60 VAL  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 872, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 866, 867, 868,
 &end
#
#  59 ALA  QB     60 VAL  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 866, 867, 868,
 &end
#
#  59 ALA  QB     61 GLU  HN      5.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 866, 867, 868,
 &end
#
#  59 ALA  QB     62 ARG  HN      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 866, 867, 868,
 &end
#
#  59 ALA  QB     63 ALA  HN      6.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr1= 866, 867, 868,
 &end
#
#  60 VAL  HN     60 VAL  HB      4.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 876, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  60 VAL  HN     60 VAL  QQG     4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 875, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  60 VAL  HN     61 GLU  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 888, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  60 VAL  HN     62 ARG  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 VAL  HN     63 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 927, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 VAL  HA     62 ARG  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 VAL  HA     63 ALA  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 927, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  60 VAL  HA     63 ALA  QB      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 931, 932, 933,
 &end
#
#  60 VAL  HA     64 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 937, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 VAL  HA     65 TYR  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 944, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  60 VAL  HA     65 TYR  QB      5.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 948, 949,
 &end
#
#  60 VAL  HB     61 GLU  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 876, 888, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  60 VAL  HB     67 ALA  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 876, 983, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 VAL  HB     67 ALA  QB      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 987, 988, 989,
 &end
#
#  60 VAL  QG1    61 GLU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    61 GLU  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    63 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    65 TYR  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    65 TYR  HB2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    65 TYR  HB3    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    66 HIS+ HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    67 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    67 ALA  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG1    67 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 878, 879, 880,
 igr2= 987, 988, 989,
 &end
#
#  60 VAL  QG1    68 ARG  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 878, 879, 880,
 &end
#
#  60 VAL  QG2    61 GLU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    61 GLU  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    63 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    65 TYR  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    65 TYR  HB2    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    65 TYR  HB3    10.12                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 949, r1= 1.30, r2= 1.80, r3=12.15, r4=12.65,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    66 HIS+ HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    67 ALA  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    67 ALA  HA      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QG2    67 ALA  QB      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 882, 883, 884,
 igr2= 987, 988, 989,
 &end
#
#  60 VAL  QG2    68 ARG  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 882, 883, 884,
 &end
#
#  60 VAL  QQG    64 GLY  HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 937, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  60 VAL  QQG    65 TYR  QB      8.32                
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr2= 948, 949,
 &end
#
#  60 VAL  QQG    65 TYR  QE     10.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35,
 igr2= 954, 959,
 &end
#
#  60 VAL  QQG    66 HIS+ HN      8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 965, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  61 GLU  HN     61 GLU  HB2     3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 892, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  61 GLU  HN     61 GLU  HB3     3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 893, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  61 GLU  HN     61 GLU  HG2     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  61 GLU  HN     61 GLU  HG3     4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  61 GLU  HN     61 GLU  QG      4.31                
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 895, 896,
 &end
#
#  61 GLU  HN     62 ARG  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 903, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  61 GLU  HN     62 ARG  QB      5.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 907, 908,
 &end
#
#  61 GLU  HN     63 ALA  HN      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 927, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 GLU  HN     63 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 931, 932, 933,
 &end
#
#  61 GLU  HN     64 GLY  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  61 GLU  HN     66 HIS+ HA      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 967, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  61 GLU  HA     63 ALA  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 927, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  61 GLU  HA     63 ALA  QB      6.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 931, 932, 933,
 &end
#
#  61 GLU  HA     64 GLY  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 937, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  61 GLU  HA     64 GLY  QA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 939, 940,
 &end
#
#  61 GLU  HA     65 TYR  HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 944, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  61 GLU  HA     66 HIS+ QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 969, 970,
 &end
#
#  61 GLU  HB2    62 ARG  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 903, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  61 GLU  HB3    62 ARG  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 903, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  61 GLU  QB     62 ARG  HN      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 892, 893,
 &end
#
#  61 GLU  QB     62 ARG  HA      5.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 892, 893,
 &end
#
#  61 GLU  QB     63 ALA  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 892, 893,
 &end
#
#  61 GLU  QB     64 GLY  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 892, 893,
 &end
#
#  61 GLU  QB     65 TYR  HN      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 892, 893,
 &end
#
#  61 GLU  HG2    62 ARG  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 895, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  61 GLU  HG3    62 ARG  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  61 GLU  QG     65 TYR  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 895, 896,
 &end
#
#  61 GLU  QG     66 HIS+ HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 895, 896,
 &end
#
#  61 GLU  QG     66 HIS+ HA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 895, 896,
 &end
#
#  62 ARG  HN     62 ARG  HB2     3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 907, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  62 ARG  HN     62 ARG  HB3     3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 908, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  62 ARG  HN     62 ARG  QG      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 910, 911,
 &end
#
#  62 ARG  HN     62 ARG  HD2     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  62 ARG  HN     62 ARG  HD3     6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  62 ARG  HN     62 ARG  QD      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 913, 914,
 &end
#
#  62 ARG  HN     63 ALA  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 927, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  62 ARG  HN     63 ALA  QB      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 931, 932, 933,
 &end
#
#  62 ARG  HN     64 GLY  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 937, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  62 ARG  HA     62 ARG  HD2     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 913, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  62 ARG  HA     62 ARG  HD3     5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 914, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  62 ARG  HA     62 ARG  QD      4.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 913, 914,
 &end
#
#  62 ARG  HA     63 ALA  HA      4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 929, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  62 ARG  HA     64 GLY  HN      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 937, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  62 ARG  HB2    63 ALA  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 907, 927, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  62 ARG  HB3    63 ALA  HN      4.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 927, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  62 ARG  QB     63 ALA  HN      4.31                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 907, 908,
 &end
#
#  62 ARG  QB     63 ALA  HA      5.68                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 907, 908,
 &end
#
#  62 ARG  QB     64 GLY  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 907, 908,
 &end
#
#  62 ARG  QD     63 ALA  HN      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 913, 914,
 &end
#
#  62 ARG  QD     63 ALA  HA      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 913, 914,
 &end
#
#  63 ALA  HN     64 GLY  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 937, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  63 ALA  HN     64 GLY  HA1     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 939, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  63 ALA  HN     64 GLY  HA2     5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 940, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  63 ALA  HA     65 TYR  HN      4.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 929, 944, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  63 ALA  QB     64 GLY  QA      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 931, 932, 933,
 igr2= 939, 940,
 &end
#
#  63 ALA  QB     65 TYR  HN      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 931, 932, 933,
 &end
#
#  63 ALA  QB     65 TYR  QB      7.88                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.62, r4=11.12,
 igr1= 931, 932, 933,
 igr2= 948, 949,
 &end
#
#  63 ALA  QB     65 TYR  QD      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 931, 932, 933,
 igr2= 952, 961,
 &end
#
#  63 ALA  QB     65 TYR  QE      9.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
 igr1= 931, 932, 933,
 igr2= 954, 959,
 &end
#
#  64 GLY  HN     65 TYR  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 944, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  64 GLY  HN     65 TYR  HA      4.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 946, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  64 GLY  QA     65 TYR  HA      6.18                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 939, 940,
 &end
#
#  64 GLY  QA     66 HIS+ HN      6.78                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 939, 940,
 &end
#
#  65 TYR  HN     65 TYR  QE      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2= 954, 959,
 &end
#
#  65 TYR  HN     66 HIS+ HN      5.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 965, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  65 TYR  HN     66 HIS+ HA      5.40                
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 967, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  65 TYR  HA     65 TYR  QE      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 954, 959,
 &end
#
#  65 TYR  HA     66 HIS+ QB      5.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 969, 970,
 &end
#
#  65 TYR  HB2    66 HIS+ HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 965, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  65 TYR  HB3    66 HIS+ HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 965, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  65 TYR  QB     66 HIS+ HN      3.55                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 948, 949,
 &end
#
#  65 TYR  QE     66 HIS+ HN      8.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 954, 959,
 &end
#
#  66 HIS+ HN     67 ALA  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 965, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  66 HIS+ HA     67 ALA  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 967, 983, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  66 HIS+ HA     67 ALA  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 967, 985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  66 HIS+ HA     67 ALA  QB      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 987, 988, 989,
 &end
#
#  66 HIS+ HB2    67 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 983, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  66 HIS+ HB3    67 ALA  HN      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 970, 983, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  67 ALA  HN     68 ARG  HN      5.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 993, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  67 ALA  HA     68 ARG  HN      3.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 985, 993, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  67 ALA  HA     68 ARG  QB      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 997, 998,
 &end
#
#  67 ALA  HA     68 ARG  QG      6.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2=1000,1001,
 &end
#
#  67 ALA  QB     68 ARG  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 987, 988, 989,
 &end
#
#  68 ARG  HN     68 ARG  HG2     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1000, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  68 ARG  HN     68 ARG  HG3     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1001, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  68 ARG  HN     68 ARG  QG      4.42                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1000,1001,
 &end
#
#  68 ARG  HN     68 ARG  QD      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1003,1004,
 &end
#
#  68 ARG  HN     69 VAL  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  68 ARG  HA     68 ARG  QD      6.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr2=1003,1004,
 &end
#
#  68 ARG  HA     69 VAL  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 995,1017, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  68 ARG  HA     69 VAL  QQG     8.56                
 &rst
  ixpk= 0, nxpk= 0, iat= 995,1020, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,  &end
#
#  68 ARG  HB2    69 VAL  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1017, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  68 ARG  HB2    69 VAL  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1019, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  68 ARG  HB3    69 VAL  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1017, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  68 ARG  HB3    69 VAL  HA      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1019, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  68 ARG  HG2    69 VAL  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  68 ARG  HG3    69 VAL  HN      6.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1001,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  68 ARG  QD     69 VAL  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1003,1004,
 &end
#
#  69 VAL  HN     69 VAL  HB      3.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1021, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  69 VAL  HN     69 VAL  QG1     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1023,1024,1025,
 &end
#
#  69 VAL  HN     69 VAL  QG2     4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1027,1028,1029,
 &end
#
#  69 VAL  HN     70 LEU  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  69 VAL  HA     70 LEU  HN      3.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  69 VAL  HA     70 LEU  HB2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  69 VAL  HA     70 LEU  HB3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat=1019,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  69 VAL  HA     70 LEU  QB      5.28                
 &rst
  ixpk= 0, nxpk= 0, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1037,1038,
 &end
#
#  69 VAL  HB     70 LEU  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1033, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  69 VAL  HB     70 LEU  HA      5.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1035, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 VAL  QG1    70 LEU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1023,1024,1025,
 &end
#
#  69 VAL  QG2    70 LEU  HN      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1027,1028,1029,
 &end
#
#  69 VAL  QQG    70 LEU  HA      5.86                
 &rst
  ixpk= 0, nxpk= 0, iat=1020,1035, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  70 LEU  HN     70 LEU  QB      3.76                
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1037,1038,
 &end
#
#  70 LEU  HN     70 LEU  HG      2.70                
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1040, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  70 LEU  HN     70 LEU  QD1     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1042,1043,1044,
 &end
#
#  70 LEU  HN     70 LEU  QD2     7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1046,1047,1048,
 &end
#
#  70 LEU  HN     70 LEU  QQD     5.92                
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1039, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  70 LEU  HA     70 LEU  HG      4.10                
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1040, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  70 LEU  HA     70 LEU  QD1     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1042,1043,1044,
 &end
#
#  70 LEU  HA     70 LEU  QD2     5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr2=1046,1047,1048,
 &end
#
#  80 THR  HA     80 THR  HB      2.40                
 &rst
  ixpk= 0, nxpk= 0, iat=1201,1203, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  81 GLU  HN     81 GLU  QG      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=1220,1221,
 &end
#
#  83 ARG  HN     83 ARG  QG      5.80                
 &rst
  ixpk= 0, nxpk= 0, iat=1240,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1247,1248,
 &end
#
#  83 ARG  HN     83 ARG  QD      7.00                
 &rst
  ixpk= 0, nxpk= 0, iat=1240,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1250,1251,
 &end
#
#  83 ARG  HA     83 ARG  QD      6.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
 igr2=1250,1251,
 &end
#
#  84 LYS  HN     84 LYS  QG      5.90                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=1271,1272,
 &end
#
#  84 LYS  HN     84 LYS  QD      6.60                
 &rst
  ixpk= 0, nxpk= 0, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1274,1275,
 &end
#
#  84 LYS  HA     84 LYS  QD      6.30                
 &rst
  ixpk= 0, nxpk= 0, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2=1274,1275,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1  -9.840  -9.074  -8.433
    2   2H    MET   1          2H        MET   1 -10.097  -9.401  -6.853
    3   3H    MET   1          3H        MET   1 -11.251  -9.795  -7.934
    4    HA   MET   1           HA       MET   1 -10.092 -11.770  -7.295
    5   1HB   MET   1          1HB       MET   1  -9.318 -10.809 -10.094
    6   2HB   MET   1          2HB       MET   1  -9.114 -12.467  -9.533
    7   1HG   MET   1          1HG       MET   1 -11.750 -10.974  -9.721
    8   2HG   MET   1          2HG       MET   1 -11.185 -12.239 -10.810
    9   1HE   MET   1          1HE       MET   1 -11.527 -15.509  -8.792
   10   2HE   MET   1          2HE       MET   1 -11.311 -14.759 -10.386
   11   3HE   MET   1          3HE       MET   1 -10.043 -14.603  -9.147
   12    H    ALA   2           H        ALA   2  -7.761 -12.926  -7.918
   13    HA   ALA   2           HA       ALA   2  -5.639 -11.538  -6.513
   14   1HB   ALA   2          1HB       ALA   2  -5.747 -13.993  -6.643
   15   2HB   ALA   2          2HB       ALA   2  -5.631 -13.925  -8.423
   16   3HB   ALA   2          3HB       ALA   2  -4.272 -13.393  -7.419
   17    H    GLN   3           H        GLN   3  -5.001  -9.606  -7.310
   18    HA   GLN   3           HA       GLN   3  -3.927  -9.366 -10.024
   19   1HB   GLN   3          1HB       GLN   3  -5.369  -7.612 -10.796
   20   2HB   GLN   3          2HB       GLN   3  -6.315  -9.041 -10.426
   21   1HG   GLN   3          1HG       GLN   3  -6.710  -7.778  -8.103
   22   2HG   GLN   3          2HG       GLN   3  -6.278  -6.360  -9.048
   23   1HE2  GLN   3          1HE2      GLN   3  -8.131  -5.289  -9.900
   24   2HE2  GLN   3          2HE2      GLN   3  -9.576  -6.160 -10.351
   25    H    THR   4           H        THR   4  -1.943  -8.922  -9.102
   26    HA   THR   4           HA       THR   4  -1.904  -7.094  -6.799
   27    HB   THR   4           HB       THR   4  -0.868  -9.269  -6.502
   28    HG1  THR   4           HG1      THR   4   1.256  -8.225  -5.944
   29   1HG2  THR   4          1HG2      THR   4   1.298  -8.369  -8.469
   30   2HG2  THR   4          2HG2      THR   4   1.261  -9.858  -7.505
   31   3HG2  THR   4          3HG2      THR   4   0.091  -9.628  -8.813
   32    H    ILE   5           H        ILE   5  -1.332  -5.176  -6.784
   33    HA   ILE   5           HA       ILE   5  -0.217  -3.832  -9.190
   34    HB   ILE   5           HB       ILE   5  -1.124  -2.628  -6.537
   35   1HG1  ILE   5          1HG1      ILE   5  -3.093  -3.673  -7.427
   36   2HG1  ILE   5          2HG1      ILE   5  -3.221  -1.937  -7.628
   37   1HG2  ILE   5          1HG2      ILE   5   0.366  -1.169  -7.766
   38   2HG2  ILE   5          2HG2      ILE   5  -0.571  -1.368  -9.259
   39   3HG2  ILE   5          3HG2      ILE   5  -1.271  -0.520  -7.862
   40   1HD1  ILE   5          1HD1      ILE   5  -2.537  -3.941  -9.831
   41   2HD1  ILE   5          2HD1      ILE   5  -4.084  -3.115  -9.591
   42   3HD1  ILE   5          3HD1      ILE   5  -2.653  -2.177 -10.047
   43    H    ASN   6           H        ASN   6   1.889  -3.367  -9.266
   44    HA   ASN   6           HA       ASN   6   3.486  -3.238  -6.765
   45   1HB   ASN   6          1HB       ASN   6   5.449  -3.971  -8.013
   46   2HB   ASN   6          2HB       ASN   6   4.200  -5.214  -7.989
   47   1HD2  ASN   6          1HD2      ASN   6   2.795  -5.394 -10.010
   48   2HD2  ASN   6          2HD2      ASN   6   3.577  -4.979 -11.533
   49    H    LEU   7           H        LEU   7   4.367  -1.322  -6.400
   50    HA   LEU   7           HA       LEU   7   4.700   0.717  -8.474
   51   1HB   LEU   7          1HB       LEU   7   2.823   1.939  -8.116
   52   2HB   LEU   7          2HB       LEU   7   2.167   0.372  -7.851
   53    HG   LEU   7           HG       LEU   7   2.969   2.328  -5.637
   54   1HD1  LEU   7          1HD1      LEU   7   0.998   3.032  -6.913
   55   2HD1  LEU   7          2HD1      LEU   7   0.254   1.430  -6.703
   56   3HD1  LEU   7          3HD1      LEU   7   0.527   2.471  -5.293
   57   1HD2  LEU   7          1HD2      LEU   7   1.588  -0.405  -5.483
   58   2HD2  LEU   7          2HD2      LEU   7   3.195  -0.007  -4.843
   59   3HD2  LEU   7          3HD2      LEU   7   1.759   0.740  -4.134
   60    H    GLN   8           H        GLN   8   5.111   2.918  -7.327
   61    HA   GLN   8           HA       GLN   8   6.989   2.510  -5.075
   62   1HB   GLN   8          1HB       GLN   8   7.229   4.130  -7.558
   63   2HB   GLN   8          2HB       GLN   8   7.774   4.899  -6.056
   64   1HG   GLN   8          1HG       GLN   8   9.234   3.029  -5.535
   65   2HG   GLN   8          2HG       GLN   8   8.649   2.107  -6.908
   66   1HE2  GLN   8          1HE2      GLN   8  10.880   4.703  -5.884
   67   2HE2  GLN   8          2HE2      GLN   8  11.662   4.686  -7.454
   68    H    LEU   9           H        LEU   9   7.167   3.910  -3.467
   69    HA   LEU   9           HA       LEU   9   4.501   5.032  -2.771
   70   1HB   LEU   9          1HB       LEU   9   5.276   2.742  -2.019
   71   2HB   LEU   9          2HB       LEU   9   6.457   3.530  -0.987
   72    HG   LEU   9           HG       LEU   9   3.510   4.263  -0.826
   73   1HD1  LEU   9          1HD1      LEU   9   3.589   1.824  -0.740
   74   2HD1  LEU   9          2HD1      LEU   9   4.875   1.881   0.491
   75   3HD1  LEU   9          3HD1      LEU   9   3.240   2.459   0.865
   76   1HD2  LEU   9          1HD2      LEU   9   5.091   5.650   0.487
   77   2HD2  LEU   9          2HD2      LEU   9   4.033   4.706   1.544
   78   3HD2  LEU   9          3HD2      LEU   9   5.715   4.192   1.287
   79    H    GLU  10           H        GLU  10   4.591   7.091  -2.603
   80    HA   GLU  10           HA       GLU  10   7.160   8.451  -2.564
   81   1HB   GLU  10          1HB       GLU  10   5.545   8.484  -4.408
   82   2HB   GLU  10          2HB       GLU  10   4.331   9.229  -3.373
   83   1HG   GLU  10          1HG       GLU  10   5.526  11.301  -3.280
   84   2HG   GLU  10          2HG       GLU  10   6.989  10.563  -3.978
   85    H    GLY  11           H        GLY  11   7.686  10.273  -1.364
   86   1HA   GLY  11          1HA       GLY  11   7.573  11.815   0.411
   87   2HA   GLY  11          2HA       GLY  11   5.928  11.247   0.798
   88    H    MET  12           H        MET  12   7.127   8.380   0.714
   89    HA   MET  12           HA       MET  12   7.409   7.836   3.372
   90   1HB   MET  12          1HB       MET  12   8.019   5.709   2.825
   91   2HB   MET  12          2HB       MET  12   7.251   6.265   1.354
   92   1HG   MET  12          1HG       MET  12   9.120   5.131   0.585
   93   2HG   MET  12          2HG       MET  12   9.645   6.805   0.509
   94   1HE   MET  12          1HE       MET  12  12.988   4.969   1.452
   95   2HE   MET  12          2HE       MET  12  11.713   4.288   0.419
   96   3HE   MET  12          3HE       MET  12  12.136   6.013   0.291
   97    H    ARG  13           H        ARG  13   8.871   7.905   4.972
   98    HA   ARG  13           HA       ARG  13  11.702   8.199   4.589
   99   1HB   ARG  13          1HB       ARG  13  10.092  10.689   4.687
  100   2HB   ARG  13          2HB       ARG  13  11.364  10.670   5.881
  101   1HG   ARG  13          1HG       ARG  13  12.967  11.079   4.387
  102   2HG   ARG  13          2HG       ARG  13  12.481   9.741   3.357
  103   1HD   ARG  13          1HD       ARG  13  10.631  11.236   2.427
  104   2HD   ARG  13          2HD       ARG  13  11.334  12.557   3.355
  105    HE   ARG  13           HE       ARG  13  13.064  12.722   1.834
  106   1HH1  ARG  13          1HH1      ARG  13  11.465   9.602   1.207
  107   2HH1  ARG  13          2HH1      ARG  13  12.207   9.430  -0.350
  108   1HH2  ARG  13          1HH2      ARG  13  14.025  12.404  -0.179
  109   2HH2  ARG  13          2HH2      ARG  13  13.650  10.978  -1.100
  110    H    CYS  14           H        CYS  14   9.053   8.101   6.966
  111    HA   CYS  14           HA       CYS  14  10.953   7.016   8.873
  112   1HB   CYS  14          1HB       CYS  14  11.088   9.686   8.901
  113   2HB   CYS  14          2HB       CYS  14   9.619   9.544   9.878
  114    HG   CYS  14           HG       CYS  14  12.646   8.242  10.248
  115    H    ALA  15           H        ALA  15   9.960   6.889  11.091
  116    HA   ALA  15           HA       ALA  15   8.532   5.985  12.582
  117   1HB   ALA  15          1HB       ALA  15   6.396   7.371  10.904
  118   2HB   ALA  15          2HB       ALA  15   6.272   6.925  12.618
  119   3HB   ALA  15          3HB       ALA  15   7.426   8.160  12.112
  120    H    ALA  16           H        ALA  16   6.138   4.836  12.707
  121    HA   ALA  16           HA       ALA  16   6.476   2.258  11.449
  122   1HB   ALA  16          1HB       ALA  16   5.534   2.564  13.714
  123   2HB   ALA  16          2HB       ALA  16   4.154   3.462  13.037
  124   3HB   ALA  16          3HB       ALA  16   4.377   1.741  12.656
  125    H    CYS  17           H        CYS  17   5.176   5.129  10.170
  126    HA   CYS  17           HA       CYS  17   2.873   4.560   8.851
  127   1HB   CYS  17          1HB       CYS  17   5.250   6.308   8.064
  128   2HB   CYS  17          2HB       CYS  17   3.644   6.408   7.324
  129    HG   CYS  17           HG       CYS  17   3.500   8.319   8.839
  130    H    ALA  18           H        ALA  18   5.859   2.975   7.950
  131    HA   ALA  18           HA       ALA  18   5.012   2.450   5.183
  132   1HB   ALA  18          1HB       ALA  18   7.377   2.563   5.697
  133   2HB   ALA  18          2HB       ALA  18   7.247   1.288   6.924
  134   3HB   ALA  18          3HB       ALA  18   6.968   0.914   5.205
  135    H    SER  19           H        SER  19   5.763  -0.043   7.652
  136    HA   SER  19           HA       SER  19   3.928  -1.866   6.455
  137   1HB   SER  19          1HB       SER  19   5.961  -2.430   7.839
  138   2HB   SER  19          2HB       SER  19   4.983  -2.106   9.287
  139    HG   SER  19           HG       SER  19   4.384  -3.968   7.185
  140    H    SER  20           H        SER  20   3.197   0.610   8.804
  141    HA   SER  20           HA       SER  20   0.672  -0.450   9.721
  142   1HB   SER  20          1HB       SER  20   2.058   1.527  10.584
  143   2HB   SER  20          2HB       SER  20   1.282   2.487   9.310
  144    HG   SER  20           HG       SER  20   0.339   2.320  11.543
  145    H    ILE  21           H        ILE  21   1.605   0.698   6.584
  146    HA   ILE  21           HA       ILE  21  -1.088   1.056   5.448
  147    HB   ILE  21           HB       ILE  21   1.622   0.420   4.206
  148   1HG1  ILE  21          1HG1      ILE  21   0.034   3.012   4.097
  149   2HG1  ILE  21          2HG1      ILE  21   1.255   2.707   5.318
  150   1HG2  ILE  21          1HG2      ILE  21   0.509   1.053   2.029
  151   2HG2  ILE  21          2HG2      ILE  21   0.066  -0.500   2.711
  152   3HG2  ILE  21          3HG2      ILE  21  -1.043   0.872   2.869
  153   1HD1  ILE  21          1HD1      ILE  21   2.935   2.368   3.460
  154   2HD1  ILE  21          2HD1      ILE  21   1.668   2.932   2.335
  155   3HD1  ILE  21          3HD1      ILE  21   2.267   4.006   3.601
  156    H    GLU  22           H        GLU  22   1.302  -1.621   5.223
  157    HA   GLU  22           HA       GLU  22  -0.345  -3.539   4.043
  158   1HB   GLU  22          1HB       GLU  22   1.801  -4.034   6.139
  159   2HB   GLU  22          2HB       GLU  22   1.221  -5.199   4.956
  160   1HG   GLU  22          1HG       GLU  22   2.197  -3.952   3.119
  161   2HG   GLU  22          2HG       GLU  22   2.633  -2.603   4.183
  162    H    ARG  23           H        ARG  23   0.219  -2.987   7.532
  163    HA   ARG  23           HA       ARG  23  -1.564  -5.018   8.434
  164   1HB   ARG  23          1HB       ARG  23   0.416  -3.732   9.643
  165   2HB   ARG  23          2HB       ARG  23  -0.835  -2.566  10.071
  166   1HG   ARG  23          1HG       ARG  23  -0.755  -4.063  11.902
  167   2HG   ARG  23          2HG       ARG  23  -2.172  -4.592  10.989
  168   1HD   ARG  23          1HD       ARG  23  -0.639  -6.297   9.824
  169   2HD   ARG  23          2HD       ARG  23   0.649  -5.812  10.914
  170    HE   ARG  23           HE       ARG  23  -1.497  -7.635  11.418
  171   1HH1  ARG  23          1HH1      ARG  23   0.389  -5.239  13.222
  172   2HH1  ARG  23          2HH1      ARG  23   0.301  -6.159  14.695
  173   1HH2  ARG  23          1HH2      ARG  23  -1.496  -8.786  13.350
  174   2HH2  ARG  23          2HH2      ARG  23  -0.734  -8.114  14.755
  175    H    ALA  24           H        ALA  24  -2.280  -1.791   7.297
  176    HA   ALA  24           HA       ALA  24  -4.973  -1.877   8.505
  177   1HB   ALA  24          1HB       ALA  24  -3.893   0.327   8.319
  178   2HB   ALA  24          2HB       ALA  24  -3.693   0.112   6.565
  179   3HB   ALA  24          3HB       ALA  24  -5.316   0.257   7.261
  180    H    ILE  25           H        ILE  25  -3.358  -2.278   5.319
  181    HA   ILE  25           HA       ILE  25  -5.740  -2.717   3.765
  182    HB   ILE  25           HB       ILE  25  -2.839  -3.534   3.320
  183   1HG1  ILE  25          1HG1      ILE  25  -4.538  -1.367   1.992
  184   2HG1  ILE  25          2HG1      ILE  25  -3.430  -1.065   3.328
  185   1HG2  ILE  25          1HG2      ILE  25  -5.280  -3.827   1.508
  186   2HG2  ILE  25          2HG2      ILE  25  -3.616  -3.903   0.920
  187   3HG2  ILE  25          3HG2      ILE  25  -4.170  -5.105   2.052
  188   1HD1  ILE  25          1HD1      ILE  25  -1.537  -1.921   1.933
  189   2HD1  ILE  25          2HD1      ILE  25  -2.639  -2.019   0.549
  190   3HD1  ILE  25          3HD1      ILE  25  -2.318  -0.455   1.292
  191    H    ALA  26           H        ALA  26  -3.790  -4.856   5.738
  192    HA   ALA  26           HA       ALA  26  -4.865  -7.354   5.137
  193   1HB   ALA  26          1HB       ALA  26  -4.208  -6.206   7.883
  194   2HB   ALA  26          2HB       ALA  26  -4.311  -7.934   7.458
  195   3HB   ALA  26          3HB       ALA  26  -3.050  -6.923   6.732
  196    H    LYS  27           H        LYS  27  -6.821  -4.710   6.279
  197    HA   LYS  27           HA       LYS  27  -9.039  -6.537   7.065
  198   1HB   LYS  27          1HB       LYS  27  -8.644  -3.511   7.120
  199   2HB   LYS  27          2HB       LYS  27 -10.168  -4.299   7.485
  200   1HG   LYS  27          1HG       LYS  27  -9.091  -3.728   9.483
  201   2HG   LYS  27          2HG       LYS  27  -9.205  -5.485   9.384
  202   1HD   LYS  27          1HD       LYS  27  -6.811  -5.653   8.922
  203   2HD   LYS  27          2HD       LYS  27  -6.661  -3.894   8.798
  204   1HE   LYS  27          1HE       LYS  27  -7.426  -5.493  11.276
  205   2HE   LYS  27          2HE       LYS  27  -5.826  -4.802  10.938
  206   1HZ   LYS  27          1HZ       LYS  27  -7.188  -3.394  12.412
  207   2HZ   LYS  27          2HZ       LYS  27  -8.305  -3.207  11.224
  208   3HZ   LYS  27          3HZ       LYS  27  -6.787  -2.612  11.012
  209    H    VAL  28           H        VAL  28  -7.895  -5.206   4.143
  210    HA   VAL  28           HA       VAL  28 -10.476  -4.500   2.949
  211    HB   VAL  28           HB       VAL  28  -7.732  -4.998   1.691
  212   1HG1  VAL  28          1HG1      VAL  28  -8.619  -3.857  -0.314
  213   2HG1  VAL  28          2HG1      VAL  28  -9.454  -5.382  -0.018
  214   3HG1  VAL  28          3HG1      VAL  28 -10.238  -3.840   0.401
  215   1HG2  VAL  28          1HG2      VAL  28  -7.863  -2.975   3.177
  216   2HG2  VAL  28          2HG2      VAL  28  -7.630  -2.544   1.478
  217   3HG2  VAL  28          3HG2      VAL  28  -9.236  -2.392   2.225
  218    HA   PRO  29           HA       PRO  29 -11.588  -8.683   2.600
  219   1HB   PRO  29          1HB       PRO  29 -13.619  -8.652   0.693
  220   2HB   PRO  29          2HB       PRO  29 -13.793  -8.108   2.389
  221   1HG   PRO  29          1HG       PRO  29 -13.206  -6.422  -0.064
  222   2HG   PRO  29          2HG       PRO  29 -14.417  -6.122   1.226
  223   1HD   PRO  29          1HD       PRO  29 -12.020  -4.886   1.281
  224   2HD   PRO  29          2HD       PRO  29 -12.725  -5.524   2.795
  225    H    GLY  30           H        GLY  30 -10.572  -7.019  -0.338
  226   1HA   GLY  30          1HA       GLY  30 -10.078  -9.511  -1.830
  227   2HA   GLY  30          2HA       GLY  30  -9.755  -7.838  -2.337
  228    H    VAL  31           H        VAL  31  -8.348  -8.326   0.699
  229    HA   VAL  31           HA       VAL  31  -5.631  -8.075  -0.353
  230    HB   VAL  31           HB       VAL  31  -6.415  -7.161   1.823
  231   1HG1  VAL  31          1HG1      VAL  31  -5.885  -9.905   3.029
  232   2HG1  VAL  31          2HG1      VAL  31  -6.470  -8.436   3.827
  233   3HG1  VAL  31          3HG1      VAL  31  -7.523  -9.316   2.707
  234   1HG2  VAL  31          1HG2      VAL  31  -4.050  -7.338   1.127
  235   2HG2  VAL  31          2HG2      VAL  31  -4.233  -7.508   2.882
  236   3HG2  VAL  31          3HG2      VAL  31  -3.939  -8.941   1.877
  237    H    GLN  32           H        GLN  32  -4.468  -9.640  -1.150
  238    HA   GLN  32           HA       GLN  32  -4.660 -12.390   0.055
  239   1HB   GLN  32          1HB       GLN  32  -4.569 -13.476  -2.097
  240   2HB   GLN  32          2HB       GLN  32  -5.931 -12.378  -2.018
  241   1HG   GLN  32          1HG       GLN  32  -5.246 -11.702  -4.053
  242   2HG   GLN  32          2HG       GLN  32  -4.149 -10.695  -3.131
  243   1HE2  GLN  32          1HE2      GLN  32  -2.296 -13.105  -2.460
  244   2HE2  GLN  32          2HE2      GLN  32  -1.455 -13.254  -3.998
  245    H    SER  33           H        SER  33  -2.504  -9.818  -0.853
  246    HA   SER  33           HA       SER  33  -0.425 -11.066   0.624
  247   1HB   SER  33          1HB       SER  33  -0.158 -11.124  -2.405
  248   2HB   SER  33          2HB       SER  33   1.263 -10.934  -1.368
  249    HG   SER  33           HG       SER  33  -0.608 -13.009  -0.933
  250    H    CYS  34           H        CYS  34   0.724  -9.403   1.485
  251    HA   CYS  34           HA       CYS  34   0.927  -6.803   0.033
  252   1HB   CYS  34          1HB       CYS  34   0.866  -7.300   3.060
  253   2HB   CYS  34          2HB       CYS  34   0.921  -5.732   2.258
  254    HG   CYS  34           HG       CYS  34  -1.452  -6.204   3.415
  255    H    GLN  35           H        GLN  35   3.054  -6.090  -0.183
  256    HA   GLN  35           HA       GLN  35   4.999  -6.604   1.917
  257   1HB   GLN  35          1HB       GLN  35   5.474  -7.524  -0.953
  258   2HB   GLN  35          2HB       GLN  35   6.782  -7.017   0.087
  259   1HG   GLN  35          1HG       GLN  35   6.983  -9.096   0.729
  260   2HG   GLN  35          2HG       GLN  35   5.543  -8.896   1.698
  261   1HE2  GLN  35          1HE2      GLN  35   3.541  -9.879   0.865
  262   2HE2  GLN  35          2HE2      GLN  35   3.656 -11.083  -0.448
  263    H    VAL  36           H        VAL  36   5.912  -4.677   2.325
  264    HA   VAL  36           HA       VAL  36   6.422  -2.709   0.156
  265    HB   VAL  36           HB       VAL  36   4.747  -2.078   1.974
  266   1HG1  VAL  36          1HG1      VAL  36   6.152  -2.984   3.934
  267   2HG1  VAL  36          2HG1      VAL  36   7.184  -1.562   3.732
  268   3HG1  VAL  36          3HG1      VAL  36   5.469  -1.360   4.130
  269   1HG2  VAL  36          1HG2      VAL  36   5.848  -0.404   0.523
  270   2HG2  VAL  36          2HG2      VAL  36   5.526   0.219   2.149
  271   3HG2  VAL  36          3HG2      VAL  36   7.173  -0.254   1.692
  272    H    ASN  37           H        ASN  37   8.397  -1.740   0.010
  273    HA   ASN  37           HA       ASN  37  10.622  -2.877   1.670
  274   1HB   ASN  37          1HB       ASN  37  10.540  -3.573  -0.686
  275   2HB   ASN  37          2HB       ASN  37  10.649  -1.887  -1.204
  276   1HD2  ASN  37          1HD2      ASN  37  12.476  -4.086  -1.781
  277   2HD2  ASN  37          2HD2      ASN  37  14.044  -3.655  -1.071
  278    H    PHE  38           H        PHE  38  10.587  -1.335   3.283
  279    HA   PHE  38           HA       PHE  38  10.542   1.481   2.730
  280   1HB   PHE  38          1HB       PHE  38   9.549   0.186   4.703
  281   2HB   PHE  38          2HB       PHE  38  11.179   0.091   5.349
  282    HD1  PHE  38           HD1      PHE  38  10.525   1.157   7.407
  283    HD2  PHE  38           HD2      PHE  38   9.861   3.200   3.661
  284    HE1  PHE  38           HE1      PHE  38   9.913   3.231   8.627
  285    HE2  PHE  38           HE2      PHE  38   9.289   5.249   4.875
  286    HZ   PHE  38           HZ       PHE  38   9.294   5.272   7.366
  287    H    ALA  39           H        ALA  39  12.605   0.476   1.328
  288    HA   ALA  39           HA       ALA  39  14.839   2.171   2.140
  289   1HB   ALA  39          1HB       ALA  39  16.512   0.363   1.871
  290   2HB   ALA  39          2HB       ALA  39  15.415   0.023   3.222
  291   3HB   ALA  39          3HB       ALA  39  15.212  -0.832   1.678
  292    H    LEU  40           H        LEU  40  13.359  -0.029  -0.361
  293    HA   LEU  40           HA       LEU  40  14.524   1.698  -2.461
  294   1HB   LEU  40          1HB       LEU  40  15.546  -0.378  -2.557
  295   2HB   LEU  40          2HB       LEU  40  14.140  -1.233  -1.970
  296    HG   LEU  40           HG       LEU  40  13.027  -0.970  -4.051
  297   1HD1  LEU  40          1HD1      LEU  40  14.368   1.018  -4.997
  298   2HD1  LEU  40          2HD1      LEU  40  15.752  -0.065  -5.163
  299   3HD1  LEU  40          3HD1      LEU  40  14.285  -0.345  -6.125
  300   1HD2  LEU  40          1HD2      LEU  40  15.719  -2.377  -4.180
  301   2HD2  LEU  40          2HD2      LEU  40  14.193  -3.040  -3.558
  302   3HD2  LEU  40          3HD2      LEU  40  14.362  -2.691  -5.283
  303    H    GLU  41           H        GLU  41  11.847   1.790  -0.852
  304    HA   GLU  41           HA       GLU  41   9.971   2.997  -1.173
  305   1HB   GLU  41          1HB       GLU  41  11.173   3.527  -3.923
  306   2HB   GLU  41          2HB       GLU  41   9.637   4.190  -3.398
  307   1HG   GLU  41          1HG       GLU  41  10.721   5.249  -1.461
  308   2HG   GLU  41          2HG       GLU  41  12.305   4.769  -2.120
  309    H    GLN  42           H        GLN  42  10.246   0.087  -2.993
  310    HA   GLN  42           HA       GLN  42   7.684   0.503  -4.291
  311   1HB   GLN  42          1HB       GLN  42   7.623  -1.668  -5.054
  312   2HB   GLN  42          2HB       GLN  42   9.211  -1.061  -5.320
  313   1HG   GLN  42          1HG       GLN  42   8.767  -2.714  -2.746
  314   2HG   GLN  42          2HG       GLN  42   8.433  -3.535  -4.228
  315   1HE2  GLN  42          1HE2      GLN  42  10.810  -1.942  -5.646
  316   2HE2  GLN  42          2HE2      GLN  42  12.157  -2.912  -5.034
  317    H    ALA  43           H        ALA  43   5.732  -0.381  -3.938
  318    HA   ALA  43           HA       ALA  43   5.513  -2.373  -1.740
  319   1HB   ALA  43          1HB       ALA  43   4.153  -0.468  -0.991
  320   2HB   ALA  43          2HB       ALA  43   3.278  -0.450  -2.534
  321   3HB   ALA  43          3HB       ALA  43   3.120  -1.832  -1.430
  322    H    VAL  44           H        VAL  44   4.374  -4.212  -2.244
  323    HA   VAL  44           HA       VAL  44   3.035  -4.306  -4.860
  324    HB   VAL  44           HB       VAL  44   5.015  -5.562  -5.269
  325   1HG1  VAL  44          1HG1      VAL  44   5.653  -6.229  -2.970
  326   2HG1  VAL  44          2HG1      VAL  44   4.340  -7.435  -2.972
  327   3HG1  VAL  44          3HG1      VAL  44   5.687  -7.578  -4.111
  328   1HG2  VAL  44          1HG2      VAL  44   2.866  -6.373  -6.241
  329   2HG2  VAL  44          2HG2      VAL  44   4.096  -7.636  -6.068
  330   3HG2  VAL  44          3HG2      VAL  44   2.756  -7.554  -4.911
  331    H    VAL  45           H        VAL  45   0.936  -4.812  -4.672
  332    HA   VAL  45           HA       VAL  45   0.090  -6.629  -2.534
  333    HB   VAL  45           HB       VAL  45  -1.358  -3.975  -2.686
  334   1HG1  VAL  45          1HG1      VAL  45  -2.649  -5.915  -1.809
  335   2HG1  VAL  45          2HG1      VAL  45  -1.414  -6.152  -0.566
  336   3HG1  VAL  45          3HG1      VAL  45  -2.379  -4.669  -0.596
  337   1HG2  VAL  45          1HG2      VAL  45   0.667  -4.684  -0.540
  338   2HG2  VAL  45          2HG2      VAL  45   0.835  -3.411  -1.772
  339   3HG2  VAL  45          3HG2      VAL  45  -0.424  -3.291  -0.547
  340    H    SER  46           H        SER  46  -1.528  -7.890  -3.123
  341    HA   SER  46           HA       SER  46  -3.468  -6.887  -5.194
  342   1HB   SER  46          1HB       SER  46  -2.823  -8.904  -6.132
  343   2HB   SER  46          2HB       SER  46  -2.709  -9.737  -4.623
  344    HG   SER  46           HG       SER  46  -5.099  -9.431  -4.546
  345    H    TYR  47           H        TYR  47  -5.198  -6.200  -4.422
  346    HA   TYR  47           HA       TYR  47  -6.338  -6.973  -1.854
  347   1HB   TYR  47          1HB       TYR  47  -6.232  -4.733  -0.929
  348   2HB   TYR  47          2HB       TYR  47  -4.727  -5.574  -1.031
  349    HD1  TYR  47           HD1      TYR  47  -5.284  -2.633  -0.486
  350    HD2  TYR  47           HD2      TYR  47  -4.029  -4.678  -4.072
  351    HE1  TYR  47           HE1      TYR  47  -3.942  -0.667  -1.168
  352    HE2  TYR  47           HE2      TYR  47  -2.830  -2.681  -4.800
  353    HH   TYR  47           HH       TYR  47  -2.682   0.283  -2.825
  354    H    HIS  48           H        HIS  48  -7.545  -7.511  -4.120
  355    HA   HIS  48           HA       HIS  48  -9.745  -5.497  -4.467
  356   1HB   HIS  48          1HB       HIS  48  -8.263  -6.926  -6.693
  357   2HB   HIS  48          2HB       HIS  48  -9.502  -5.691  -6.881
  358    HD2  HIS  48           HD2      HIS  48  -5.805  -6.180  -6.395
  359    HE1  HIS  48           HE1      HIS  48  -6.394  -1.984  -5.893
  360    HE2  HIS  48           HE2      HIS  48  -4.641  -3.820  -6.184
  361    H    GLY  49           H        GLY  49 -11.724  -6.452  -4.294
  362   1HA   GLY  49          1HA       GLY  49 -11.855  -9.401  -3.932
  363   2HA   GLY  49          2HA       GLY  49 -13.065  -8.182  -3.470
  364    H    GLU  50           H        GLU  50 -14.804  -8.330  -4.508
  365    HA   GLU  50           HA       GLU  50 -15.485  -9.255  -7.110
  366   1HB   GLU  50          1HB       GLU  50 -17.453  -7.878  -6.805
  367   2HB   GLU  50          2HB       GLU  50 -17.081  -8.732  -5.319
  368   1HG   GLU  50          1HG       GLU  50 -16.743  -5.767  -5.896
  369   2HG   GLU  50          2HG       GLU  50 -17.806  -6.531  -4.718
  370    H    THR  51           H        THR  51 -14.114  -6.090  -6.035
  371    HA   THR  51           HA       THR  51 -13.382  -5.499  -8.845
  372    HB   THR  51           HB       THR  51 -15.677  -4.614  -8.398
  373    HG1  THR  51           HG1      THR  51 -15.144  -2.648  -9.352
  374   1HG2  THR  51          1HG2      THR  51 -15.325  -3.816  -6.034
  375   2HG2  THR  51          2HG2      THR  51 -14.252  -2.550  -6.651
  376   3HG2  THR  51          3HG2      THR  51 -15.966  -2.574  -7.116
  377    H    THR  52           H        THR  52 -12.400  -3.123  -8.748
  378    HA   THR  52           HA       THR  52 -10.192  -3.099  -6.731
  379    HB   THR  52           HB       THR  52 -10.358  -2.149  -9.604
  380    HG1  THR  52           HG1      THR  52  -8.526  -3.552  -7.976
  381   1HG2  THR  52          1HG2      THR  52  -8.310  -1.291  -7.516
  382   2HG2  THR  52          2HG2      THR  52  -8.074  -1.166  -9.274
  383   3HG2  THR  52          3HG2      THR  52  -9.340  -0.220  -8.488
  384    HA   PRO  53           HA       PRO  53 -12.593   0.591  -5.550
  385   1HB   PRO  53          1HB       PRO  53 -12.126   0.597  -2.888
  386   2HB   PRO  53          2HB       PRO  53 -13.143  -0.670  -3.640
  387   1HG   PRO  53          1HG       PRO  53 -10.190  -0.852  -2.920
  388   2HG   PRO  53          2HG       PRO  53 -11.500  -2.006  -2.509
  389   1HD   PRO  53          1HD       PRO  53  -9.833  -2.294  -4.682
  390   2HD   PRO  53          2HD       PRO  53 -11.525  -2.875  -4.677
  391    H    GLN  54           H        GLN  54 -12.008   2.783  -4.944
  392    HA   GLN  54           HA       GLN  54  -9.307   3.694  -5.261
  393   1HB   GLN  54          1HB       GLN  54 -11.311   5.083  -5.606
  394   2HB   GLN  54          2HB       GLN  54 -11.666   5.037  -3.871
  395   1HG   GLN  54          1HG       GLN  54  -9.620   6.270  -3.361
  396   2HG   GLN  54          2HG       GLN  54  -9.071   6.155  -5.037
  397   1HE2  GLN  54          1HE2      GLN  54  -9.141   8.666  -3.861
  398   2HE2  GLN  54          2HE2      GLN  54 -10.506   9.543  -4.551
  399    H    ILE  55           H        ILE  55 -10.774   2.143  -2.573
  400    HA   ILE  55           HA       ILE  55  -9.198   3.061  -0.388
  401    HB   ILE  55           HB       ILE  55 -10.323   0.296  -0.950
  402   1HG1  ILE  55          1HG1      ILE  55 -11.435   2.543   0.796
  403   2HG1  ILE  55          2HG1      ILE  55 -11.987   2.216  -0.843
  404   1HG2  ILE  55          1HG2      ILE  55  -8.581   0.093   0.760
  405   2HG2  ILE  55          2HG2      ILE  55  -9.269   1.461   1.664
  406   3HG2  ILE  55          3HG2      ILE  55 -10.145  -0.079   1.516
  407   1HD1  ILE  55          1HD1      ILE  55 -12.317   0.371   1.541
  408   2HD1  ILE  55          2HD1      ILE  55 -12.674  -0.089  -0.144
  409   3HD1  ILE  55          3HD1      ILE  55 -13.564   1.235   0.635
  410    H    LEU  56           H        LEU  56  -8.225   1.194  -3.184
  411    HA   LEU  56           HA       LEU  56  -5.816   0.110  -2.203
  412   1HB   LEU  56          1HB       LEU  56  -5.275  -0.304  -4.427
  413   2HB   LEU  56          2HB       LEU  56  -7.011  -0.185  -4.482
  414    HG   LEU  56           HG       LEU  56  -6.538   2.345  -5.191
  415   1HD1  LEU  56          1HD1      LEU  56  -4.477   2.549  -6.585
  416   2HD1  LEU  56          2HD1      LEU  56  -4.023   2.293  -4.906
  417   3HD1  LEU  56          3HD1      LEU  56  -3.940   0.946  -6.047
  418   1HD2  LEU  56          1HD2      LEU  56  -7.614   0.693  -6.631
  419   2HD2  LEU  56          2HD2      LEU  56  -6.464   1.654  -7.556
  420   3HD2  LEU  56          3HD2      LEU  56  -6.035   0.000  -7.069
  421    H    THR  57           H        THR  57  -6.593   3.370  -3.111
  422    HA   THR  57           HA       THR  57  -3.822   4.392  -2.813
  423    HB   THR  57           HB       THR  57  -6.392   5.910  -3.465
  424    HG1  THR  57           HG1      THR  57  -4.486   4.706  -5.168
  425   1HG2  THR  57          1HG2      THR  57  -4.515   7.364  -2.818
  426   2HG2  THR  57          2HG2      THR  57  -3.432   6.523  -3.938
  427   3HG2  THR  57          3HG2      THR  57  -4.791   7.489  -4.558
  428    H    ASP  58           H        ASP  58  -7.070   4.888  -1.381
  429    HA   ASP  58           HA       ASP  58  -6.559   6.790   0.564
  430   1HB   ASP  58          1HB       ASP  58  -8.746   5.680   0.029
  431   2HB   ASP  58          2HB       ASP  58  -8.189   4.255   0.922
  432    H    ALA  59           H        ALA  59  -5.971   3.273   0.883
  433    HA   ALA  59           HA       ALA  59  -4.853   3.466   3.486
  434   1HB   ALA  59          1HB       ALA  59  -4.350   1.088   3.166
  435   2HB   ALA  59          2HB       ALA  59  -5.949   1.444   2.479
  436   3HB   ALA  59          3HB       ALA  59  -4.544   1.252   1.402
  437    H    VAL  60           H        VAL  60  -3.340   4.530   0.731
  438    HA   VAL  60           HA       VAL  60  -0.651   4.452   2.092
  439    HB   VAL  60           HB       VAL  60  -1.148   5.757  -0.598
  440   1HG1  VAL  60          1HG1      VAL  60   1.313   4.350   0.531
  441   2HG1  VAL  60          2HG1      VAL  60   1.030   6.083   0.684
  442   3HG1  VAL  60          3HG1      VAL  60   1.221   5.366  -0.920
  443   1HG2  VAL  60          1HG2      VAL  60  -0.344   3.664  -1.707
  444   2HG2  VAL  60          2HG2      VAL  60  -1.947   3.480  -0.996
  445   3HG2  VAL  60          3HG2      VAL  60  -0.528   2.799  -0.166
  446    H    GLU  61           H        GLU  61  -3.321   6.619   1.091
  447    HA   GLU  61           HA       GLU  61  -2.024   9.104   1.651
  448   1HB   GLU  61          1HB       GLU  61  -4.977   8.440   1.907
  449   2HB   GLU  61          2HB       GLU  61  -4.287  10.049   1.796
  450   1HG   GLU  61          1HG       GLU  61  -4.119   7.947  -0.402
  451   2HG   GLU  61          2HG       GLU  61  -5.359   9.192  -0.305
  452    H    ARG  62           H        ARG  62  -4.011   6.964   3.703
  453    HA   ARG  62           HA       ARG  62  -4.031   8.158   6.179
  454   1HB   ARG  62          1HB       ARG  62  -4.196   5.896   7.106
  455   2HB   ARG  62          2HB       ARG  62  -5.055   5.997   5.581
  456   1HG   ARG  62          1HG       ARG  62  -3.973   3.958   5.423
  457   2HG   ARG  62          2HG       ARG  62  -2.980   5.047   4.473
  458   1HD   ARG  62          1HD       ARG  62  -1.422   3.728   5.494
  459   2HD   ARG  62          2HD       ARG  62  -1.367   5.072   6.579
  460    HE   ARG  62           HE       ARG  62  -2.351   2.386   7.075
  461   1HH1  ARG  62          1HH1      ARG  62  -2.272   5.697   8.452
  462   2HH1  ARG  62          2HH1      ARG  62  -2.457   5.075  10.060
  463   1HH2  ARG  62          1HH2      ARG  62  -2.256   1.728   9.088
  464   2HH2  ARG  62          2HH2      ARG  62  -2.456   2.807  10.431
  465    H    ALA  63           H        ALA  63  -1.118   7.242   4.601
  466    HA   ALA  63           HA       ALA  63   0.454   7.021   7.142
  467   1HB   ALA  63          1HB       ALA  63   2.192   6.107   5.702
  468   2HB   ALA  63          2HB       ALA  63   0.682   5.252   5.365
  469   3HB   ALA  63          3HB       ALA  63   1.282   6.500   4.252
  470    H    GLY  64           H        GLY  64  -0.385   9.389   4.830
  471   1HA   GLY  64          1HA       GLY  64   0.374  11.601   4.638
  472   2HA   GLY  64          2HA       GLY  64   1.892  11.178   5.490
  473    H    TYR  65           H        TYR  65   0.994   8.792   3.168
  474    HA   TYR  65           HA       TYR  65   3.141   9.817   1.388
  475   1HB   TYR  65          1HB       TYR  65   2.546   6.970   2.251
  476   2HB   TYR  65          2HB       TYR  65   3.846   7.466   1.190
  477    HD1  TYR  65           HD1      TYR  65   4.006   5.825   3.801
  478    HD2  TYR  65           HD2      TYR  65   4.653  10.004   2.963
  479    HE1  TYR  65           HE1      TYR  65   5.602   5.960   5.696
  480    HE2  TYR  65           HE2      TYR  65   6.180  10.162   4.892
  481    HH   TYR  65           HH       TYR  65   6.898   7.420   7.060
  482    H    HIS  66           H        HIS  66   3.084   9.111  -0.837
  483    HA   HIS  66           HA       HIS  66   0.284   8.763  -1.858
  484   1HB   HIS  66          1HB       HIS  66   2.567  10.573  -2.647
  485   2HB   HIS  66          2HB       HIS  66   1.580   9.928  -3.938
  486    HD1  HIS  66           HD1      HIS  66   0.410  12.179  -4.529
  487    HD2  HIS  66           HD2      HIS  66  -0.319  10.623  -0.696
  488    HE1  HIS  66           HE1      HIS  66  -1.810  13.194  -3.698
  489    HE2  HIS  66           HE2      HIS  66  -2.243  12.097  -1.402
  490    H    ALA  67           H        ALA  67  -0.115   7.618  -3.687
  491    HA   ALA  67           HA       ALA  67   1.746   5.366  -4.251
  492   1HB   ALA  67          1HB       ALA  67  -1.109   6.074  -5.112
  493   2HB   ALA  67          2HB       ALA  67  -0.269   4.597  -5.584
  494   3HB   ALA  67          3HB       ALA  67  -0.633   4.892  -3.871
  495    H    ARG  68           H        ARG  68   3.100   5.326  -6.035
  496    HA   ARG  68           HA       ARG  68   2.199   6.746  -8.475
  497   1HB   ARG  68          1HB       ARG  68   4.170   7.801  -8.931
  498   2HB   ARG  68          2HB       ARG  68   3.947   8.127  -7.210
  499   1HG   ARG  68          1HG       ARG  68   5.763   6.820  -6.580
  500   2HG   ARG  68          2HG       ARG  68   5.776   5.884  -8.086
  501   1HD   ARG  68          1HD       ARG  68   6.486   7.788  -9.391
  502   2HD   ARG  68          2HD       ARG  68   6.410   8.855  -7.998
  503    HE   ARG  68           HE       ARG  68   8.467   6.877  -8.657
  504   1HH1  ARG  68          1HH1      ARG  68   7.342   9.149  -6.158
  505   2HH1  ARG  68          2HH1      ARG  68   8.726   8.786  -5.151
  506   1HH2  ARG  68          1HH2      ARG  68  10.163   6.494  -7.280
  507   2HH2  ARG  68          2HH2      ARG  68  10.210   7.164  -5.710
  508    H    VAL  69           H        VAL  69   3.123   5.868 -10.494
  509    HA   VAL  69           HA       VAL  69   3.667   3.027 -10.383
  510    HB   VAL  69           HB       VAL  69   4.005   3.390 -12.836
  511   1HG1  VAL  69          1HG1      VAL  69   1.342   4.362 -11.732
  512   2HG1  VAL  69          2HG1      VAL  69   1.614   3.649 -13.336
  513   3HG1  VAL  69          3HG1      VAL  69   1.843   2.663 -11.882
  514   1HG2  VAL  69          1HG2      VAL  69   3.017   6.224 -12.360
  515   2HG2  VAL  69          2HG2      VAL  69   4.644   5.767 -12.914
  516   3HG2  VAL  69          3HG2      VAL  69   3.240   5.435 -13.931
  517    H    LEU  70           H        LEU  70   5.399   2.003 -10.467
  518    HA   LEU  70           HA       LEU  70   8.041   3.327 -10.734
  519   1HB   LEU  70          1HB       LEU  70   8.973   1.396  -9.866
  520   2HB   LEU  70          2HB       LEU  70   7.572   1.700  -8.890
  521    HG   LEU  70           HG       LEU  70   6.394  -0.130 -10.356
  522   1HD1  LEU  70          1HD1      LEU  70   7.955  -1.910 -11.140
  523   2HD1  LEU  70          2HD1      LEU  70   8.197  -0.447 -12.085
  524   3HD1  LEU  70          3HD1      LEU  70   9.343  -0.857 -10.800
  525   1HD2  LEU  70          1HD2      LEU  70   7.224  -1.872  -8.827
  526   2HD2  LEU  70          2HD2      LEU  70   8.642  -0.878  -8.422
  527   3HD2  LEU  70          3HD2      LEU  70   7.020  -0.356  -7.948
  528    H    LYS  71           H        LYS  71   9.215   3.054 -12.693
  529    HA   LYS  71           HA       LYS  71   8.177   1.295 -14.766
  530   1HB   LYS  71          1HB       LYS  71   6.515   3.397 -14.426
  531   2HB   LYS  71          2HB       LYS  71   7.730   4.212 -15.392
  532   1HG   LYS  71          1HG       LYS  71   7.424   2.139 -17.017
  533   2HG   LYS  71          2HG       LYS  71   5.940   1.857 -16.101
  534   1HD   LYS  71          1HD       LYS  71   5.240   4.219 -16.606
  535   2HD   LYS  71          2HD       LYS  71   6.705   4.427 -17.570
  536   1HE   LYS  71          1HE       LYS  71   4.360   2.564 -18.136
  537   2HE   LYS  71          2HE       LYS  71   4.845   4.004 -19.041
  538   1HZ   LYS  71          1HZ       LYS  71   6.041   1.341 -19.015
  539   2HZ   LYS  71          2HZ       LYS  71   5.746   2.304 -20.285
  540   3HZ   LYS  71          3HZ       LYS  71   7.057   2.606 -19.319
  541    H    GLN  72           H        GLN  72   9.453   1.053 -16.495
  542    HA   GLN  72           HA       GLN  72  10.650   3.392 -17.692
  543   1HB   GLN  72          1HB       GLN  72  12.643   1.556 -18.375
  544   2HB   GLN  72          2HB       GLN  72  12.775   2.981 -17.392
  545   1HG   GLN  72          1HG       GLN  72  13.871   1.141 -16.312
  546   2HG   GLN  72          2HG       GLN  72  12.537   1.707 -15.327
  547   1HE2  GLN  72          1HE2      GLN  72  13.407  -0.698 -14.571
  548   2HE2  GLN  72          2HE2      GLN  72  12.381  -1.976 -15.214
  549    H    GLN  73           H        GLN  73  11.368   0.222 -18.912
  550    HA   GLN  73           HA       GLN  73   9.967  -1.458 -19.012
  551   1HB   GLN  73          1HB       GLN  73   7.988  -0.017 -18.510
  552   2HB   GLN  73          2HB       GLN  73   7.751   0.152 -20.261
  553   1HG   GLN  73          1HG       GLN  73   7.538  -2.380 -20.338
  554   2HG   GLN  73          2HG       GLN  73   7.696  -2.398 -18.583
  555   1HE2  GLN  73          1HE2      GLN  73   5.372  -3.491 -19.240
  556   2HE2  GLN  73          2HE2      GLN  73   4.057  -2.331 -19.149
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  -7.202 -12.820 -12.120
    2   2H    MET   1          2H        MET   1  -7.433 -12.314 -10.576
    3   3H    MET   1          3H        MET   1  -8.223 -13.665 -11.112
    4    HA   MET   1           HA       MET   1  -6.356 -14.190  -9.666
    5   1HB   MET   1          1HB       MET   1  -5.809 -15.009 -12.560
    6   2HB   MET   1          2HB       MET   1  -5.218 -15.812 -11.096
    7   1HG   MET   1          1HG       MET   1  -8.076 -15.626 -12.092
    8   2HG   MET   1          2HG       MET   1  -7.101 -17.078 -11.913
    9   1HE   MET   1          1HE       MET   1  -7.087 -18.555  -9.857
   10   2HE   MET   1          2HE       MET   1  -5.907 -17.390  -9.211
   11   3HE   MET   1          3HE       MET   1  -7.256 -17.949  -8.197
   12    H    ALA   2           H        ALA   2  -4.196 -13.772  -9.084
   13    HA   ALA   2           HA       ALA   2  -2.306 -12.547  -8.882
   14   1HB   ALA   2          1HB       ALA   2  -1.731 -14.092 -10.746
   15   2HB   ALA   2          2HB       ALA   2  -2.218 -12.839 -11.916
   16   3HB   ALA   2          3HB       ALA   2  -0.847 -12.562 -10.833
   17    H    GLN   3           H        GLN   3  -4.762 -10.886  -9.132
   18    HA   GLN   3           HA       GLN   3  -4.091  -8.628 -10.816
   19   1HB   GLN   3          1HB       GLN   3  -6.188  -7.690 -10.067
   20   2HB   GLN   3          2HB       GLN   3  -6.384  -9.324 -10.657
   21   1HG   GLN   3          1HG       GLN   3  -6.274  -8.672  -7.673
   22   2HG   GLN   3          2HG       GLN   3  -7.739  -8.585  -8.619
   23   1HE2  GLN   3          1HE2      GLN   3  -8.100 -10.166  -6.616
   24   2HE2  GLN   3          2HE2      GLN   3  -7.933 -11.856  -7.045
   25    H    THR   4           H        THR   4  -1.918  -8.545  -9.588
   26    HA   THR   4           HA       THR   4  -2.108  -6.847  -7.159
   27    HB   THR   4           HB       THR   4  -0.832  -8.881  -6.872
   28    HG1  THR   4           HG1      THR   4   1.155  -7.788  -6.297
   29   1HG2  THR   4          1HG2      THR   4   1.072  -7.809  -9.020
   30   2HG2  THR   4          2HG2      THR   4   1.324  -9.244  -8.002
   31   3HG2  THR   4          3HG2      THR   4   0.029  -9.232  -9.204
   32    H    ILE   5           H        ILE   5  -1.196  -4.983  -6.939
   33    HA   ILE   5           HA       ILE   5  -0.196  -3.528  -9.351
   34    HB   ILE   5           HB       ILE   5  -1.089  -2.290  -6.716
   35   1HG1  ILE   5          1HG1      ILE   5  -3.111  -3.289  -7.557
   36   2HG1  ILE   5          2HG1      ILE   5  -3.175  -1.550  -7.763
   37   1HG2  ILE   5          1HG2      ILE   5   0.448  -0.937  -8.073
   38   2HG2  ILE   5          2HG2      ILE   5  -0.604  -1.098  -9.485
   39   3HG2  ILE   5          3HG2      ILE   5  -1.160  -0.206  -8.051
   40   1HD1  ILE   5          1HD1      ILE   5  -2.717  -1.790 -10.185
   41   2HD1  ILE   5          2HD1      ILE   5  -2.585  -3.556  -9.991
   42   3HD1  ILE   5          3HD1      ILE   5  -4.128  -2.740  -9.694
   43    H    ASN   6           H        ASN   6   1.942  -3.093  -9.320
   44    HA   ASN   6           HA       ASN   6   3.354  -3.032  -6.732
   45   1HB   ASN   6          1HB       ASN   6   5.345  -3.998  -7.671
   46   2HB   ASN   6          2HB       ASN   6   4.005  -5.128  -7.858
   47   1HD2  ASN   6          1HD2      ASN   6   2.875  -5.097 -10.087
   48   2HD2  ASN   6          2HD2      ASN   6   3.910  -4.698 -11.458
   49    H    LEU   7           H        LEU   7   4.586  -1.293  -6.434
   50    HA   LEU   7           HA       LEU   7   5.340   0.609  -8.451
   51   1HB   LEU   7          1HB       LEU   7   3.810   2.306  -8.060
   52   2HB   LEU   7          2HB       LEU   7   2.827   0.904  -8.353
   53    HG   LEU   7           HG       LEU   7   3.356   2.221  -5.648
   54   1HD1  LEU   7          1HD1      LEU   7   1.844   3.398  -7.229
   55   2HD1  LEU   7          2HD1      LEU   7   0.818   1.951  -7.314
   56   3HD1  LEU   7          3HD1      LEU   7   0.995   2.823  -5.774
   57   1HD2  LEU   7          1HD2      LEU   7   1.641  -0.232  -6.254
   58   2HD2  LEU   7          2HD2      LEU   7   3.087  -0.180  -5.230
   59   3HD2  LEU   7          3HD2      LEU   7   1.629   0.679  -4.730
   60    H    GLN   8           H        GLN   8   5.994   2.766  -7.222
   61    HA   GLN   8           HA       GLN   8   7.282   2.035  -4.643
   62   1HB   GLN   8          1HB       GLN   8   8.094   3.905  -6.881
   63   2HB   GLN   8          2HB       GLN   8   8.751   4.055  -5.245
   64   1HG   GLN   8          1HG       GLN   8   9.689   1.826  -5.334
   65   2HG   GLN   8          2HG       GLN   8   8.841   1.452  -6.830
   66   1HE2  GLN   8          1HE2      GLN   8  11.043   4.191  -5.695
   67   2HE2  GLN   8          2HE2      GLN   8  12.112   3.927  -7.056
   68    H    LEU   9           H        LEU   9   7.520   3.822  -3.147
   69    HA   LEU   9           HA       LEU   9   4.806   4.999  -2.830
   70   1HB   LEU   9          1HB       LEU   9   5.642   2.837  -1.708
   71   2HB   LEU   9          2HB       LEU   9   6.651   3.849  -0.689
   72    HG   LEU   9           HG       LEU   9   3.659   4.372  -0.932
   73   1HD1  LEU   9          1HD1      LEU   9   3.866   1.955  -0.515
   74   2HD1  LEU   9          2HD1      LEU   9   4.957   2.266   0.856
   75   3HD1  LEU   9          3HD1      LEU   9   3.260   2.790   0.915
   76   1HD2  LEU   9          1HD2      LEU   9   3.895   5.099   1.378
   77   2HD2  LEU   9          2HD2      LEU   9   5.611   4.648   1.399
   78   3HD2  LEU   9          3HD2      LEU   9   5.052   5.979   0.358
   79    H    GLU  10           H        GLU  10   4.605   7.037  -2.273
   80    HA   GLU  10           HA       GLU  10   6.991   8.809  -2.425
   81   1HB   GLU  10          1HB       GLU  10   5.100   8.680  -4.201
   82   2HB   GLU  10          2HB       GLU  10   4.072   9.391  -2.998
   83   1HG   GLU  10          1HG       GLU  10   6.615  10.679  -4.066
   84   2HG   GLU  10          2HG       GLU  10   5.008  10.942  -4.755
   85    H    GLY  11           H        GLY  11   6.811  10.886  -1.096
   86   1HA   GLY  11          1HA       GLY  11   6.581  11.942   0.912
   87   2HA   GLY  11          2HA       GLY  11   5.118  10.974   1.219
   88    H    MET  12           H        MET  12   6.780   8.459   0.922
   89    HA   MET  12           HA       MET  12   7.504   7.846   3.528
   90   1HB   MET  12          1HB       MET  12   8.408   5.871   2.703
   91   2HB   MET  12          2HB       MET  12   7.262   6.343   1.468
   92   1HG   MET  12          1HG       MET  12   9.024   5.753   0.141
   93   2HG   MET  12          2HG       MET  12   9.366   7.457   0.317
   94   1HE   MET  12          1HE       MET  12  11.746   8.169   0.633
   95   2HE   MET  12          2HE       MET  12  13.022   6.929   0.616
   96   3HE   MET  12          3HE       MET  12  11.737   6.925  -0.615
   97    H    ARG  13           H        ARG  13   9.158   8.223   4.877
   98    HA   ARG  13           HA       ARG  13  11.814   8.813   4.108
   99   1HB   ARG  13          1HB       ARG  13  10.182  11.125   3.754
  100   2HB   ARG  13          2HB       ARG  13  11.007  11.398   5.267
  101   1HG   ARG  13          1HG       ARG  13  13.191  10.676   4.000
  102   2HG   ARG  13          2HG       ARG  13  12.217  10.844   2.534
  103   1HD   ARG  13          1HD       ARG  13  13.317  12.914   2.792
  104   2HD   ARG  13          2HD       ARG  13  11.650  13.206   3.331
  105    HE   ARG  13           HE       ARG  13  13.481  12.398   5.465
  106   1HH1  ARG  13          1HH1      ARG  13  12.282  15.234   3.743
  107   2HH1  ARG  13          2HH1      ARG  13  12.812  16.343   4.977
  108   1HH2  ARG  13          1HH2      ARG  13  14.120  13.857   7.045
  109   2HH2  ARG  13          2HH2      ARG  13  13.808  15.554   6.853
  110    H    CYS  14           H        CYS  14   9.579   8.415   6.662
  111    HA   CYS  14           HA       CYS  14  11.533   8.090   8.721
  112   1HB   CYS  14          1HB       CYS  14  11.391  10.691   8.385
  113   2HB   CYS  14          2HB       CYS  14   9.788  10.564   9.114
  114    HG   CYS  14           HG       CYS  14  12.786   9.670  10.280
  115    H    ALA  15           H        ALA  15   9.768   8.662  10.904
  116    HA   ALA  15           HA       ALA  15   7.901   8.130  12.075
  117   1HB   ALA  15          1HB       ALA  15   6.579   8.386   9.338
  118   2HB   ALA  15          2HB       ALA  15   5.849   8.678  10.925
  119   3HB   ALA  15          3HB       ALA  15   7.126   9.753  10.342
  120    H    ALA  16           H        ALA  16   8.733   5.745   9.820
  121    HA   ALA  16           HA       ALA  16   8.531   3.485   9.809
  122   1HB   ALA  16          1HB       ALA  16   6.822   3.678  12.321
  123   2HB   ALA  16          2HB       ALA  16   7.638   2.251  11.676
  124   3HB   ALA  16          3HB       ALA  16   8.601   3.607  12.296
  125    H    CYS  17           H        CYS  17   5.707   5.442   9.695
  126    HA   CYS  17           HA       CYS  17   3.562   4.003   9.627
  127   1HB   CYS  17          1HB       CYS  17   4.147   6.106   7.489
  128   2HB   CYS  17          2HB       CYS  17   2.564   5.619   8.104
  129    HG   CYS  17           HG       CYS  17   3.255   7.994   8.948
  130    H    ALA  18           H        ALA  18   5.852   3.260   7.083
  131    HA   ALA  18           HA       ALA  18   4.033   2.725   4.945
  132   1HB   ALA  18          1HB       ALA  18   6.501   3.029   4.695
  133   2HB   ALA  18          2HB       ALA  18   6.746   1.448   5.483
  134   3HB   ALA  18          3HB       ALA  18   5.907   1.551   3.930
  135    H    SER  19           H        SER  19   5.502   0.282   7.238
  136    HA   SER  19           HA       SER  19   3.712  -1.736   6.289
  137   1HB   SER  19          1HB       SER  19   5.373  -1.623   8.812
  138   2HB   SER  19          2HB       SER  19   4.506  -3.064   8.219
  139    HG   SER  19           HG       SER  19   5.664  -2.975   6.297
  140    H    SER  20           H        SER  20   2.932   0.863   8.336
  141    HA   SER  20           HA       SER  20   0.607  -0.411   9.605
  142   1HB   SER  20          1HB       SER  20   1.656   1.669  10.541
  143   2HB   SER  20          2HB       SER  20   1.078   2.550   9.111
  144    HG   SER  20           HG       SER  20  -1.038   1.568   9.702
  145    H    ILE  21           H        ILE  21   1.372   0.513   6.400
  146    HA   ILE  21           HA       ILE  21  -1.394   0.834   5.412
  147    HB   ILE  21           HB       ILE  21   1.198   0.235   3.929
  148   1HG1  ILE  21          1HG1      ILE  21  -0.182   2.939   4.223
  149   2HG1  ILE  21          2HG1      ILE  21   1.171   2.443   5.210
  150   1HG2  ILE  21          1HG2      ILE  21  -1.600   0.658   2.989
  151   2HG2  ILE  21          2HG2      ILE  21  -0.238   1.178   1.974
  152   3HG2  ILE  21          3HG2      ILE  21  -0.360  -0.497   2.489
  153   1HD1  ILE  21          1HD1      ILE  21   1.991   3.816   3.429
  154   2HD1  ILE  21          2HD1      ILE  21   2.587   2.158   3.208
  155   3HD1  ILE  21          3HD1      ILE  21   1.258   2.769   2.215
  156    H    GLU  22           H        GLU  22   1.139  -1.684   5.141
  157    HA   GLU  22           HA       GLU  22  -0.286  -3.785   4.067
  158   1HB   GLU  22          1HB       GLU  22   1.850  -3.964   6.250
  159   2HB   GLU  22          2HB       GLU  22   1.391  -5.251   5.133
  160   1HG   GLU  22          1HG       GLU  22   2.146  -3.887   3.226
  161   2HG   GLU  22          2HG       GLU  22   2.598  -2.566   4.299
  162    H    ARG  23           H        ARG  23   0.003  -2.992   7.534
  163    HA   ARG  23           HA       ARG  23  -1.722  -5.028   8.511
  164   1HB   ARG  23          1HB       ARG  23   0.106  -3.499   9.672
  165   2HB   ARG  23          2HB       ARG  23  -1.219  -2.360   9.883
  166   1HG   ARG  23          1HG       ARG  23  -1.113  -3.610  11.894
  167   2HG   ARG  23          2HG       ARG  23  -2.500  -4.284  11.034
  168   1HD   ARG  23          1HD       ARG  23  -0.939  -6.096  10.131
  169   2HD   ARG  23          2HD       ARG  23   0.338  -5.441  11.144
  170    HE   ARG  23           HE       ARG  23  -1.796  -7.194  11.903
  171   1HH1  ARG  23          1HH1      ARG  23   0.117  -4.566  13.297
  172   2HH1  ARG  23          2HH1      ARG  23   0.016  -5.222  14.906
  173   1HH2  ARG  23          1HH2      ARG  23  -1.845  -8.009  13.993
  174   2HH2  ARG  23          2HH2      ARG  23  -1.085  -7.135  15.288
  175    H    ALA  24           H        ALA  24  -2.554  -1.989   7.028
  176    HA   ALA  24           HA       ALA  24  -5.274  -1.943   8.211
  177   1HB   ALA  24          1HB       ALA  24  -5.524   0.135   6.892
  178   2HB   ALA  24          2HB       ALA  24  -4.070   0.206   7.914
  179   3HB   ALA  24          3HB       ALA  24  -3.925  -0.103   6.169
  180    H    ILE  25           H        ILE  25  -3.625  -2.473   5.062
  181    HA   ILE  25           HA       ILE  25  -6.005  -3.013   3.532
  182    HB   ILE  25           HB       ILE  25  -3.129  -3.884   3.089
  183   1HG1  ILE  25          1HG1      ILE  25  -4.667  -1.623   1.729
  184   2HG1  ILE  25          2HG1      ILE  25  -3.618  -1.365   3.119
  185   1HG2  ILE  25          1HG2      ILE  25  -4.591  -5.351   1.810
  186   2HG2  ILE  25          2HG2      ILE  25  -5.594  -3.987   1.278
  187   3HG2  ILE  25          3HG2      ILE  25  -3.940  -4.193   0.688
  188   1HD1  ILE  25          1HD1      ILE  25  -2.693  -2.451   0.431
  189   2HD1  ILE  25          2HD1      ILE  25  -2.399  -0.847   1.096
  190   3HD1  ILE  25          3HD1      ILE  25  -1.686  -2.281   1.875
  191    H    ALA  26           H        ALA  26  -4.072  -5.021   5.644
  192    HA   ALA  26           HA       ALA  26  -5.137  -7.569   5.224
  193   1HB   ALA  26          1HB       ALA  26  -4.691  -7.914   7.621
  194   2HB   ALA  26          2HB       ALA  26  -3.397  -6.950   6.880
  195   3HB   ALA  26          3HB       ALA  26  -4.639  -6.157   7.884
  196    H    LYS  27           H        LYS  27  -7.090  -4.807   6.101
  197    HA   LYS  27           HA       LYS  27  -9.386  -6.516   6.916
  198   1HB   LYS  27          1HB       LYS  27  -8.889  -3.507   6.813
  199   2HB   LYS  27          2HB       LYS  27 -10.454  -4.215   7.146
  200   1HG   LYS  27          1HG       LYS  27  -9.380  -3.566   9.178
  201   2HG   LYS  27          2HG       LYS  27  -9.679  -5.304   9.131
  202   1HD   LYS  27          1HD       LYS  27  -7.293  -5.746   8.808
  203   2HD   LYS  27          2HD       LYS  27  -6.964  -4.016   8.612
  204   1HE   LYS  27          1HE       LYS  27  -6.306  -4.803  10.823
  205   2HE   LYS  27          2HE       LYS  27  -7.598  -3.600  10.931
  206   1HZ   LYS  27          1HZ       LYS  27  -8.006  -6.538  11.102
  207   2HZ   LYS  27          2HZ       LYS  27  -8.057  -5.500  12.384
  208   3HZ   LYS  27          3HZ       LYS  27  -9.190  -5.412  11.198
  209    H    VAL  28           H        VAL  28  -8.110  -5.355   3.957
  210    HA   VAL  28           HA       VAL  28 -10.693  -4.736   2.691
  211    HB   VAL  28           HB       VAL  28  -7.912  -5.081   1.475
  212   1HG1  VAL  28          1HG1      VAL  28  -8.875  -3.916  -0.507
  213   2HG1  VAL  28          2HG1      VAL  28  -9.609  -5.502  -0.249
  214   3HG1  VAL  28          3HG1      VAL  28 -10.487  -4.027   0.220
  215   1HG2  VAL  28          1HG2      VAL  28  -8.130  -3.098   3.003
  216   2HG2  VAL  28          2HG2      VAL  28  -7.900  -2.624   1.315
  217   3HG2  VAL  28          3HG2      VAL  28  -9.516  -2.544   2.051
  218    HA   PRO  29           HA       PRO  29 -11.464  -9.003   2.334
  219   1HB   PRO  29          1HB       PRO  29 -13.572  -9.100   0.519
  220   2HB   PRO  29          2HB       PRO  29 -13.715  -8.600   2.230
  221   1HG   PRO  29          1HG       PRO  29 -13.369  -6.827  -0.207
  222   2HG   PRO  29          2HG       PRO  29 -14.547  -6.650   1.135
  223   1HD   PRO  29          1HD       PRO  29 -12.250  -5.230   1.113
  224   2HD   PRO  29          2HD       PRO  29 -12.850  -5.935   2.643
  225    H    GLY  30           H        GLY  30 -10.672  -7.177  -0.582
  226   1HA   GLY  30          1HA       GLY  30 -10.076  -9.569  -2.183
  227   2HA   GLY  30          2HA       GLY  30  -9.791  -7.867  -2.613
  228    H    VAL  31           H        VAL  31  -8.391  -8.362   0.419
  229    HA   VAL  31           HA       VAL  31  -5.676  -8.142  -0.609
  230    HB   VAL  31           HB       VAL  31  -6.404  -7.280   1.594
  231   1HG1  VAL  31          1HG1      VAL  31  -7.568  -9.432   2.425
  232   2HG1  VAL  31          2HG1      VAL  31  -5.947 -10.065   2.729
  233   3HG1  VAL  31          3HG1      VAL  31  -6.494  -8.603   3.565
  234   1HG2  VAL  31          1HG2      VAL  31  -4.233  -7.724   2.644
  235   2HG2  VAL  31          2HG2      VAL  31  -3.983  -9.136   1.600
  236   3HG2  VAL  31          3HG2      VAL  31  -4.037  -7.511   0.893
  237    H    GLN  32           H        GLN  32  -4.524  -9.679  -1.464
  238    HA   GLN  32           HA       GLN  32  -4.828 -12.479  -0.397
  239   1HB   GLN  32          1HB       GLN  32  -4.155 -13.391  -2.472
  240   2HB   GLN  32          2HB       GLN  32  -5.446 -12.242  -2.770
  241   1HG   GLN  32          1HG       GLN  32  -4.122 -11.528  -4.412
  242   2HG   GLN  32          2HG       GLN  32  -3.341 -10.568  -3.194
  243   1HE2  GLN  32          1HE2      GLN  32  -1.800 -13.034  -2.025
  244   2HE2  GLN  32          2HE2      GLN  32  -0.652 -13.344  -3.324
  245    H    SER  33           H        SER  33  -2.515  -9.801  -0.891
  246    HA   SER  33           HA       SER  33  -1.315 -10.420   1.470
  247   1HB   SER  33          1HB       SER  33   0.168 -11.819  -0.742
  248   2HB   SER  33          2HB       SER  33   1.067 -11.020   0.549
  249    HG   SER  33           HG       SER  33  -1.005 -12.892   0.883
  250    H    CYS  34           H        CYS  34   0.192  -8.930   2.137
  251    HA   CYS  34           HA       CYS  34   0.730  -6.658   0.277
  252   1HB   CYS  34          1HB       CYS  34   0.600  -6.667   3.328
  253   2HB   CYS  34          2HB       CYS  34   0.699  -5.243   2.279
  254    HG   CYS  34           HG       CYS  34  -1.690  -5.688   3.581
  255    H    GLN  35           H        GLN  35   2.790  -5.948   0.096
  256    HA   GLN  35           HA       GLN  35   4.887  -6.790   1.948
  257   1HB   GLN  35          1HB       GLN  35   5.215  -7.332  -1.043
  258   2HB   GLN  35          2HB       GLN  35   6.385  -7.582   0.221
  259   1HG   GLN  35          1HG       GLN  35   5.707  -9.717  -0.277
  260   2HG   GLN  35          2HG       GLN  35   4.798  -9.362   1.182
  261   1HE2  GLN  35          1HE2      GLN  35   3.223  -7.767  -1.526
  262   2HE2  GLN  35          2HE2      GLN  35   2.037  -9.050  -1.702
  263    H    VAL  36           H        VAL  36   5.608  -4.769   2.438
  264    HA   VAL  36           HA       VAL  36   6.316  -2.922   0.195
  265    HB   VAL  36           HB       VAL  36   5.490  -2.200   3.034
  266   1HG1  VAL  36          1HG1      VAL  36   6.078  -0.387   0.656
  267   2HG1  VAL  36          2HG1      VAL  36   5.405   0.122   2.209
  268   3HG1  VAL  36          3HG1      VAL  36   7.048  -0.520   2.142
  269   1HG2  VAL  36          1HG2      VAL  36   3.969  -1.825   0.421
  270   2HG2  VAL  36          2HG2      VAL  36   3.558  -2.999   1.665
  271   3HG2  VAL  36          3HG2      VAL  36   3.445  -1.274   2.027
  272    H    ASN  37           H        ASN  37   8.365  -2.353  -0.031
  273    HA   ASN  37           HA       ASN  37  10.350  -3.054   2.091
  274   1HB   ASN  37          1HB       ASN  37  10.621  -4.045  -0.233
  275   2HB   ASN  37          2HB       ASN  37  10.901  -2.409  -0.825
  276   1HD2  ASN  37          1HD2      ASN  37  12.214  -5.001   1.244
  277   2HD2  ASN  37          2HD2      ASN  37  13.803  -4.267   1.385
  278    H    PHE  38           H        PHE  38  10.094  -1.259   3.435
  279    HA   PHE  38           HA       PHE  38  10.268   1.450   2.493
  280   1HB   PHE  38          1HB       PHE  38   9.106   0.510   4.571
  281   2HB   PHE  38          2HB       PHE  38  10.685   0.480   5.336
  282    HD1  PHE  38           HD1      PHE  38   8.752   1.818   6.781
  283    HD2  PHE  38           HD2      PHE  38  10.919   3.413   3.401
  284    HE1  PHE  38           HE1      PHE  38   8.230   4.137   7.512
  285    HE2  PHE  38           HE2      PHE  38  10.431   5.689   4.173
  286    HZ   PHE  38           HZ       PHE  38   9.063   6.071   6.195
  287    H    ALA  39           H        ALA  39  12.312   0.517   1.221
  288    HA   ALA  39           HA       ALA  39  14.502   2.183   2.191
  289   1HB   ALA  39          1HB       ALA  39  16.231   0.411   1.976
  290   2HB   ALA  39          2HB       ALA  39  15.093   0.053   3.286
  291   3HB   ALA  39          3HB       ALA  39  14.962  -0.811   1.739
  292    H    LEU  40           H        LEU  40  13.632  -0.321  -0.325
  293    HA   LEU  40           HA       LEU  40  14.530   1.491  -2.463
  294   1HB   LEU  40          1HB       LEU  40  15.600  -0.597  -2.476
  295   2HB   LEU  40          2HB       LEU  40  14.173  -1.466  -1.942
  296    HG   LEU  40           HG       LEU  40  13.146  -1.277  -4.010
  297   1HD1  LEU  40          1HD1      LEU  40  14.199   0.834  -4.942
  298   2HD1  LEU  40          2HD1      LEU  40  15.744  -0.021  -5.071
  299   3HD1  LEU  40          3HD1      LEU  40  14.364  -0.510  -6.079
  300   1HD2  LEU  40          1HD2      LEU  40  15.958  -2.412  -4.231
  301   2HD2  LEU  40          2HD2      LEU  40  14.543  -3.225  -3.528
  302   3HD2  LEU  40          3HD2      LEU  40  14.584  -2.866  -5.263
  303    H    GLU  41           H        GLU  41  12.148   1.869  -0.767
  304    HA   GLU  41           HA       GLU  41  10.095   2.757  -0.873
  305   1HB   GLU  41          1HB       GLU  41  10.846   3.096  -3.791
  306   2HB   GLU  41          2HB       GLU  41   9.489   3.892  -2.998
  307   1HG   GLU  41          1HG       GLU  41  11.061   5.000  -1.437
  308   2HG   GLU  41          2HG       GLU  41  12.411   4.367  -2.399
  309    H    GLN  42           H        GLN  42  10.343  -0.162  -2.794
  310    HA   GLN  42           HA       GLN  42   7.849   0.175  -4.061
  311   1HB   GLN  42          1HB       GLN  42   8.021  -1.951  -4.946
  312   2HB   GLN  42          2HB       GLN  42   9.664  -1.365  -4.785
  313   1HG   GLN  42          1HG       GLN  42   9.268  -2.699  -2.341
  314   2HG   GLN  42          2HG       GLN  42   8.213  -3.623  -3.383
  315   1HE2  GLN  42          1HE2      GLN  42  11.545  -2.226  -3.247
  316   2HE2  GLN  42          2HE2      GLN  42  12.279  -3.640  -3.976
  317    H    ALA  43           H        ALA  43   5.848  -0.537  -3.836
  318    HA   ALA  43           HA       ALA  43   5.177  -2.385  -1.596
  319   1HB   ALA  43          1HB       ALA  43   3.352  -0.361  -2.986
  320   2HB   ALA  43          2HB       ALA  43   2.820  -1.597  -1.825
  321   3HB   ALA  43          3HB       ALA  43   3.902  -0.289  -1.305
  322    H    VAL  44           H        VAL  44   4.244  -4.270  -2.222
  323    HA   VAL  44           HA       VAL  44   2.965  -4.335  -4.884
  324    HB   VAL  44           HB       VAL  44   4.946  -5.533  -5.379
  325   1HG1  VAL  44          1HG1      VAL  44   5.667  -6.249  -3.115
  326   2HG1  VAL  44          2HG1      VAL  44   4.405  -7.507  -3.154
  327   3HG1  VAL  44          3HG1      VAL  44   5.731  -7.543  -4.320
  328   1HG2  VAL  44          1HG2      VAL  44   4.058  -7.634  -6.186
  329   2HG2  VAL  44          2HG2      VAL  44   2.719  -7.574  -5.025
  330   3HG2  VAL  44          3HG2      VAL  44   2.824  -6.372  -6.332
  331    H    VAL  45           H        VAL  45   0.916  -4.864  -4.746
  332    HA   VAL  45           HA       VAL  45  -0.022  -6.729  -2.652
  333    HB   VAL  45           HB       VAL  45  -1.392  -4.036  -2.787
  334   1HG1  VAL  45          1HG1      VAL  45  -1.450  -6.204  -0.652
  335   2HG1  VAL  45          2HG1      VAL  45  -2.400  -4.713  -0.685
  336   3HG1  VAL  45          3HG1      VAL  45  -2.694  -5.965  -1.891
  337   1HG2  VAL  45          1HG2      VAL  45   0.794  -3.455  -1.910
  338   2HG2  VAL  45          2HG2      VAL  45  -0.434  -3.358  -0.651
  339   3HG2  VAL  45          3HG2      VAL  45   0.673  -4.736  -0.685
  340    H    SER  46           H        SER  46  -1.696  -7.875  -3.329
  341    HA   SER  46           HA       SER  46  -3.522  -6.788  -5.451
  342   1HB   SER  46          1HB       SER  46  -2.922  -8.744  -6.488
  343   2HB   SER  46          2HB       SER  46  -2.622  -9.612  -5.039
  344    HG   SER  46           HG       SER  46  -5.021  -9.493  -4.741
  345    H    TYR  47           H        TYR  47  -5.291  -6.090  -4.636
  346    HA   TYR  47           HA       TYR  47  -6.370  -6.998  -2.085
  347   1HB   TYR  47          1HB       TYR  47  -6.380  -4.726  -1.163
  348   2HB   TYR  47          2HB       TYR  47  -4.873  -5.571  -1.209
  349    HD1  TYR  47           HD1      TYR  47  -5.413  -2.656  -0.638
  350    HD2  TYR  47           HD2      TYR  47  -4.031  -4.644  -4.209
  351    HE1  TYR  47           HE1      TYR  47  -3.938  -0.742  -1.173
  352    HE2  TYR  47           HE2      TYR  47  -2.708  -2.683  -4.801
  353    HH   TYR  47           HH       TYR  47  -2.614   0.242  -2.762
  354    H    HIS  48           H        HIS  48  -7.486  -7.542  -4.399
  355    HA   HIS  48           HA       HIS  48  -9.921  -5.858  -4.705
  356   1HB   HIS  48          1HB       HIS  48  -8.256  -6.774  -7.070
  357   2HB   HIS  48          2HB       HIS  48  -9.526  -5.567  -7.044
  358    HD2  HIS  48           HD2      HIS  48  -5.808  -6.121  -6.514
  359    HE1  HIS  48           HE1      HIS  48  -6.458  -1.962  -5.793
  360    HE2  HIS  48           HE2      HIS  48  -4.688  -3.734  -6.232
  361    H    GLY  49           H        GLY  49 -11.748  -7.055  -5.385
  362   1HA   GLY  49          1HA       GLY  49 -11.775  -9.425  -6.876
  363   2HA   GLY  49          2HA       GLY  49 -11.712  -9.952  -5.198
  364    H    GLU  50           H        GLU  50 -13.259  -8.113  -3.934
  365    HA   GLU  50           HA       GLU  50 -15.926  -7.937  -5.211
  366   1HB   GLU  50          1HB       GLU  50 -15.540  -8.265  -2.676
  367   2HB   GLU  50          2HB       GLU  50 -14.924  -6.618  -2.649
  368   1HG   GLU  50          1HG       GLU  50 -17.719  -7.519  -3.501
  369   2HG   GLU  50          2HG       GLU  50 -17.295  -6.758  -1.958
  370    H    THR  51           H        THR  51 -16.509  -5.970  -6.165
  371    HA   THR  51           HA       THR  51 -16.096  -4.521  -7.892
  372    HB   THR  51           HB       THR  51 -15.420  -3.088  -5.317
  373    HG1  THR  51           HG1      THR  51 -17.479  -3.991  -5.487
  374   1HG2  THR  51          1HG2      THR  51 -16.187  -1.035  -6.521
  375   2HG2  THR  51          2HG2      THR  51 -14.641  -1.608  -7.154
  376   3HG2  THR  51          3HG2      THR  51 -16.140  -1.929  -8.056
  377    H    THR  52           H        THR  52 -13.300  -3.861  -5.937
  378    HA   THR  52           HA       THR  52 -10.952  -3.886  -6.704
  379    HB   THR  52           HB       THR  52 -12.002  -2.582  -9.230
  380    HG1  THR  52           HG1      THR  52 -12.209  -4.746  -9.232
  381   1HG2  THR  52          1HG2      THR  52  -9.143  -3.279  -8.398
  382   2HG2  THR  52          2HG2      THR  52  -9.662  -2.628  -9.962
  383   3HG2  THR  52          3HG2      THR  52  -9.786  -1.625  -8.509
  384    HA   PRO  53           HA       PRO  53 -12.731  -0.226  -4.703
  385   1HB   PRO  53          1HB       PRO  53 -11.701  -0.434  -2.186
  386   2HB   PRO  53          2HB       PRO  53 -13.015  -1.486  -2.786
  387   1HG   PRO  53          1HG       PRO  53 -10.045  -2.116  -2.674
  388   2HG   PRO  53          2HG       PRO  53 -11.416  -3.128  -2.115
  389   1HD   PRO  53          1HD       PRO  53 -10.257  -3.466  -4.565
  390   2HD   PRO  53          2HD       PRO  53 -12.013  -3.703  -4.310
  391    H    GLN  54           H        GLN  54 -11.966   1.766  -5.132
  392    HA   GLN  54           HA       GLN  54  -9.256   2.390  -5.631
  393   1HB   GLN  54          1HB       GLN  54 -11.322   3.540  -6.486
  394   2HB   GLN  54          2HB       GLN  54 -11.494   4.329  -4.911
  395   1HG   GLN  54          1HG       GLN  54  -9.398   5.532  -5.223
  396   2HG   GLN  54          2HG       GLN  54  -8.994   4.565  -6.650
  397   1HE2  GLN  54          1HE2      GLN  54 -10.139   5.026  -8.694
  398   2HE2  GLN  54          2HE2      GLN  54 -11.094   6.506  -8.798
  399    H    ILE  55           H        ILE  55 -10.762   2.055  -2.633
  400    HA   ILE  55           HA       ILE  55  -9.152   3.398  -0.757
  401    HB   ILE  55           HB       ILE  55 -10.199   0.547  -0.718
  402   1HG1  ILE  55          1HG1      ILE  55 -12.076   2.007  -1.138
  403   2HG1  ILE  55          2HG1      ILE  55 -12.156   1.433   0.511
  404   1HG2  ILE  55          1HG2      ILE  55 -10.281   0.799   1.765
  405   2HG2  ILE  55          2HG2      ILE  55  -8.655   0.753   1.109
  406   3HG2  ILE  55          3HG2      ILE  55  -9.354   2.304   1.613
  407   1HD1  ILE  55          1HD1      ILE  55 -11.262   3.640   1.312
  408   2HD1  ILE  55          2HD1      ILE  55 -11.253   4.216  -0.370
  409   3HD1  ILE  55          3HD1      ILE  55 -12.779   3.783   0.412
  410    H    LEU  56           H        LEU  56  -8.142   1.103  -3.098
  411    HA   LEU  56           HA       LEU  56  -5.752   0.134  -2.065
  412   1HB   LEU  56          1HB       LEU  56  -5.138  -0.256  -4.340
  413   2HB   LEU  56          2HB       LEU  56  -6.873  -0.389  -4.252
  414    HG   LEU  56           HG       LEU  56  -6.740   2.198  -5.034
  415   1HD1  LEU  56          1HD1      LEU  56  -4.225   0.971  -6.267
  416   2HD1  LEU  56          2HD1      LEU  56  -4.910   2.567  -6.632
  417   3HD1  LEU  56          3HD1      LEU  56  -4.201   2.242  -5.045
  418   1HD2  LEU  56          1HD2      LEU  56  -6.315  -0.097  -6.986
  419   2HD2  LEU  56          2HD2      LEU  56  -7.875   0.354  -6.266
  420   3HD2  LEU  56          3HD2      LEU  56  -7.036   1.485  -7.335
  421    H    THR  57           H        THR  57  -6.456   3.409  -3.063
  422    HA   THR  57           HA       THR  57  -3.639   4.331  -2.572
  423    HB   THR  57           HB       THR  57  -6.065   5.746  -3.748
  424    HG1  THR  57           HG1      THR  57  -4.647   4.093  -4.830
  425   1HG2  THR  57          1HG2      THR  57  -3.226   6.766  -3.264
  426   2HG2  THR  57          2HG2      THR  57  -4.417   7.551  -4.325
  427   3HG2  THR  57          3HG2      THR  57  -4.722   7.440  -2.588
  428    H    ASP  58           H        ASP  58  -6.989   4.852  -1.365
  429    HA   ASP  58           HA       ASP  58  -6.592   6.739   0.630
  430   1HB   ASP  58          1HB       ASP  58  -8.706   5.535  -0.111
  431   2HB   ASP  58          2HB       ASP  58  -8.192   4.176   0.897
  432    H    ALA  59           H        ALA  59  -6.072   3.196   0.948
  433    HA   ALA  59           HA       ALA  59  -4.983   3.325   3.560
  434   1HB   ALA  59          1HB       ALA  59  -4.405   0.957   3.145
  435   2HB   ALA  59          2HB       ALA  59  -6.014   1.315   2.486
  436   3HB   ALA  59          3HB       ALA  59  -4.616   1.195   1.394
  437    H    VAL  60           H        VAL  60  -3.426   4.424   0.790
  438    HA   VAL  60           HA       VAL  60  -0.702   4.159   2.018
  439    HB   VAL  60           HB       VAL  60  -1.530   4.009  -0.663
  440   1HG1  VAL  60          1HG1      VAL  60  -0.575   5.748  -1.927
  441   2HG1  VAL  60          2HG1      VAL  60  -1.642   6.557  -0.773
  442   3HG1  VAL  60          3HG1      VAL  60   0.120   6.517  -0.500
  443   1HG2  VAL  60          1HG2      VAL  60   0.421   2.923   0.183
  444   2HG2  VAL  60          2HG2      VAL  60   0.889   3.940  -1.177
  445   3HG2  VAL  60          3HG2      VAL  60   1.236   4.485   0.478
  446    H    GLU  61           H        GLU  61  -3.277   6.543   1.379
  447    HA   GLU  61           HA       GLU  61  -1.672   8.801   2.247
  448   1HB   GLU  61          1HB       GLU  61  -3.711   8.837   0.720
  449   2HB   GLU  61          2HB       GLU  61  -4.673   8.506   2.159
  450   1HG   GLU  61          1HG       GLU  61  -4.816  10.766   2.076
  451   2HG   GLU  61          2HG       GLU  61  -3.423  10.599   3.162
  452    H    ARG  62           H        ARG  62  -3.731   6.405   3.893
  453    HA   ARG  62           HA       ARG  62  -3.914   7.472   6.443
  454   1HB   ARG  62          1HB       ARG  62  -4.352   5.317   7.189
  455   2HB   ARG  62          2HB       ARG  62  -4.706   5.214   5.487
  456   1HG   ARG  62          1HG       ARG  62  -3.505   3.288   5.730
  457   2HG   ARG  62          2HG       ARG  62  -2.221   4.398   5.256
  458   1HD   ARG  62          1HD       ARG  62  -1.401   2.932   6.922
  459   2HD   ARG  62          2HD       ARG  62  -1.454   4.506   7.645
  460    HE   ARG  62           HE       ARG  62  -3.115   2.157   8.260
  461   1HH1  ARG  62          1HH1      ARG  62  -2.574   5.613   9.000
  462   2HH1  ARG  62          2HH1      ARG  62  -3.626   5.560  10.376
  463   1HH2  ARG  62          1HH2      ARG  62  -4.532   2.228  10.003
  464   2HH2  ARG  62          2HH2      ARG  62  -4.765   3.706  10.888
  465    H    ALA  63           H        ALA  63  -0.949   6.666   4.888
  466    HA   ALA  63           HA       ALA  63   0.622   6.582   7.422
  467   1HB   ALA  63          1HB       ALA  63   2.399   5.736   5.873
  468   2HB   ALA  63          2HB       ALA  63   0.927   4.754   5.804
  469   3HB   ALA  63          3HB       ALA  63   1.293   5.925   4.515
  470    H    GLY  64           H        GLY  64  -0.438   8.928   5.308
  471   1HA   GLY  64          1HA       GLY  64   0.160  11.183   5.176
  472   2HA   GLY  64          2HA       GLY  64   1.820  10.798   5.732
  473    H    TYR  65           H        TYR  65   0.700   8.508   3.400
  474    HA   TYR  65           HA       TYR  65   2.792   9.679   1.649
  475   1HB   TYR  65          1HB       TYR  65   2.084   6.816   2.353
  476   2HB   TYR  65          2HB       TYR  65   3.335   7.293   1.247
  477    HD1  TYR  65           HD1      TYR  65   3.805   5.486   3.560
  478    HD2  TYR  65           HD2      TYR  65   4.126   9.781   3.321
  479    HE1  TYR  65           HE1      TYR  65   5.506   5.465   5.362
  480    HE2  TYR  65           HE2      TYR  65   5.746   9.767   5.162
  481    HH   TYR  65           HH       TYR  65   6.860   6.765   6.756
  482    H    HIS  66           H        HIS  66   2.863   8.960  -0.560
  483    HA   HIS  66           HA       HIS  66   0.203   8.516  -1.853
  484   1HB   HIS  66          1HB       HIS  66   2.268  10.428  -3.006
  485   2HB   HIS  66          2HB       HIS  66   0.600  10.237  -3.469
  486    HD1  HIS  66           HD1      HIS  66   2.772  12.273  -1.285
  487    HD2  HIS  66           HD2      HIS  66  -1.175  10.798  -1.187
  488    HE1  HIS  66           HE1      HIS  66   1.577  13.432   0.714
  489    HE2  HIS  66           HE2      HIS  66  -0.865  12.504   0.702
  490    H    ALA  67           H        ALA  67   0.687   8.166  -4.384
  491    HA   ALA  67           HA       ALA  67   2.403   5.721  -4.494
  492   1HB   ALA  67          1HB       ALA  67  -0.021   6.725  -6.074
  493   2HB   ALA  67          2HB       ALA  67   0.845   5.233  -6.429
  494   3HB   ALA  67          3HB       ALA  67   0.006   5.409  -4.874
  495    H    ARG  68           H        ARG  68   4.292   5.809  -5.625
  496    HA   ARG  68           HA       ARG  68   4.437   7.644  -7.987
  497   1HB   ARG  68          1HB       ARG  68   6.880   7.663  -7.763
  498   2HB   ARG  68          2HB       ARG  68   5.978   8.554  -6.556
  499   1HG   ARG  68          1HG       ARG  68   6.414   6.836  -4.868
  500   2HG   ARG  68          2HG       ARG  68   7.208   5.825  -6.064
  501   1HD   ARG  68          1HD       ARG  68   8.225   8.541  -5.168
  502   2HD   ARG  68          2HD       ARG  68   8.806   6.977  -4.578
  503    HE   ARG  68           HE       ARG  68   8.942   6.937  -7.400
  504   1HH1  ARG  68          1HH1      ARG  68  10.890   7.900  -4.629
  505   2HH1  ARG  68          2HH1      ARG  68  12.171   8.464  -5.583
  506   1HH2  ARG  68          1HH2      ARG  68  10.834   7.307  -8.556
  507   2HH2  ARG  68          2HH2      ARG  68  12.230   7.945  -7.731
  508    H    VAL  69           H        VAL  69   4.071   6.522  -9.690
  509    HA   VAL  69           HA       VAL  69   4.370   3.713  -9.835
  510    HB   VAL  69           HB       VAL  69   4.262   5.623 -12.211
  511   1HG1  VAL  69          1HG1      VAL  69   3.484   2.674 -11.985
  512   2HG1  VAL  69          2HG1      VAL  69   3.141   3.706 -13.391
  513   3HG1  VAL  69          3HG1      VAL  69   4.812   3.352 -12.956
  514   1HG2  VAL  69          1HG2      VAL  69   1.969   4.360 -10.634
  515   2HG2  VAL  69          2HG2      VAL  69   2.361   6.093 -10.726
  516   3HG2  VAL  69          3HG2      VAL  69   1.785   5.247 -12.162
  517    H    LEU  70           H        LEU  70   5.863   2.328 -10.610
  518    HA   LEU  70           HA       LEU  70   8.569   3.453 -10.777
  519   1HB   LEU  70          1HB       LEU  70   9.356   1.299 -10.188
  520   2HB   LEU  70          2HB       LEU  70   8.085   1.788  -9.110
  521    HG   LEU  70           HG       LEU  70   6.517   0.217 -10.395
  522   1HD1  LEU  70          1HD1      LEU  70   9.175  -0.770 -11.543
  523   2HD1  LEU  70          2HD1      LEU  70   7.679  -1.726 -11.515
  524   3HD1  LEU  70          3HD1      LEU  70   7.742  -0.251 -12.461
  525   1HD2  LEU  70          1HD2      LEU  70   7.340  -1.726  -9.133
  526   2HD2  LEU  70          2HD2      LEU  70   8.947  -0.983  -8.984
  527   3HD2  LEU  70          3HD2      LEU  70   7.550  -0.264  -8.165
  528    H    LYS  71           H        LYS  71  10.156   2.674 -12.306
  529    HA   LYS  71           HA       LYS  71   9.159   1.362 -14.732
  530   1HB   LYS  71          1HB       LYS  71  10.028   4.261 -14.703
  531   2HB   LYS  71          2HB       LYS  71  10.455   3.235 -16.071
  532   1HG   LYS  71          1HG       LYS  71   8.020   2.597 -16.290
  533   2HG   LYS  71          2HG       LYS  71   7.631   3.872 -15.117
  534   1HD   LYS  71          1HD       LYS  71   8.427   5.598 -16.581
  535   2HD   LYS  71          2HD       LYS  71   9.266   4.428 -17.605
  536   1HE   LYS  71          1HE       LYS  71   6.867   3.396 -17.959
  537   2HE   LYS  71          2HE       LYS  71   6.299   4.990 -17.445
  538   1HZ   LYS  71          1HZ       LYS  71   7.664   5.929 -19.267
  539   2HZ   LYS  71          2HZ       LYS  71   8.163   4.417 -19.696
  540   3HZ   LYS  71          3HZ       LYS  71   6.584   4.840 -19.865
  541    H    GLN  72           H        GLN  72  10.501  -0.167 -15.158
  542    HA   GLN  72           HA       GLN  72  13.454   0.304 -15.091
  543   1HB   GLN  72          1HB       GLN  72  12.454  -1.863 -14.192
  544   2HB   GLN  72          2HB       GLN  72  11.906  -2.219 -15.825
  545   1HG   GLN  72          1HG       GLN  72  14.428  -1.973 -16.507
  546   2HG   GLN  72          2HG       GLN  72  14.760  -1.988 -14.773
  547   1HE2  GLN  72          1HE2      GLN  72  14.676  -4.071 -13.687
  548   2HE2  GLN  72          2HE2      GLN  72  14.200  -5.516 -14.577
  549    H    GLN  73           H        GLN  73  12.695  -1.688 -17.636
  550    HA   GLN  73           HA       GLN  73  11.773  -1.393 -19.800
  551   1HB   GLN  73          1HB       GLN  73  12.833   1.450 -19.748
  552   2HB   GLN  73          2HB       GLN  73  12.116   0.663 -21.126
  553   1HG   GLN  73          1HG       GLN  73   9.941   0.775 -20.357
  554   2HG   GLN  73          2HG       GLN  73  10.392   0.770 -18.661
  555   1HE2  GLN  73          1HE2      GLN  73  12.099   2.896 -18.365
  556   2HE2  GLN  73          2HE2      GLN  73  11.325   4.399 -18.878
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1 -10.479  -8.386  -9.582
    2   2H    MET   1          2H        MET   1 -11.501  -8.695  -8.331
    3   3H    MET   1          3H        MET   1 -11.932  -9.133  -9.856
    4    HA   MET   1           HA       MET   1 -11.185 -11.039  -8.534
    5   1HB   MET   1          1HB       MET   1 -10.392 -10.363 -11.178
    6   2HB   MET   1          2HB       MET   1  -8.921 -10.941 -10.408
    7   1HG   MET   1          1HG       MET   1 -11.592 -12.384 -10.615
    8   2HG   MET   1          2HG       MET   1 -10.101 -12.773 -11.472
    9   1HE   MET   1          1HE       MET   1 -11.719 -15.041 -10.113
   10   2HE   MET   1          2HE       MET   1 -10.129 -15.292 -10.875
   11   3HE   MET   1          3HE       MET   1 -10.445 -15.927  -9.246
   12    H    ALA   2           H        ALA   2  -8.861 -12.129  -7.932
   13    HA   ALA   2           HA       ALA   2  -7.265 -10.272  -6.297
   14   1HB   ALA   2          1HB       ALA   2  -6.820 -13.172  -7.143
   15   2HB   ALA   2          2HB       ALA   2  -5.825 -12.262  -5.988
   16   3HB   ALA   2          3HB       ALA   2  -7.519 -12.619  -5.599
   17    H    GLN   3           H        GLN   3  -5.536  -9.114  -7.033
   18    HA   GLN   3           HA       GLN   3  -4.293  -9.458  -9.629
   19   1HB   GLN   3          1HB       GLN   3  -5.384  -7.524 -10.718
   20   2HB   GLN   3          2HB       GLN   3  -6.501  -8.838 -10.404
   21   1HG   GLN   3          1HG       GLN   3  -7.033  -7.423  -8.181
   22   2HG   GLN   3          2HG       GLN   3  -6.343  -6.119  -9.115
   23   1HE2  GLN   3          1HE2      GLN   3  -8.306  -4.940  -9.275
   24   2HE2  GLN   3          2HE2      GLN   3  -9.653  -5.532 -10.240
   25    H    THR   4           H        THR   4  -2.260  -8.561  -9.347
   26    HA   THR   4           HA       THR   4  -1.975  -6.784  -6.979
   27    HB   THR   4           HB       THR   4  -0.823  -8.902  -6.737
   28    HG1  THR   4           HG1      THR   4   1.348  -7.851  -6.547
   29   1HG2  THR   4          1HG2      THR   4   0.880  -8.042  -9.140
   30   2HG2  THR   4          2HG2      THR   4   1.173  -9.440  -8.081
   31   3HG2  THR   4          3HG2      THR   4  -0.260  -9.406  -9.118
   32    H    ILE   5           H        ILE   5  -0.788  -5.063  -6.924
   33    HA   ILE   5           HA       ILE   5   0.169  -3.830  -9.460
   34    HB   ILE   5           HB       ILE   5  -0.982  -2.396  -7.015
   35   1HG1  ILE   5          1HG1      ILE   5  -2.536  -1.319  -8.659
   36   2HG1  ILE   5          2HG1      ILE   5  -1.978  -2.430  -9.910
   37   1HG2  ILE   5          1HG2      ILE   5   0.966  -1.190  -7.913
   38   2HG2  ILE   5          2HG2      ILE   5   0.292  -1.269  -9.553
   39   3HG2  ILE   5          3HG2      ILE   5  -0.510  -0.310  -8.293
   40   1HD1  ILE   5          1HD1      ILE   5  -3.270  -3.389  -7.328
   41   2HD1  ILE   5          2HD1      ILE   5  -4.212  -2.924  -8.764
   42   3HD1  ILE   5          3HD1      ILE   5  -3.083  -4.273  -8.866
   43    H    ASN   6           H        ASN   6   2.259  -3.561  -9.430
   44    HA   ASN   6           HA       ASN   6   3.800  -3.379  -6.890
   45   1HB   ASN   6          1HB       ASN   6   5.776  -4.059  -8.406
   46   2HB   ASN   6          2HB       ASN   6   4.659  -5.291  -7.829
   47   1HD2  ASN   6          1HD2      ASN   6   4.541  -3.042 -10.704
   48   2HD2  ASN   6          2HD2      ASN   6   4.190  -4.384 -11.803
   49    H    LEU   7           H        LEU   7   4.673  -1.444  -6.491
   50    HA   LEU   7           HA       LEU   7   5.195   0.540  -8.597
   51   1HB   LEU   7          1HB       LEU   7   3.435   1.951  -8.200
   52   2HB   LEU   7          2HB       LEU   7   2.676   0.401  -8.165
   53    HG   LEU   7           HG       LEU   7   3.386   2.081  -5.717
   54   1HD1  LEU   7          1HD1      LEU   7   1.581   3.038  -7.071
   55   2HD1  LEU   7          2HD1      LEU   7   0.713   1.486  -7.042
   56   3HD1  LEU   7          3HD1      LEU   7   0.958   2.398  -5.539
   57   1HD2  LEU   7          1HD2      LEU   7   1.957   0.472  -4.460
   58   2HD2  LEU   7          2HD2      LEU   7   1.864  -0.562  -5.898
   59   3HD2  LEU   7          3HD2      LEU   7   3.422  -0.283  -5.097
   60    H    GLN   8           H        GLN   8   5.573   2.804  -7.371
   61    HA   GLN   8           HA       GLN   8   7.325   2.377  -4.994
   62   1HB   GLN   8          1HB       GLN   8   7.575   4.091  -7.394
   63   2HB   GLN   8          2HB       GLN   8   7.874   4.919  -5.863
   64   1HG   GLN   8          1HG       GLN   8   9.581   3.305  -5.243
   65   2HG   GLN   8          2HG       GLN   8   9.247   2.318  -6.644
   66   1HE2  GLN   8          1HE2      GLN   8  11.257   5.024  -5.548
   67   2HE2  GLN   8          2HE2      GLN   8  11.808   5.401  -7.131
   68    H    LEU   9           H        LEU   9   7.308   3.988  -3.368
   69    HA   LEU   9           HA       LEU   9   4.533   4.986  -2.870
   70   1HB   LEU   9          1HB       LEU   9   5.199   2.713  -2.010
   71   2HB   LEU   9          2HB       LEU   9   6.370   3.481  -0.962
   72    HG   LEU   9           HG       LEU   9   3.419   4.225  -0.880
   73   1HD1  LEU   9          1HD1      LEU   9   3.532   1.796  -0.646
   74   2HD1  LEU   9          2HD1      LEU   9   4.812   1.938   0.583
   75   3HD1  LEU   9          3HD1      LEU   9   3.166   2.516   0.920
   76   1HD2  LEU   9          1HD2      LEU   9   5.594   4.309   1.258
   77   2HD2  LEU   9          2HD2      LEU   9   4.939   5.711   0.382
   78   3HD2  LEU   9          3HD2      LEU   9   3.890   4.786   1.462
   79    H    GLU  10           H        GLU  10   4.845   7.137  -3.040
   80    HA   GLU  10           HA       GLU  10   7.440   8.316  -2.329
   81   1HB   GLU  10          1HB       GLU  10   5.121   9.039  -4.115
   82   2HB   GLU  10          2HB       GLU  10   6.213  10.322  -3.586
   83   1HG   GLU  10          1HG       GLU  10   8.170   9.054  -4.403
   84   2HG   GLU  10          2HG       GLU  10   7.109   7.747  -4.939
   85    H    GLY  11           H        GLY  11   7.764  10.222  -1.256
   86   1HA   GLY  11          1HA       GLY  11   7.402  11.854   0.394
   87   2HA   GLY  11          2HA       GLY  11   5.690  11.361   0.511
   88    H    MET  12           H        MET  12   7.331   8.538   0.676
   89    HA   MET  12           HA       MET  12   6.843   8.023   3.373
   90   1HB   MET  12          1HB       MET  12   7.899   5.910   3.024
   91   2HB   MET  12          2HB       MET  12   7.006   6.356   1.578
   92   1HG   MET  12          1HG       MET  12   8.962   5.543   0.670
   93   2HG   MET  12          2HG       MET  12   9.280   7.261   0.680
   94   1HE   MET  12          1HE       MET  12  12.826   6.776   1.530
   95   2HE   MET  12          2HE       MET  12  11.682   6.661   0.176
   96   3HE   MET  12          3HE       MET  12  11.600   8.044   1.269
   97    H    ARG  13           H        ARG  13   8.174   7.693   5.196
   98    HA   ARG  13           HA       ARG  13  10.905   8.677   5.184
   99   1HB   ARG  13          1HB       ARG  13   9.019  10.689   5.203
  100   2HB   ARG  13          2HB       ARG  13   9.195  10.413   6.923
  101   1HG   ARG  13          1HG       ARG  13  10.711  12.147   6.294
  102   2HG   ARG  13          2HG       ARG  13  11.702  10.726   6.637
  103   1HD   ARG  13          1HD       ARG  13  11.847  10.260   4.180
  104   2HD   ARG  13          2HD       ARG  13  10.853  11.672   3.850
  105    HE   ARG  13           HE       ARG  13  13.673  11.555   4.674
  106   1HH1  ARG  13          1HH1      ARG  13  10.925  13.728   4.238
  107   2HH1  ARG  13          2HH1      ARG  13  11.913  15.160   4.292
  108   1HH2  ARG  13          1HH2      ARG  13  14.908  13.426   4.677
  109   2HH2  ARG  13          2HH2      ARG  13  14.147  14.982   4.557
  110    H    CYS  14           H        CYS  14   8.378   7.139   7.111
  111    HA   CYS  14           HA       CYS  14  10.473   6.630   9.182
  112   1HB   CYS  14          1HB       CYS  14   9.026   8.488   9.920
  113   2HB   CYS  14          2HB       CYS  14   7.597   7.447   9.786
  114    HG   CYS  14           HG       CYS  14   8.306   5.692  11.592
  115    H    ALA  15           H        ALA  15  10.656   4.666   9.909
  116    HA   ALA  15           HA       ALA  15   9.254   2.411   8.805
  117   1HB   ALA  15          1HB       ALA  15  10.885   1.144  10.134
  118   2HB   ALA  15          2HB       ALA  15  11.686   2.446   9.243
  119   3HB   ALA  15          3HB       ALA  15  11.372   2.618  10.990
  120    H    ALA  16           H        ALA  16   7.256   3.652   9.822
  121    HA   ALA  16           HA       ALA  16   6.082   1.804  11.744
  122   1HB   ALA  16          1HB       ALA  16   7.182   3.363  13.324
  123   2HB   ALA  16          2HB       ALA  16   6.383   4.748  12.548
  124   3HB   ALA  16          3HB       ALA  16   5.424   3.522  13.404
  125    H    CYS  17           H        CYS  17   5.681   5.068  10.277
  126    HA   CYS  17           HA       CYS  17   2.985   4.998   9.542
  127   1HB   CYS  17          1HB       CYS  17   5.392   6.172   8.074
  128   2HB   CYS  17          2HB       CYS  17   3.719   6.718   7.915
  129    HG   CYS  17           HG       CYS  17   3.405   7.671  10.272
  130    H    ALA  18           H        ALA  18   5.770   3.406   7.922
  131    HA   ALA  18           HA       ALA  18   4.443   2.910   5.436
  132   1HB   ALA  18          1HB       ALA  18   6.902   2.979   5.753
  133   2HB   ALA  18          2HB       ALA  18   6.826   1.517   6.764
  134   3HB   ALA  18          3HB       ALA  18   6.382   1.443   5.050
  135    H    SER  19           H        SER  19   5.267   0.396   7.946
  136    HA   SER  19           HA       SER  19   3.320  -1.385   6.839
  137   1HB   SER  19          1HB       SER  19   4.687  -1.499   9.535
  138   2HB   SER  19          2HB       SER  19   3.749  -2.813   8.783
  139    HG   SER  19           HG       SER  19   5.154  -2.758   6.992
  140    H    SER  20           H        SER  20   2.729   1.285   8.858
  141    HA   SER  20           HA       SER  20   0.130   0.436   9.863
  142   1HB   SER  20          1HB       SER  20   1.253   3.193   9.243
  143   2HB   SER  20          2HB       SER  20  -0.316   2.885   9.980
  144    HG   SER  20           HG       SER  20   2.249   2.327  11.026
  145    H    ILE  21           H        ILE  21   1.271   1.208   6.674
  146    HA   ILE  21           HA       ILE  21  -1.367   1.603   5.414
  147    HB   ILE  21           HB       ILE  21   1.329   0.814   4.221
  148   1HG1  ILE  21          1HG1      ILE  21   0.084   3.596   4.349
  149   2HG1  ILE  21          2HG1      ILE  21   1.339   3.044   5.418
  150   1HG2  ILE  21          1HG2      ILE  21  -1.188   1.753   2.846
  151   2HG2  ILE  21          2HG2      ILE  21   0.392   1.543   2.072
  152   3HG2  ILE  21          3HG2      ILE  21  -0.439   0.156   2.752
  153   1HD1  ILE  21          1HD1      ILE  21   2.858   2.678   3.490
  154   2HD1  ILE  21          2HD1      ILE  21   1.614   3.401   2.440
  155   3HD1  ILE  21          3HD1      ILE  21   2.339   4.362   3.726
  156    H    GLU  22           H        GLU  22   1.061  -1.017   5.427
  157    HA   GLU  22           HA       GLU  22  -0.394  -3.027   4.188
  158   1HB   GLU  22          1HB       GLU  22   1.683  -3.333   6.400
  159   2HB   GLU  22          2HB       GLU  22   1.218  -4.580   5.236
  160   1HG   GLU  22          1HG       GLU  22   2.066  -3.206   3.373
  161   2HG   GLU  22          2HG       GLU  22   2.467  -1.893   4.473
  162    H    ARG  23           H        ARG  23  -0.194  -2.464   7.758
  163    HA   ARG  23           HA       ARG  23  -2.176  -4.454   8.347
  164   1HB   ARG  23          1HB       ARG  23  -0.354  -3.441   9.844
  165   2HB   ARG  23          2HB       ARG  23  -1.481  -2.117  10.158
  166   1HG   ARG  23          1HG       ARG  23  -3.158  -3.700  11.024
  167   2HG   ARG  23          2HG       ARG  23  -2.165  -5.079  10.523
  168   1HD   ARG  23          1HD       ARG  23  -0.429  -4.402  12.159
  169   2HD   ARG  23          2HD       ARG  23  -1.467  -3.047  12.668
  170    HE   ARG  23           HE       ARG  23  -2.825  -5.618  12.736
  171   1HH1  ARG  23          1HH1      ARG  23  -0.701  -3.575  14.682
  172   2HH1  ARG  23          2HH1      ARG  23  -1.154  -4.356  16.167
  173   1HH2  ARG  23          1HH2      ARG  23  -3.356  -6.597  14.666
  174   2HH2  ARG  23          2HH2      ARG  23  -2.626  -6.071  16.151
  175    H    ALA  24           H        ALA  24  -2.594  -1.259   7.124
  176    HA   ALA  24           HA       ALA  24  -5.405  -1.058   8.029
  177   1HB   ALA  24          1HB       ALA  24  -5.518   0.945   6.608
  178   2HB   ALA  24          2HB       ALA  24  -4.156   1.035   7.742
  179   3HB   ALA  24          3HB       ALA  24  -3.879   0.660   6.030
  180    H    ILE  25           H        ILE  25  -3.584  -1.982   5.095
  181    HA   ILE  25           HA       ILE  25  -5.928  -2.558   3.472
  182    HB   ILE  25           HB       ILE  25  -3.039  -3.502   3.253
  183   1HG1  ILE  25          1HG1      ILE  25  -4.444  -1.296   1.675
  184   2HG1  ILE  25          2HG1      ILE  25  -3.454  -0.984   3.094
  185   1HG2  ILE  25          1HG2      ILE  25  -5.392  -3.649   1.307
  186   2HG2  ILE  25          2HG2      ILE  25  -3.700  -3.970   0.856
  187   3HG2  ILE  25          3HG2      ILE  25  -4.500  -5.008   2.007
  188   1HD1  ILE  25          1HD1      ILE  25  -2.444  -2.203   0.503
  189   2HD1  ILE  25          2HD1      ILE  25  -2.123  -0.589   1.135
  190   3HD1  ILE  25          3HD1      ILE  25  -1.486  -2.012   1.988
  191    H    ALA  26           H        ALA  26  -3.980  -4.500   5.713
  192    HA   ALA  26           HA       ALA  26  -4.928  -7.033   5.321
  193   1HB   ALA  26          1HB       ALA  26  -4.536  -5.666   8.009
  194   2HB   ALA  26          2HB       ALA  26  -4.473  -7.412   7.696
  195   3HB   ALA  26          3HB       ALA  26  -3.245  -6.346   6.982
  196    H    LYS  27           H        LYS  27  -7.119  -4.463   6.248
  197    HA   LYS  27           HA       LYS  27  -9.212  -6.380   7.092
  198   1HB   LYS  27          1HB       LYS  27  -9.256  -3.355   6.807
  199   2HB   LYS  27          2HB       LYS  27 -10.536  -4.362   7.477
  200   1HG   LYS  27          1HG       LYS  27  -9.588  -3.811   9.431
  201   2HG   LYS  27          2HG       LYS  27  -8.644  -5.246   9.104
  202   1HD   LYS  27          1HD       LYS  27  -7.042  -3.780   9.796
  203   2HD   LYS  27          2HD       LYS  27  -6.904  -3.522   8.076
  204   1HE   LYS  27          1HE       LYS  27  -8.503  -1.790  10.029
  205   2HE   LYS  27          2HE       LYS  27  -6.894  -1.412   9.404
  206   1HZ   LYS  27          1HZ       LYS  27  -7.884  -1.400   7.153
  207   2HZ   LYS  27          2HZ       LYS  27  -9.374  -1.596   7.800
  208   3HZ   LYS  27          3HZ       LYS  27  -8.523  -0.225   8.111
  209    H    VAL  28           H        VAL  28  -8.104  -5.270   4.080
  210    HA   VAL  28           HA       VAL  28 -10.755  -4.969   2.804
  211    HB   VAL  28           HB       VAL  28  -7.931  -5.031   1.631
  212   1HG1  VAL  28          1HG1      VAL  28 -10.591  -4.270   0.329
  213   2HG1  VAL  28          2HG1      VAL  28  -8.997  -4.041  -0.397
  214   3HG1  VAL  28          3HG1      VAL  28  -9.585  -5.679  -0.087
  215   1HG2  VAL  28          1HG2      VAL  28  -8.292  -3.030   3.055
  216   2HG2  VAL  28          2HG2      VAL  28  -8.209  -2.583   1.349
  217   3HG2  VAL  28          3HG2      VAL  28  -9.784  -2.662   2.168
  218    HA   PRO  29           HA       PRO  29 -11.049  -9.297   2.747
  219   1HB   PRO  29          1HB       PRO  29 -12.845  -9.812   0.664
  220   2HB   PRO  29          2HB       PRO  29 -13.289  -9.217   2.294
  221   1HG   PRO  29          1HG       PRO  29 -12.817  -7.593  -0.225
  222   2HG   PRO  29          2HG       PRO  29 -14.180  -7.469   0.935
  223   1HD   PRO  29          1HD       PRO  29 -12.099  -5.768   1.080
  224   2HD   PRO  29          2HD       PRO  29 -12.783  -6.451   2.586
  225    H    GLY  30           H        GLY  30 -10.366  -7.782  -0.391
  226   1HA   GLY  30          1HA       GLY  30  -9.254 -10.163  -1.615
  227   2HA   GLY  30          2HA       GLY  30  -9.228  -8.494  -2.219
  228    H    VAL  31           H        VAL  31  -7.834  -8.618   0.870
  229    HA   VAL  31           HA       VAL  31  -5.136  -8.058  -0.155
  230    HB   VAL  31           HB       VAL  31  -5.980  -6.977   1.833
  231   1HG1  VAL  31          1HG1      VAL  31  -6.421  -7.890   3.888
  232   2HG1  VAL  31          2HG1      VAL  31  -7.013  -9.214   2.875
  233   3HG1  VAL  31          3HG1      VAL  31  -5.418  -9.326   3.628
  234   1HG2  VAL  31          1HG2      VAL  31  -3.575  -7.191   1.329
  235   2HG2  VAL  31          2HG2      VAL  31  -3.873  -7.114   3.079
  236   3HG2  VAL  31          3HG2      VAL  31  -3.482  -8.664   2.309
  237    H    GLN  32           H        GLN  32  -4.588  -9.813  -1.362
  238    HA   GLN  32           HA       GLN  32  -4.360 -12.480  -0.042
  239   1HB   GLN  32          1HB       GLN  32  -3.825 -13.408  -2.162
  240   2HB   GLN  32          2HB       GLN  32  -5.195 -12.329  -2.349
  241   1HG   GLN  32          1HG       GLN  32  -4.075 -11.571  -4.138
  242   2HG   GLN  32          2HG       GLN  32  -3.239 -10.573  -2.963
  243   1HE2  GLN  32          1HE2      GLN  32  -1.508 -13.010  -1.969
  244   2HE2  GLN  32          2HE2      GLN  32  -0.398 -13.143  -3.333
  245    H    SER  33           H        SER  33  -2.374  -9.677  -0.554
  246    HA   SER  33           HA       SER  33  -0.674 -10.429   1.511
  247   1HB   SER  33          1HB       SER  33   0.485 -11.064  -1.207
  248   2HB   SER  33          2HB       SER  33   1.528 -10.409   0.063
  249    HG   SER  33           HG       SER  33  -0.169 -12.663   0.341
  250    H    CYS  34           H        CYS  34   0.683  -8.716   2.144
  251    HA   CYS  34           HA       CYS  34   0.920  -6.312   0.378
  252   1HB   CYS  34          1HB       CYS  34   0.482  -6.451   3.426
  253   2HB   CYS  34          2HB       CYS  34   0.973  -4.997   2.553
  254    HG   CYS  34           HG       CYS  34  -1.568  -6.565   1.323
  255    H    GLN  35           H        GLN  35   3.032  -5.872  -0.003
  256    HA   GLN  35           HA       GLN  35   4.915  -6.014   2.244
  257   1HB   GLN  35          1HB       GLN  35   5.392  -7.420  -0.421
  258   2HB   GLN  35          2HB       GLN  35   6.709  -6.751   0.526
  259   1HG   GLN  35          1HG       GLN  35   6.841  -8.746   1.477
  260   2HG   GLN  35          2HG       GLN  35   5.511  -8.220   2.483
  261   1HE2  GLN  35          1HE2      GLN  35   3.446  -9.285   2.165
  262   2HE2  GLN  35          2HE2      GLN  35   3.405 -10.769   1.177
  263    H    VAL  36           H        VAL  36   5.485  -3.975   2.438
  264    HA   VAL  36           HA       VAL  36   6.366  -2.404   0.071
  265    HB   VAL  36           HB       VAL  36   6.510  -0.472   1.422
  266   1HG1  VAL  36          1HG1      VAL  36   3.955  -1.851   2.327
  267   2HG1  VAL  36          2HG1      VAL  36   4.248  -0.110   2.188
  268   3HG1  VAL  36          3HG1      VAL  36   4.197  -1.124   0.738
  269   1HG2  VAL  36          1HG2      VAL  36   5.929  -0.463   3.880
  270   2HG2  VAL  36          2HG2      VAL  36   6.143  -2.222   3.868
  271   3HG2  VAL  36          3HG2      VAL  36   7.502  -1.154   3.467
  272    H    ASN  37           H        ASN  37   8.525  -1.726  -0.137
  273    HA   ASN  37           HA       ASN  37  10.470  -3.200   1.623
  274   1HB   ASN  37          1HB       ASN  37  10.466  -3.794  -0.833
  275   2HB   ASN  37          2HB       ASN  37  11.068  -2.154  -1.149
  276   1HD2  ASN  37          1HD2      ASN  37  11.844  -5.313   0.168
  277   2HD2  ASN  37          2HD2      ASN  37  13.539  -4.954   0.493
  278    H    PHE  38           H        PHE  38  10.683  -1.741   3.274
  279    HA   PHE  38           HA       PHE  38  11.016   1.086   2.798
  280   1HB   PHE  38          1HB       PHE  38   9.863  -0.077   4.777
  281   2HB   PHE  38          2HB       PHE  38  11.480  -0.333   5.430
  282    HD1  PHE  38           HD1      PHE  38   9.108   2.276   4.160
  283    HD2  PHE  38           HD2      PHE  38  12.606   1.499   6.559
  284    HE1  PHE  38           HE1      PHE  38   9.146   4.650   4.862
  285    HE2  PHE  38           HE2      PHE  38  12.643   3.873   7.267
  286    HZ   PHE  38           HZ       PHE  38  10.941   5.456   6.405
  287    H    ALA  39           H        ALA  39  12.836   0.120   1.283
  288    HA   ALA  39           HA       ALA  39  15.286   1.397   2.177
  289   1HB   ALA  39          1HB       ALA  39  16.759  -0.513   1.615
  290   2HB   ALA  39          2HB       ALA  39  15.699  -0.908   2.982
  291   3HB   ALA  39          3HB       ALA  39  15.343  -1.554   1.364
  292    H    LEU  40           H        LEU  40  13.711  -0.584  -0.495
  293    HA   LEU  40           HA       LEU  40  14.753   1.343  -2.461
  294   1HB   LEU  40          1HB       LEU  40  15.747  -0.801  -2.561
  295   2HB   LEU  40          2HB       LEU  40  14.240  -1.638  -2.220
  296    HG   LEU  40           HG       LEU  40  13.388  -1.208  -4.305
  297   1HD1  LEU  40          1HD1      LEU  40  16.038   0.149  -5.048
  298   2HD1  LEU  40          2HD1      LEU  40  14.741  -0.232  -6.201
  299   3HD1  LEU  40          3HD1      LEU  40  14.471   0.972  -4.936
  300   1HD2  LEU  40          1HD2      LEU  40  16.189  -2.366  -4.500
  301   2HD2  LEU  40          2HD2      LEU  40  14.720  -3.223  -3.982
  302   3HD2  LEU  40          3HD2      LEU  40  14.873  -2.665  -5.656
  303    H    GLU  41           H        GLU  41  12.412   1.789  -0.788
  304    HA   GLU  41           HA       GLU  41  10.458   2.893  -0.915
  305   1HB   GLU  41          1HB       GLU  41  11.477   3.369  -3.734
  306   2HB   GLU  41          2HB       GLU  41  10.194   4.295  -2.951
  307   1HG   GLU  41          1HG       GLU  41  11.837   4.874  -1.111
  308   2HG   GLU  41          2HG       GLU  41  13.113   4.211  -2.150
  309    H    GLN  42           H        GLN  42  10.395   0.050  -2.751
  310    HA   GLN  42           HA       GLN  42   7.994   0.678  -4.175
  311   1HB   GLN  42          1HB       GLN  42   8.026  -1.532  -5.037
  312   2HB   GLN  42          2HB       GLN  42   9.671  -0.977  -4.941
  313   1HG   GLN  42          1HG       GLN  42   9.250  -2.238  -2.425
  314   2HG   GLN  42          2HG       GLN  42   8.165  -3.151  -3.431
  315   1HE2  GLN  42          1HE2      GLN  42  11.546  -1.814  -3.770
  316   2HE2  GLN  42          2HE2      GLN  42  12.202  -3.383  -4.204
  317    H    ALA  43           H        ALA  43   6.061  -0.593  -4.126
  318    HA   ALA  43           HA       ALA  43   5.645  -2.349  -1.808
  319   1HB   ALA  43          1HB       ALA  43   4.317  -0.290  -1.323
  320   2HB   ALA  43          2HB       ALA  43   3.414  -0.540  -2.825
  321   3HB   ALA  43          3HB       ALA  43   3.310  -1.740  -1.520
  322    H    VAL  44           H        VAL  44   4.529  -4.200  -2.241
  323    HA   VAL  44           HA       VAL  44   3.255  -4.433  -4.892
  324    HB   VAL  44           HB       VAL  44   5.246  -5.789  -5.114
  325   1HG1  VAL  44          1HG1      VAL  44   4.322  -7.496  -2.763
  326   2HG1  VAL  44          2HG1      VAL  44   5.724  -7.771  -3.806
  327   3HG1  VAL  44          3HG1      VAL  44   5.696  -6.365  -2.735
  328   1HG2  VAL  44          1HG2      VAL  44   3.148  -6.503  -6.202
  329   2HG2  VAL  44          2HG2      VAL  44   4.215  -7.867  -5.826
  330   3HG2  VAL  44          3HG2      VAL  44   2.789  -7.559  -4.816
  331    H    VAL  45           H        VAL  45   1.169  -4.889  -4.707
  332    HA   VAL  45           HA       VAL  45   0.195  -6.482  -2.413
  333    HB   VAL  45           HB       VAL  45  -1.102  -3.786  -2.933
  334   1HG1  VAL  45          1HG1      VAL  45  -2.521  -5.567  -1.916
  335   2HG1  VAL  45          2HG1      VAL  45  -1.370  -5.680  -0.584
  336   3HG1  VAL  45          3HG1      VAL  45  -2.268  -4.183  -0.844
  337   1HG2  VAL  45          1HG2      VAL  45   0.786  -4.347  -0.625
  338   2HG2  VAL  45          2HG2      VAL  45   1.064  -3.214  -1.969
  339   3HG2  VAL  45          3HG2      VAL  45  -0.239  -2.918  -0.822
  340    H    SER  46           H        SER  46  -1.451  -7.715  -2.984
  341    HA   SER  46           HA       SER  46  -3.321  -6.728  -5.097
  342   1HB   SER  46          1HB       SER  46  -2.791  -8.677  -6.157
  343   2HB   SER  46          2HB       SER  46  -2.456  -9.564  -4.732
  344    HG   SER  46           HG       SER  46  -4.827  -9.452  -4.338
  345    H    TYR  47           H        TYR  47  -5.009  -6.044  -4.251
  346    HA   TYR  47           HA       TYR  47  -6.039  -6.838  -1.617
  347   1HB   TYR  47          1HB       TYR  47  -6.059  -4.503  -0.876
  348   2HB   TYR  47          2HB       TYR  47  -4.521  -5.290  -0.927
  349    HD1  TYR  47           HD1      TYR  47  -5.126  -2.373  -0.543
  350    HD2  TYR  47           HD2      TYR  47  -3.925  -4.546  -4.074
  351    HE1  TYR  47           HE1      TYR  47  -3.813  -0.438  -1.320
  352    HE2  TYR  47           HE2      TYR  47  -2.747  -2.579  -4.897
  353    HH   TYR  47           HH       TYR  47  -2.644   0.478  -3.049
  354    H    HIS  48           H        HIS  48  -7.207  -7.527  -3.869
  355    HA   HIS  48           HA       HIS  48  -9.771  -6.073  -3.901
  356   1HB   HIS  48          1HB       HIS  48  -8.535  -6.799  -6.551
  357   2HB   HIS  48          2HB       HIS  48  -9.785  -5.622  -6.206
  358    HD2  HIS  48           HD2      HIS  48  -5.958  -6.146  -6.004
  359    HE1  HIS  48           HE1      HIS  48  -6.613  -1.926  -5.953
  360    HE2  HIS  48           HE2      HIS  48  -4.836  -3.753  -6.101
  361    H    GLY  49           H        GLY  49 -11.449  -7.583  -4.090
  362   1HA   GLY  49          1HA       GLY  49 -10.842 -10.335  -5.192
  363   2HA   GLY  49          2HA       GLY  49 -12.146  -9.919  -4.047
  364    H    GLU  50           H        GLU  50 -12.847  -7.499  -5.274
  365    HA   GLU  50           HA       GLU  50 -14.757  -8.624  -7.244
  366   1HB   GLU  50          1HB       GLU  50 -16.484  -7.675  -5.770
  367   2HB   GLU  50          2HB       GLU  50 -15.517  -8.912  -5.008
  368   1HG   GLU  50          1HG       GLU  50 -15.248  -5.919  -4.458
  369   2HG   GLU  50          2HG       GLU  50 -16.088  -7.096  -3.458
  370    H    THR  51           H        THR  51 -16.010  -5.759  -6.315
  371    HA   THR  51           HA       THR  51 -15.443  -4.436  -8.822
  372    HB   THR  51           HB       THR  51 -16.938  -3.410  -6.369
  373    HG1  THR  51           HG1      THR  51 -18.741  -4.248  -7.445
  374   1HG2  THR  51          1HG2      THR  51 -18.173  -2.049  -8.046
  375   2HG2  THR  51          2HG2      THR  51 -16.452  -1.641  -8.028
  376   3HG2  THR  51          3HG2      THR  51 -17.106  -2.664  -9.329
  377    H    THR  52           H        THR  52 -13.627  -3.411  -9.129
  378    HA   THR  52           HA       THR  52 -11.433  -2.920  -7.954
  379    HB   THR  52           HB       THR  52 -12.693  -0.618  -9.466
  380    HG1  THR  52           HG1      THR  52 -12.204  -1.781 -11.286
  381   1HG2  THR  52          1HG2      THR  52  -9.848  -1.751  -9.364
  382   2HG2  THR  52          2HG2      THR  52 -10.400  -0.417 -10.403
  383   3HG2  THR  52          3HG2      THR  52 -10.379  -0.214  -8.646
  384    HA   PRO  53           HA       PRO  53 -12.841  -0.496  -4.342
  385   1HB   PRO  53          1HB       PRO  53 -11.132  -1.483  -2.434
  386   2HB   PRO  53          2HB       PRO  53 -12.602  -2.338  -2.989
  387   1HG   PRO  53          1HG       PRO  53  -9.746  -2.756  -3.917
  388   2HG   PRO  53          2HG       PRO  53 -10.944  -3.993  -3.421
  389   1HD   PRO  53          1HD       PRO  53 -10.534  -3.385  -6.042
  390   2HD   PRO  53          2HD       PRO  53 -12.159  -3.767  -5.420
  391    H    GLN  54           H        GLN  54 -12.220   1.518  -4.981
  392    HA   GLN  54           HA       GLN  54  -9.597   2.382  -5.497
  393   1HB   GLN  54          1HB       GLN  54 -11.806   3.382  -6.207
  394   2HB   GLN  54          2HB       GLN  54 -11.924   4.136  -4.612
  395   1HG   GLN  54          1HG       GLN  54  -9.975   5.509  -5.048
  396   2HG   GLN  54          2HG       GLN  54  -9.540   4.552  -6.472
  397   1HE2  GLN  54          1HE2      GLN  54 -10.728   4.901  -8.491
  398   2HE2  GLN  54          2HE2      GLN  54 -11.840   6.268  -8.592
  399    H    ILE  55           H        ILE  55 -10.955   1.788  -2.474
  400    HA   ILE  55           HA       ILE  55  -9.367   3.117  -0.578
  401    HB   ILE  55           HB       ILE  55 -10.217   0.187  -0.708
  402   1HG1  ILE  55          1HG1      ILE  55 -11.976   0.979   0.989
  403   2HG1  ILE  55          2HG1      ILE  55 -11.613   2.625   0.492
  404   1HG2  ILE  55          1HG2      ILE  55  -8.482   0.432   0.993
  405   2HG2  ILE  55          2HG2      ILE  55  -9.316   1.844   1.686
  406   3HG2  ILE  55          3HG2      ILE  55 -10.033   0.221   1.777
  407   1HD1  ILE  55          1HD1      ILE  55 -12.576   2.215  -1.698
  408   2HD1  ILE  55          2HD1      ILE  55 -12.564   0.447  -1.432
  409   3HD1  ILE  55          3HD1      ILE  55 -13.663   1.496  -0.519
  410    H    LEU  56           H        LEU  56  -8.314   0.969  -3.120
  411    HA   LEU  56           HA       LEU  56  -5.837   0.108  -2.260
  412   1HB   LEU  56          1HB       LEU  56  -5.271  -0.111  -4.570
  413   2HB   LEU  56          2HB       LEU  56  -6.984  -0.400  -4.396
  414    HG   LEU  56           HG       LEU  56  -7.163   2.192  -5.086
  415   1HD1  LEU  56          1HD1      LEU  56  -4.553   1.316  -6.427
  416   2HD1  LEU  56          2HD1      LEU  56  -5.457   2.805  -6.766
  417   3HD1  LEU  56          3HD1      LEU  56  -4.673   2.585  -5.202
  418   1HD2  LEU  56          1HD2      LEU  56  -7.435   1.518  -7.422
  419   2HD2  LEU  56          2HD2      LEU  56  -6.549   0.009  -7.123
  420   3HD2  LEU  56          3HD2      LEU  56  -8.128   0.288  -6.360
  421    H    THR  57           H        THR  57  -6.728   3.403  -3.065
  422    HA   THR  57           HA       THR  57  -3.932   4.311  -2.534
  423    HB   THR  57           HB       THR  57  -5.142   5.068  -4.624
  424    HG1  THR  57           HG1      THR  57  -4.022   6.845  -2.735
  425   1HG2  THR  57          1HG2      THR  57  -6.416   7.081  -2.711
  426   2HG2  THR  57          2HG2      THR  57  -6.478   7.085  -4.482
  427   3HG2  THR  57          3HG2      THR  57  -7.307   5.810  -3.573
  428    H    ASP  58           H        ASP  58  -7.083   4.364  -0.979
  429    HA   ASP  58           HA       ASP  58  -6.792   6.569   0.815
  430   1HB   ASP  58          1HB       ASP  58  -8.891   5.402   0.696
  431   2HB   ASP  58          2HB       ASP  58  -8.117   3.850   0.985
  432    H    ALA  59           H        ALA  59  -5.698   3.185   1.113
  433    HA   ALA  59           HA       ALA  59  -4.635   3.528   3.671
  434   1HB   ALA  59          1HB       ALA  59  -5.195   1.333   2.641
  435   2HB   ALA  59          2HB       ALA  59  -3.817   1.505   1.526
  436   3HB   ALA  59          3HB       ALA  59  -3.537   1.330   3.278
  437    H    VAL  60           H        VAL  60  -3.080   4.614   0.757
  438    HA   VAL  60           HA       VAL  60  -0.438   4.750   2.149
  439    HB   VAL  60           HB       VAL  60   0.357   6.071   0.237
  440   1HG1  VAL  60          1HG1      VAL  60   0.842   3.676   0.407
  441   2HG1  VAL  60          2HG1      VAL  60  -0.673   3.284  -0.429
  442   3HG1  VAL  60          3HG1      VAL  60   0.630   4.142  -1.281
  443   1HG2  VAL  60          1HG2      VAL  60  -0.694   6.131  -1.885
  444   2HG2  VAL  60          2HG2      VAL  60  -2.058   5.163  -1.330
  445   3HG2  VAL  60          3HG2      VAL  60  -1.832   6.836  -0.740
  446    H    GLU  61           H        GLU  61  -3.174   6.779   1.329
  447    HA   GLU  61           HA       GLU  61  -2.075   9.321   2.142
  448   1HB   GLU  61          1HB       GLU  61  -4.961   8.388   1.964
  449   2HB   GLU  61          2HB       GLU  61  -4.470  10.045   2.228
  450   1HG   GLU  61          1HG       GLU  61  -3.772   8.418  -0.254
  451   2HG   GLU  61          2HG       GLU  61  -5.144   9.504  -0.114
  452    H    ARG  62           H        ARG  62  -3.697   6.693   3.947
  453    HA   ARG  62           HA       ARG  62  -4.016   7.788   6.478
  454   1HB   ARG  62          1HB       ARG  62  -4.487   5.458   5.790
  455   2HB   ARG  62          2HB       ARG  62  -2.762   5.092   5.774
  456   1HG   ARG  62          1HG       ARG  62  -3.995   6.146   8.313
  457   2HG   ARG  62          2HG       ARG  62  -4.335   4.487   7.837
  458   1HD   ARG  62          1HD       ARG  62  -2.037   3.825   7.964
  459   2HD   ARG  62          2HD       ARG  62  -1.457   5.466   8.076
  460    HE   ARG  62           HE       ARG  62  -2.208   5.688  10.271
  461   1HH1  ARG  62          1HH1      ARG  62  -2.769   2.366   9.157
  462   2HH1  ARG  62          2HH1      ARG  62  -3.256   1.836  10.738
  463   1HH2  ARG  62          1HH2      ARG  62  -2.542   4.817  12.340
  464   2HH2  ARG  62          2HH2      ARG  62  -3.044   3.169  12.520
  465    H    ALA  63           H        ALA  63  -0.965   7.314   4.853
  466    HA   ALA  63           HA       ALA  63   0.597   8.016   7.312
  467   1HB   ALA  63          1HB       ALA  63   1.206   5.899   6.179
  468   2HB   ALA  63          2HB       ALA  63   1.450   6.778   4.654
  469   3HB   ALA  63          3HB       ALA  63   2.509   7.099   6.035
  470    H    GLY  64           H        GLY  64  -0.673   9.589   4.553
  471   1HA   GLY  64          1HA       GLY  64  -0.293  11.743   3.774
  472   2HA   GLY  64          2HA       GLY  64   1.196  11.862   4.765
  473    H    TYR  65           H        TYR  65   0.938   8.937   3.097
  474    HA   TYR  65           HA       TYR  65   3.054   9.760   1.233
  475   1HB   TYR  65          1HB       TYR  65   2.331   6.975   2.175
  476   2HB   TYR  65          2HB       TYR  65   3.707   7.425   1.180
  477    HD1  TYR  65           HD1      TYR  65   4.040  10.056   3.291
  478    HD2  TYR  65           HD2      TYR  65   4.128   5.747   3.493
  479    HE1  TYR  65           HE1      TYR  65   5.375  10.190   5.333
  480    HE2  TYR  65           HE2      TYR  65   5.549   5.877   5.522
  481    HH   TYR  65           HH       TYR  65   6.363   9.023   7.021
  482    H    HIS  66           H        HIS  66   3.092   8.586  -0.929
  483    HA   HIS  66           HA       HIS  66   0.321   8.619  -2.076
  484   1HB   HIS  66          1HB       HIS  66   2.810  10.219  -2.827
  485   2HB   HIS  66          2HB       HIS  66   1.409  10.101  -3.880
  486    HD1  HIS  66           HD1      HIS  66   2.457  11.800  -0.610
  487    HD2  HIS  66           HD2      HIS  66  -1.035  10.812  -2.719
  488    HE1  HIS  66           HE1      HIS  66   0.485  12.837   0.663
  489    HE2  HIS  66           HE2      HIS  66  -1.612  12.074  -0.590
  490    H    ALA  67           H        ALA  67  -0.068   7.472  -3.915
  491    HA   ALA  67           HA       ALA  67   1.706   5.181  -4.367
  492   1HB   ALA  67          1HB       ALA  67  -1.040   5.978  -5.466
  493   2HB   ALA  67          2HB       ALA  67  -0.257   4.412  -5.720
  494   3HB   ALA  67          3HB       ALA  67  -0.733   4.905  -4.084
  495    H    ARG  68           H        ARG  68   3.321   5.227  -5.799
  496    HA   ARG  68           HA       ARG  68   3.221   7.102  -8.120
  497   1HB   ARG  68          1HB       ARG  68   4.873   7.868  -6.770
  498   2HB   ARG  68          2HB       ARG  68   5.258   6.284  -6.166
  499   1HG   ARG  68          1HG       ARG  68   7.151   6.855  -7.245
  500   2HG   ARG  68          2HG       ARG  68   6.401   5.715  -8.308
  501   1HD   ARG  68          1HD       ARG  68   5.555   7.686  -9.695
  502   2HD   ARG  68          2HD       ARG  68   6.620   8.717  -8.755
  503    HE   ARG  68           HE       ARG  68   7.331   6.872 -10.849
  504   1HH1  ARG  68          1HH1      ARG  68   8.773   8.297  -7.928
  505   2HH1  ARG  68          2HH1      ARG  68  10.265   7.430  -8.122
  506   1HH2  ARG  68          1HH2      ARG  68   9.289   5.787 -11.039
  507   2HH2  ARG  68          2HH2      ARG  68  10.418   5.859  -9.734
  508    H    VAL  69           H        VAL  69   3.171   6.388  -9.910
  509    HA   VAL  69           HA       VAL  69   3.584   3.587 -10.753
  510    HB   VAL  69           HB       VAL  69   2.963   6.059 -12.428
  511   1HG1  VAL  69          1HG1      VAL  69   4.031   4.402 -13.873
  512   2HG1  VAL  69          2HG1      VAL  69   3.010   3.104 -13.211
  513   3HG1  VAL  69          3HG1      VAL  69   2.301   4.395 -14.205
  514   1HG2  VAL  69          1HG2      VAL  69   1.163   3.790 -11.454
  515   2HG2  VAL  69          2HG2      VAL  69   1.116   5.478 -10.896
  516   3HG2  VAL  69          3HG2      VAL  69   0.672   5.090 -12.561
  517    H    LEU  70           H        LEU  70   5.304   2.710 -11.372
  518    HA   LEU  70           HA       LEU  70   7.654   4.305 -12.301
  519   1HB   LEU  70          1HB       LEU  70   8.945   2.325 -11.431
  520   2HB   LEU  70          2HB       LEU  70   8.160   3.336 -10.238
  521    HG   LEU  70           HG       LEU  70   6.421   1.689  -9.875
  522   1HD1  LEU  70          1HD1      LEU  70   6.591  -0.616 -10.829
  523   2HD1  LEU  70          2HD1      LEU  70   6.176   0.593 -12.044
  524   3HD1  LEU  70          3HD1      LEU  70   7.842  -0.033 -11.946
  525   1HD2  LEU  70          1HD2      LEU  70   8.508   1.568  -8.585
  526   2HD2  LEU  70          2HD2      LEU  70   7.791  -0.038  -8.793
  527   3HD2  LEU  70          3HD2      LEU  70   9.195   0.444  -9.772
  528    H    LYS  71           H        LYS  71   5.300   2.842 -13.798
  529    HA   LYS  71           HA       LYS  71   6.995   1.994 -16.070
  530   1HB   LYS  71          1HB       LYS  71   5.011   0.195 -14.637
  531   2HB   LYS  71          2HB       LYS  71   5.277   0.041 -16.378
  532   1HG   LYS  71          1HG       LYS  71   7.654  -0.370 -16.075
  533   2HG   LYS  71          2HG       LYS  71   7.506  -0.162 -14.328
  534   1HD   LYS  71          1HD       LYS  71   7.588  -2.549 -14.980
  535   2HD   LYS  71          2HD       LYS  71   6.123  -2.111 -14.107
  536   1HE   LYS  71          1HE       LYS  71   5.534  -3.617 -15.909
  537   2HE   LYS  71          2HE       LYS  71   4.840  -2.025 -16.216
  538   1HZ   LYS  71          1HZ       LYS  71   7.288  -3.111 -17.501
  539   2HZ   LYS  71          2HZ       LYS  71   5.826  -2.907 -18.221
  540   3HZ   LYS  71          3HZ       LYS  71   6.711  -1.614 -17.781
  541    H    GLN  72           H        GLN  72   6.141   4.272 -16.404
  542    HA   GLN  72           HA       GLN  72   3.508   4.510 -17.624
  543   1HB   GLN  72          1HB       GLN  72   4.212   6.665 -18.335
  544   2HB   GLN  72          2HB       GLN  72   4.676   6.421 -16.665
  545   1HG   GLN  72          1HG       GLN  72   6.473   6.619 -19.099
  546   2HG   GLN  72          2HG       GLN  72   6.416   7.658 -17.699
  547   1HE2  GLN  72          1HE2      GLN  72   8.478   5.587 -19.082
  548   2HE2  GLN  72          2HE2      GLN  72   9.205   4.922 -17.614
  549    H    GLN  73           H        GLN  73   3.375   2.604 -18.923
  550    HA   GLN  73           HA       GLN  73   4.613   2.827 -21.596
  551   1HB   GLN  73          1HB       GLN  73   4.865   0.378 -19.781
  552   2HB   GLN  73          2HB       GLN  73   5.279   0.422 -21.492
  553   1HG   GLN  73          1HG       GLN  73   7.084   2.065 -21.010
  554   2HG   GLN  73          2HG       GLN  73   6.697   1.970 -19.283
  555   1HE2  GLN  73          1HE2      GLN  73   8.634   0.556 -21.734
  556   2HE2  GLN  73          2HE2      GLN  73   9.086  -0.861 -20.800
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -7.421 -12.155 -11.408
    2   2H    MET   1          2H        MET   1  -8.617 -12.799 -12.358
    3   3H    MET   1          3H        MET   1  -7.358 -13.735 -11.812
    4    HA   MET   1           HA       MET   1  -9.372 -12.474 -10.102
    5   1HB   MET   1          1HB       MET   1 -10.254 -14.642  -9.608
    6   2HB   MET   1          2HB       MET   1 -10.302 -14.399 -11.351
    7   1HG   MET   1          1HG       MET   1  -8.201 -15.803 -11.533
    8   2HG   MET   1          2HG       MET   1  -8.334 -16.122  -9.795
    9   1HE   MET   1          1HE       MET   1  -8.349 -18.695 -10.025
   10   2HE   MET   1          2HE       MET   1  -9.365 -19.584 -11.180
   11   3HE   MET   1          3HE       MET   1  -8.083 -18.507 -11.775
   12    H    ALA   2           H        ALA   2  -8.741 -12.236  -8.029
   13    HA   ALA   2           HA       ALA   2  -7.099 -11.144  -6.931
   14   1HB   ALA   2          1HB       ALA   2  -6.153 -13.333  -6.227
   15   2HB   ALA   2          2HB       ALA   2  -5.160 -13.370  -7.703
   16   3HB   ALA   2          3HB       ALA   2  -4.913 -12.096  -6.516
   17    H    GLN   3           H        GLN   3  -5.176  -9.756  -7.402
   18    HA   GLN   3           HA       GLN   3  -3.760  -9.681  -9.793
   19   1HB   GLN   3          1HB       GLN   3  -4.681  -7.624 -10.884
   20   2HB   GLN   3          2HB       GLN   3  -5.599  -9.088 -11.144
   21   1HG   GLN   3          1HG       GLN   3  -7.241  -8.325  -9.370
   22   2HG   GLN   3          2HG       GLN   3  -6.344  -6.804  -9.260
   23   1HE2  GLN   3          1HE2      GLN   3  -6.638  -5.241 -10.956
   24   2HE2  GLN   3          2HE2      GLN   3  -7.766  -5.554 -12.276
   25    H    THR   4           H        THR   4  -1.928  -8.655  -9.145
   26    HA   THR   4           HA       THR   4  -2.173  -6.861  -6.779
   27    HB   THR   4           HB       THR   4  -0.870  -8.865  -6.383
   28    HG1  THR   4           HG1      THR   4   1.138  -7.657  -5.943
   29   1HG2  THR   4          1HG2      THR   4   1.003  -7.894  -8.613
   30   2HG2  THR   4          2HG2      THR   4   1.311  -9.235  -7.492
   31   3HG2  THR   4          3HG2      THR   4   0.005  -9.362  -8.673
   32    H    ILE   5           H        ILE   5  -1.232  -4.975  -6.658
   33    HA   ILE   5           HA       ILE   5  -0.209  -3.713  -9.168
   34    HB   ILE   5           HB       ILE   5  -1.021  -2.269  -6.611
   35   1HG1  ILE   5          1HG1      ILE   5  -3.075  -3.216  -7.446
   36   2HG1  ILE   5          2HG1      ILE   5  -3.055  -1.484  -7.707
   37   1HG2  ILE   5          1HG2      ILE   5  -0.439  -1.282  -9.445
   38   2HG2  ILE   5          2HG2      ILE   5  -0.952  -0.270  -8.077
   39   3HG2  ILE   5          3HG2      ILE   5   0.607  -1.100  -8.035
   40   1HD1  ILE   5          1HD1      ILE   5  -2.553  -3.597  -9.856
   41   2HD1  ILE   5          2HD1      ILE   5  -4.049  -2.683  -9.609
   42   3HD1  ILE   5          3HD1      ILE   5  -2.583  -1.836 -10.119
   43    H    ASN   6           H        ASN   6   1.904  -3.875  -9.239
   44    HA   ASN   6           HA       ASN   6   3.466  -3.407  -6.757
   45   1HB   ASN   6          1HB       ASN   6   5.468  -4.136  -8.050
   46   2HB   ASN   6          2HB       ASN   6   4.300  -5.395  -7.682
   47   1HD2  ASN   6          1HD2      ASN   6   4.692  -3.012 -10.457
   48   2HD2  ASN   6          2HD2      ASN   6   4.573  -4.307 -11.649
   49    H    LEU   7           H        LEU   7   4.696  -1.639  -6.581
   50    HA   LEU   7           HA       LEU   7   5.003   0.371  -8.653
   51   1HB   LEU   7          1HB       LEU   7   3.369   1.894  -7.936
   52   2HB   LEU   7          2HB       LEU   7   2.529   0.395  -8.166
   53    HG   LEU   7           HG       LEU   7   3.332   1.602  -5.488
   54   1HD1  LEU   7          1HD1      LEU   7   0.950   2.047  -5.233
   55   2HD1  LEU   7          2HD1      LEU   7   1.580   2.822  -6.701
   56   3HD1  LEU   7          3HD1      LEU   7   0.618   1.332  -6.827
   57   1HD2  LEU   7          1HD2      LEU   7   3.236  -0.819  -5.190
   58   2HD2  LEU   7          2HD2      LEU   7   1.798  -0.091  -4.475
   59   3HD2  LEU   7          3HD2      LEU   7   1.684  -0.904  -6.046
   60    H    GLN   8           H        GLN   8   5.494   2.562  -7.380
   61    HA   GLN   8           HA       GLN   8   7.346   2.038  -5.107
   62   1HB   GLN   8          1HB       GLN   8   7.439   3.984  -7.362
   63   2HB   GLN   8          2HB       GLN   8   8.236   4.349  -5.819
   64   1HG   GLN   8          1HG       GLN   8   9.646   2.422  -5.979
   65   2HG   GLN   8          2HG       GLN   8   8.688   1.712  -7.273
   66   1HE2  GLN   8          1HE2      GLN   8  10.663   4.738  -6.595
   67   2HE2  GLN   8          2HE2      GLN   8  11.288   4.745  -8.225
   68    H    LEU   9           H        LEU   9   7.445   3.954  -3.601
   69    HA   LEU   9           HA       LEU   9   4.637   4.734  -2.991
   70   1HB   LEU   9          1HB       LEU   9   5.326   2.512  -2.125
   71   2HB   LEU   9          2HB       LEU   9   6.510   3.296  -1.101
   72    HG   LEU   9           HG       LEU   9   3.572   4.084  -0.971
   73   1HD1  LEU   9          1HD1      LEU   9   3.533   1.681  -0.767
   74   2HD1  LEU   9          2HD1      LEU   9   4.907   1.695   0.356
   75   3HD1  LEU   9          3HD1      LEU   9   3.341   2.359   0.854
   76   1HD2  LEU   9          1HD2      LEU   9   5.145   5.496   0.298
   77   2HD2  LEU   9          2HD2      LEU   9   4.129   4.561   1.405
   78   3HD2  LEU   9          3HD2      LEU   9   5.810   4.065   1.111
   79    H    GLU  10           H        GLU  10   4.771   6.876  -3.125
   80    HA   GLU  10           HA       GLU  10   7.271   8.190  -2.262
   81   1HB   GLU  10          1HB       GLU  10   6.755   9.958  -3.765
   82   2HB   GLU  10          2HB       GLU  10   6.725   8.365  -4.530
   83   1HG   GLU  10          1HG       GLU  10   4.186   8.497  -4.384
   84   2HG   GLU  10          2HG       GLU  10   4.407  10.219  -4.005
   85    H    GLY  11           H        GLY  11   7.226  10.429  -1.472
   86   1HA   GLY  11          1HA       GLY  11   6.661  11.912   0.257
   87   2HA   GLY  11          2HA       GLY  11   5.119  11.051   0.498
   88    H    MET  12           H        MET  12   7.089   8.513   0.497
   89    HA   MET  12           HA       MET  12   6.995   8.086   3.275
   90   1HB   MET  12          1HB       MET  12   7.919   6.006   2.858
   91   2HB   MET  12          2HB       MET  12   7.093   6.414   1.370
   92   1HG   MET  12          1HG       MET  12   9.053   5.623   0.516
   93   2HG   MET  12          2HG       MET  12   9.469   7.324   0.630
   94   1HE   MET  12          1HE       MET  12  12.870   5.684   1.379
   95   2HE   MET  12          2HE       MET  12  11.623   5.175   0.214
   96   3HE   MET  12          3HE       MET  12  11.959   6.898   0.456
   97    H    ARG  13           H        ARG  13   8.495   8.077   4.955
   98    HA   ARG  13           HA       ARG  13  11.166   9.086   4.585
   99   1HB   ARG  13          1HB       ARG  13   9.217  11.091   4.435
  100   2HB   ARG  13          2HB       ARG  13   9.768  11.221   6.095
  101   1HG   ARG  13          1HG       ARG  13  12.089  11.491   5.361
  102   2HG   ARG  13          2HG       ARG  13  11.646  11.096   3.688
  103   1HD   ARG  13          1HD       ARG  13  10.162  13.093   3.625
  104   2HD   ARG  13          2HD       ARG  13  10.728  13.556   5.233
  105    HE   ARG  13           HE       ARG  13  12.171  13.685   2.668
  106   1HH1  ARG  13          1HH1      ARG  13  12.635  13.886   6.173
  107   2HH1  ARG  13          2HH1      ARG  13  14.121  14.777   6.014
  108   1HH2  ARG  13          1HH2      ARG  13  14.098  14.789   2.541
  109   2HH2  ARG  13          2HH2      ARG  13  14.943  15.267   3.981
  110    H    CYS  14           H        CYS  14   8.663   8.337   7.028
  111    HA   CYS  14           HA       CYS  14  10.664   7.265   8.776
  112   1HB   CYS  14          1HB       CYS  14  10.731   9.951   9.025
  113   2HB   CYS  14          2HB       CYS  14   9.340   9.661  10.070
  114    HG   CYS  14           HG       CYS  14  12.417   8.403  10.128
  115    H    ALA  15           H        ALA  15   9.647   7.178  11.105
  116    HA   ALA  15           HA       ALA  15   8.196   6.414  12.632
  117   1HB   ALA  15          1HB       ALA  15   6.069   7.558  10.777
  118   2HB   ALA  15          2HB       ALA  15   5.900   7.260  12.519
  119   3HB   ALA  15          3HB       ALA  15   7.033   8.490  11.941
  120    H    ALA  16           H        ALA  16   6.230   5.042  13.147
  121    HA   ALA  16           HA       ALA  16   6.516   2.451  11.954
  122   1HB   ALA  16          1HB       ALA  16   5.951   2.856  14.335
  123   2HB   ALA  16          2HB       ALA  16   4.379   3.543  13.849
  124   3HB   ALA  16          3HB       ALA  16   4.743   1.830  13.544
  125    H    CYS  17           H        CYS  17   4.665   5.092  10.779
  126    HA   CYS  17           HA       CYS  17   2.321   4.116   9.839
  127   1HB   CYS  17          1HB       CYS  17   4.263   6.018   8.439
  128   2HB   CYS  17          2HB       CYS  17   2.513   5.916   8.191
  129    HG   CYS  17           HG       CYS  17   2.929   8.043   9.577
  130    H    ALA  18           H        ALA  18   5.481   3.153   8.521
  131    HA   ALA  18           HA       ALA  18   4.648   2.570   5.847
  132   1HB   ALA  18          1HB       ALA  18   6.985   2.966   6.522
  133   2HB   ALA  18          2HB       ALA  18   6.986   1.496   7.510
  134   3HB   ALA  18          3HB       ALA  18   6.813   1.381   5.746
  135    H    SER  19           H        SER  19   5.551   0.096   8.316
  136    HA   SER  19           HA       SER  19   3.842  -1.858   6.992
  137   1HB   SER  19          1HB       SER  19   5.274  -1.995   9.649
  138   2HB   SER  19          2HB       SER  19   4.330  -3.325   8.938
  139    HG   SER  19           HG       SER  19   5.655  -3.273   7.100
  140    H    SER  20           H        SER  20   2.992   0.668   9.145
  141    HA   SER  20           HA       SER  20   0.507  -0.508  10.092
  142   1HB   SER  20          1HB       SER  20   1.849   1.942  10.427
  143   2HB   SER  20          2HB       SER  20   0.366   2.373   9.584
  144    HG   SER  20           HG       SER  20   0.750   1.717  12.128
  145    H    ILE  21           H        ILE  21   1.505   0.619   6.942
  146    HA   ILE  21           HA       ILE  21  -1.169   0.764   5.720
  147    HB   ILE  21           HB       ILE  21   1.610   0.249   4.573
  148   1HG1  ILE  21          1HG1      ILE  21   0.010   2.790   4.205
  149   2HG1  ILE  21          2HG1      ILE  21   0.967   2.590   5.647
  150   1HG2  ILE  21          1HG2      ILE  21  -1.020   0.615   3.161
  151   2HG2  ILE  21          2HG2      ILE  21   0.558   0.807   2.370
  152   3HG2  ILE  21          3HG2      ILE  21   0.115  -0.743   3.061
  153   1HD1  ILE  21          1HD1      ILE  21   3.019   2.357   4.373
  154   2HD1  ILE  21          2HD1      ILE  21   2.134   2.385   2.853
  155   3HD1  ILE  21          3HD1      ILE  21   2.170   3.830   3.875
  156    H    GLU  22           H        GLU  22   1.411  -1.703   5.560
  157    HA   GLU  22           HA       GLU  22   0.005  -3.799   4.433
  158   1HB   GLU  22          1HB       GLU  22   2.173  -3.959   6.570
  159   2HB   GLU  22          2HB       GLU  22   1.707  -5.277   5.494
  160   1HG   GLU  22          1HG       GLU  22   2.487  -4.058   3.537
  161   2HG   GLU  22          2HG       GLU  22   2.775  -2.602   4.492
  162    H    ARG  23           H        ARG  23   0.375  -3.186   7.934
  163    HA   ARG  23           HA       ARG  23  -1.248  -5.277   8.912
  164   1HB   ARG  23          1HB       ARG  23   0.497  -3.798  10.057
  165   2HB   ARG  23          2HB       ARG  23  -0.767  -2.578  10.240
  166   1HG   ARG  23          1HG       ARG  23  -2.067  -4.253  11.616
  167   2HG   ARG  23          2HG       ARG  23  -0.748  -5.415  11.370
  168   1HD   ARG  23          1HD       ARG  23   0.792  -3.586  12.390
  169   2HD   ARG  23          2HD       ARG  23  -0.705  -2.793  12.912
  170    HE   ARG  23           HE       ARG  23  -0.262  -5.648  13.593
  171   1HH1  ARG  23          1HH1      ARG  23  -0.323  -2.355  14.887
  172   2HH1  ARG  23          2HH1      ARG  23  -0.274  -2.913  16.535
  173   1HH2  ARG  23          1HH2      ARG  23  -0.160  -6.289  15.744
  174   2HH2  ARG  23          2HH2      ARG  23  -0.164  -5.100  17.002
  175    H    ALA  24           H        ALA  24  -2.284  -2.216   7.537
  176    HA   ALA  24           HA       ALA  24  -5.023  -2.411   8.692
  177   1HB   ALA  24          1HB       ALA  24  -5.341  -0.209   7.639
  178   2HB   ALA  24          2HB       ALA  24  -3.932  -0.204   8.714
  179   3HB   ALA  24          3HB       ALA  24  -3.707  -0.280   6.947
  180    H    ILE  25           H        ILE  25  -3.344  -2.530   5.489
  181    HA   ILE  25           HA       ILE  25  -5.717  -2.958   3.917
  182    HB   ILE  25           HB       ILE  25  -2.851  -3.881   3.465
  183   1HG1  ILE  25          1HG1      ILE  25  -4.349  -1.535   2.215
  184   2HG1  ILE  25          2HG1      ILE  25  -3.262  -1.357   3.592
  185   1HG2  ILE  25          1HG2      ILE  25  -3.591  -4.148   1.105
  186   2HG2  ILE  25          2HG2      ILE  25  -4.446  -5.235   2.133
  187   3HG2  ILE  25          3HG2      ILE  25  -5.258  -3.761   1.570
  188   1HD1  ILE  25          1HD1      ILE  25  -1.388  -2.285   2.231
  189   2HD1  ILE  25          2HD1      ILE  25  -2.451  -2.301   0.815
  190   3HD1  ILE  25          3HD1      ILE  25  -2.066  -0.770   1.584
  191    H    ALA  26           H        ALA  26  -3.679  -5.131   5.774
  192    HA   ALA  26           HA       ALA  26  -4.760  -7.641   5.251
  193   1HB   ALA  26          1HB       ALA  26  -3.924  -6.452   7.932
  194   2HB   ALA  26          2HB       ALA  26  -4.013  -8.185   7.535
  195   3HB   ALA  26          3HB       ALA  26  -2.836  -7.152   6.713
  196    H    LYS  27           H        LYS  27  -6.713  -5.032   6.464
  197    HA   LYS  27           HA       LYS  27  -8.814  -6.868   7.450
  198   1HB   LYS  27          1HB       LYS  27  -8.443  -3.856   7.445
  199   2HB   LYS  27          2HB       LYS  27  -9.957  -4.637   7.845
  200   1HG   LYS  27          1HG       LYS  27  -8.808  -4.115   9.827
  201   2HG   LYS  27          2HG       LYS  27  -8.967  -5.858   9.684
  202   1HD   LYS  27          1HD       LYS  27  -6.317  -5.003   8.719
  203   2HD   LYS  27          2HD       LYS  27  -6.685  -4.223  10.198
  204   1HE   LYS  27          1HE       LYS  27  -5.461  -6.286  10.595
  205   2HE   LYS  27          2HE       LYS  27  -7.049  -6.300  11.378
  206   1HZ   LYS  27          1HZ       LYS  27  -6.425  -7.667   8.809
  207   2HZ   LYS  27          2HZ       LYS  27  -6.569  -8.415  10.260
  208   3HZ   LYS  27          3HZ       LYS  27  -7.863  -7.690   9.552
  209    H    VAL  28           H        VAL  28  -7.916  -5.322   4.455
  210    HA   VAL  28           HA       VAL  28 -10.635  -4.922   3.440
  211    HB   VAL  28           HB       VAL  28  -7.977  -5.035   1.932
  212   1HG1  VAL  28          1HG1      VAL  28 -10.694  -3.943   1.061
  213   2HG1  VAL  28          2HG1      VAL  28  -9.186  -3.827   0.139
  214   3HG1  VAL  28          3HG1      VAL  28  -9.915  -5.410   0.429
  215   1HG2  VAL  28          1HG2      VAL  28  -8.098  -2.561   1.916
  216   2HG2  VAL  28          2HG2      VAL  28  -9.560  -2.618   2.925
  217   3HG2  VAL  28          3HG2      VAL  28  -8.002  -3.169   3.570
  218    HA   PRO  29           HA       PRO  29 -11.132  -9.207   3.004
  219   1HB   PRO  29          1HB       PRO  29 -13.281  -9.443   1.244
  220   2HB   PRO  29          2HB       PRO  29 -13.401  -8.976   2.966
  221   1HG   PRO  29          1HG       PRO  29 -13.257  -7.153   0.544
  222   2HG   PRO  29          2HG       PRO  29 -14.403  -7.077   1.924
  223   1HD   PRO  29          1HD       PRO  29 -12.226  -5.491   1.866
  224   2HD   PRO  29          2HD       PRO  29 -12.704  -6.281   3.398
  225    H    GLY  30           H        GLY  30 -10.343  -7.374   0.155
  226   1HA   GLY  30          1HA       GLY  30  -9.784  -9.729  -1.532
  227   2HA   GLY  30          2HA       GLY  30  -9.588  -8.009  -1.942
  228    H    VAL  31           H        VAL  31  -8.043  -8.455   0.964
  229    HA   VAL  31           HA       VAL  31  -5.375  -8.151  -0.181
  230    HB   VAL  31           HB       VAL  31  -6.062  -7.078   1.869
  231   1HG1  VAL  31          1HG1      VAL  31  -6.505  -8.047   3.906
  232   2HG1  VAL  31          2HG1      VAL  31  -7.165  -9.320   2.876
  233   3HG1  VAL  31          3HG1      VAL  31  -5.555  -9.502   3.577
  234   1HG2  VAL  31          1HG2      VAL  31  -3.656  -8.941   2.148
  235   2HG2  VAL  31          2HG2      VAL  31  -3.696  -7.405   1.261
  236   3HG2  VAL  31          3HG2      VAL  31  -3.911  -7.421   3.025
  237    H    GLN  32           H        GLN  32  -5.075  -9.897  -1.484
  238    HA   GLN  32           HA       GLN  32  -4.786 -12.597  -0.199
  239   1HB   GLN  32          1HB       GLN  32  -4.424 -13.522  -2.362
  240   2HB   GLN  32          2HB       GLN  32  -5.809 -12.445  -2.436
  241   1HG   GLN  32          1HG       GLN  32  -4.847 -11.624  -4.272
  242   2HG   GLN  32          2HG       GLN  32  -3.865 -10.693  -3.171
  243   1HE2  GLN  32          1HE2      GLN  32  -2.022 -13.047  -2.400
  244   2HE2  GLN  32          2HE2      GLN  32  -1.132 -13.310  -3.902
  245    H    SER  33           H        SER  33  -2.839  -9.812  -0.841
  246    HA   SER  33           HA       SER  33  -0.824 -10.731   0.850
  247   1HB   SER  33          1HB       SER  33  -0.130 -11.064  -2.076
  248   2HB   SER  33          2HB       SER  33   1.112 -10.588  -0.908
  249    HG   SER  33           HG       SER  33  -0.580 -12.825  -0.527
  250    H    CYS  34           H        CYS  34   0.541  -9.152   1.447
  251    HA   CYS  34           HA       CYS  34   0.525  -6.478   0.132
  252   1HB   CYS  34          1HB       CYS  34   0.748  -7.235   3.110
  253   2HB   CYS  34          2HB       CYS  34   1.066  -5.621   2.470
  254    HG   CYS  34           HG       CYS  34  -1.265  -5.797   3.774
  255    H    GLN  35           H        GLN  35   2.625  -5.390   0.445
  256    HA   GLN  35           HA       GLN  35   4.673  -6.069   2.102
  257   1HB   GLN  35          1HB       GLN  35   4.864  -7.596  -0.427
  258   2HB   GLN  35          2HB       GLN  35   6.305  -6.667  -0.050
  259   1HG   GLN  35          1HG       GLN  35   6.782  -7.834   1.878
  260   2HG   GLN  35          2HG       GLN  35   5.112  -8.265   2.206
  261   1HE2  GLN  35          1HE2      GLN  35   4.068  -9.771   0.565
  262   2HE2  GLN  35          2HE2      GLN  35   5.088 -11.123   0.019
  263    H    VAL  36           H        VAL  36   5.918  -4.269   2.296
  264    HA   VAL  36           HA       VAL  36   6.540  -2.664  -0.116
  265    HB   VAL  36           HB       VAL  36   5.068  -1.121   0.714
  266   1HG1  VAL  36          1HG1      VAL  36   4.626  -0.589   3.091
  267   2HG1  VAL  36          2HG1      VAL  36   4.225  -2.240   2.645
  268   3HG1  VAL  36          3HG1      VAL  36   5.719  -1.907   3.567
  269   1HG2  VAL  36          1HG2      VAL  36   7.275   0.031   0.698
  270   2HG2  VAL  36          2HG2      VAL  36   6.194   0.695   1.922
  271   3HG2  VAL  36          3HG2      VAL  36   7.499  -0.381   2.412
  272    H    ASN  37           H        ASN  37   8.553  -1.998  -0.316
  273    HA   ASN  37           HA       ASN  37  10.539  -2.891   1.734
  274   1HB   ASN  37          1HB       ASN  37  10.827  -3.745  -0.624
  275   2HB   ASN  37          2HB       ASN  37  11.096  -2.070  -1.139
  276   1HD2  ASN  37          1HD2      ASN  37  12.406  -4.747   0.785
  277   2HD2  ASN  37          2HD2      ASN  37  13.992  -4.018   0.995
  278    H    PHE  38           H        PHE  38  10.487  -1.266   3.189
  279    HA   PHE  38           HA       PHE  38  10.404   1.541   2.489
  280   1HB   PHE  38          1HB       PHE  38   9.336   0.407   4.479
  281   2HB   PHE  38          2HB       PHE  38  10.937   0.247   5.184
  282    HD1  PHE  38           HD1      PHE  38  11.816   2.053   6.482
  283    HD2  PHE  38           HD2      PHE  38   8.499   2.768   3.820
  284    HE1  PHE  38           HE1      PHE  38  11.489   4.291   7.491
  285    HE2  PHE  38           HE2      PHE  38   8.165   5.002   4.850
  286    HZ   PHE  38           HZ       PHE  38   9.649   5.760   6.692
  287    H    ALA  39           H        ALA  39  12.375   0.965   1.036
  288    HA   ALA  39           HA       ALA  39  14.622   2.502   2.002
  289   1HB   ALA  39          1HB       ALA  39  16.342   0.729   1.680
  290   2HB   ALA  39          2HB       ALA  39  15.266   0.362   3.034
  291   3HB   ALA  39          3HB       ALA  39  15.060  -0.485   1.488
  292    H    LEU  40           H        LEU  40  13.684   0.044  -0.547
  293    HA   LEU  40           HA       LEU  40  14.656   1.882  -2.634
  294   1HB   LEU  40          1HB       LEU  40  15.837  -0.141  -2.558
  295   2HB   LEU  40          2HB       LEU  40  14.428  -1.087  -2.116
  296    HG   LEU  40           HG       LEU  40  13.539  -0.972  -4.247
  297   1HD1  LEU  40          1HD1      LEU  40  14.505   1.197  -5.122
  298   2HD1  LEU  40          2HD1      LEU  40  16.109   0.446  -5.144
  299   3HD1  LEU  40          3HD1      LEU  40  14.833  -0.136  -6.236
  300   1HD2  LEU  40          1HD2      LEU  40  15.155  -2.466  -5.394
  301   2HD2  LEU  40          2HD2      LEU  40  16.418  -1.933  -4.264
  302   3HD2  LEU  40          3HD2      LEU  40  15.006  -2.829  -3.667
  303    H    GLU  41           H        GLU  41  12.222   2.283  -1.165
  304    HA   GLU  41           HA       GLU  41  10.152   3.105  -1.431
  305   1HB   GLU  41          1HB       GLU  41  11.044   3.246  -4.334
  306   2HB   GLU  41          2HB       GLU  41   9.591   4.003  -3.687
  307   1HG   GLU  41          1HG       GLU  41  11.088   5.255  -2.056
  308   2HG   GLU  41          2HG       GLU  41  12.455   4.725  -3.055
  309    H    GLN  42           H        GLN  42  10.546   0.095  -3.213
  310    HA   GLN  42           HA       GLN  42   8.029   0.275  -4.472
  311   1HB   GLN  42          1HB       GLN  42   8.160  -1.962  -5.157
  312   2HB   GLN  42          2HB       GLN  42   9.731  -1.248  -5.273
  313   1HG   GLN  42          1HG       GLN  42   9.498  -2.401  -2.593
  314   2HG   GLN  42          2HG       GLN  42   8.645  -3.513  -3.612
  315   1HE2  GLN  42          1HE2      GLN  42  11.638  -1.720  -4.657
  316   2HE2  GLN  42          2HE2      GLN  42  12.619  -3.189  -4.567
  317    H    ALA  43           H        ALA  43   6.185  -0.962  -4.330
  318    HA   ALA  43           HA       ALA  43   5.661  -2.530  -1.914
  319   1HB   ALA  43          1HB       ALA  43   3.342  -1.648  -1.721
  320   2HB   ALA  43          2HB       ALA  43   4.559  -0.396  -1.417
  321   3HB   ALA  43          3HB       ALA  43   3.714  -0.435  -2.969
  322    H    VAL  44           H        VAL  44   4.105  -4.109  -2.188
  323    HA   VAL  44           HA       VAL  44   2.994  -4.516  -4.861
  324    HB   VAL  44           HB       VAL  44   4.976  -5.877  -4.961
  325   1HG1  VAL  44          1HG1      VAL  44   5.461  -7.782  -3.590
  326   2HG1  VAL  44          2HG1      VAL  44   5.324  -6.365  -2.543
  327   3HG1  VAL  44          3HG1      VAL  44   3.998  -7.552  -2.624
  328   1HG2  VAL  44          1HG2      VAL  44   2.535  -7.669  -4.690
  329   2HG2  VAL  44          2HG2      VAL  44   2.932  -6.658  -6.103
  330   3HG2  VAL  44          3HG2      VAL  44   4.000  -7.990  -5.637
  331    H    VAL  45           H        VAL  45   0.837  -4.716  -4.628
  332    HA   VAL  45           HA       VAL  45  -0.158  -6.397  -2.408
  333    HB   VAL  45           HB       VAL  45  -1.489  -3.711  -2.765
  334   1HG1  VAL  45          1HG1      VAL  45  -2.825  -5.527  -1.713
  335   2HG1  VAL  45          2HG1      VAL  45  -1.565  -5.715  -0.474
  336   3HG1  VAL  45          3HG1      VAL  45  -2.460  -4.206  -0.608
  337   1HG2  VAL  45          1HG2      VAL  45   0.747  -3.143  -1.924
  338   2HG2  VAL  45          2HG2      VAL  45  -0.488  -2.883  -0.697
  339   3HG2  VAL  45          3HG2      VAL  45   0.554  -4.311  -0.593
  340    H    SER  46           H        SER  46  -1.714  -7.650  -2.998
  341    HA   SER  46           HA       SER  46  -3.660  -6.738  -5.115
  342   1HB   SER  46          1HB       SER  46  -2.904  -8.720  -6.066
  343   2HB   SER  46          2HB       SER  46  -2.727  -9.540  -4.575
  344    HG   SER  46           HG       SER  46  -5.124  -9.343  -4.449
  345    H    TYR  47           H        TYR  47  -4.796  -5.577  -3.809
  346    HA   TYR  47           HA       TYR  47  -6.127  -6.731  -1.420
  347   1HB   TYR  47          1HB       TYR  47  -6.644  -4.189  -0.982
  348   2HB   TYR  47          2HB       TYR  47  -5.100  -4.914  -0.637
  349    HD1  TYR  47           HD1      TYR  47  -4.406  -2.514  -0.375
  350    HD2  TYR  47           HD2      TYR  47  -5.599  -4.061  -4.190
  351    HE1  TYR  47           HE1      TYR  47  -2.819  -0.961  -1.486
  352    HE2  TYR  47           HE2      TYR  47  -3.900  -2.603  -5.301
  353    HH   TYR  47           HH       TYR  47  -1.924  -0.277  -3.529
  354    H    HIS  48           H        HIS  48  -6.966  -6.546  -4.521
  355    HA   HIS  48           HA       HIS  48  -9.585  -5.245  -4.249
  356   1HB   HIS  48          1HB       HIS  48  -8.555  -6.658  -6.712
  357   2HB   HIS  48          2HB       HIS  48  -9.711  -5.338  -6.602
  358    HD2  HIS  48           HD2      HIS  48  -5.995  -6.154  -6.549
  359    HE1  HIS  48           HE1      HIS  48  -6.221  -1.881  -6.586
  360    HE2  HIS  48           HE2      HIS  48  -4.670  -3.906  -6.939
  361    H    GLY  49           H        GLY  49 -11.330  -6.311  -3.566
  362   1HA   GLY  49          1HA       GLY  49 -11.358  -9.262  -3.416
  363   2HA   GLY  49          2HA       GLY  49 -12.489  -8.129  -2.641
  364    H    GLU  50           H        GLU  50 -12.831  -6.915  -5.480
  365    HA   GLU  50           HA       GLU  50 -14.358  -8.886  -6.982
  366   1HB   GLU  50          1HB       GLU  50 -15.892  -8.353  -5.101
  367   2HB   GLU  50          2HB       GLU  50 -15.709  -6.643  -5.417
  368   1HG   GLU  50          1HG       GLU  50 -16.601  -7.799  -7.884
  369   2HG   GLU  50          2HG       GLU  50 -17.517  -8.607  -6.615
  370    H    THR  51           H        THR  51 -15.590  -5.754  -7.407
  371    HA   THR  51           HA       THR  51 -13.330  -4.648  -8.955
  372    HB   THR  51           HB       THR  51 -14.659  -2.625  -9.069
  373    HG1  THR  51           HG1      THR  51 -16.592  -3.982  -7.467
  374   1HG2  THR  51          1HG2      THR  51 -16.517  -4.972  -9.616
  375   2HG2  THR  51          2HG2      THR  51 -16.599  -3.345 -10.314
  376   3HG2  THR  51          3HG2      THR  51 -15.227  -4.407 -10.702
  377    H    THR  52           H        THR  52 -12.932  -2.242  -7.958
  378    HA   THR  52           HA       THR  52 -13.003  -1.849  -5.163
  379    HB   THR  52           HB       THR  52 -10.440  -3.004  -6.229
  380    HG1  THR  52           HG1      THR  52 -12.154  -3.968  -4.904
  381   1HG2  THR  52          1HG2      THR  52  -9.595  -0.890  -5.342
  382   2HG2  THR  52          2HG2      THR  52 -10.589  -1.084  -3.867
  383   3HG2  THR  52          3HG2      THR  52  -9.247  -2.194  -4.205
  384    HA   PRO  53           HA       PRO  53 -12.336   2.100  -7.222
  385   1HB   PRO  53          1HB       PRO  53 -13.171   3.797  -5.293
  386   2HB   PRO  53          2HB       PRO  53 -14.271   2.573  -5.967
  387   1HG   PRO  53          1HG       PRO  53 -12.613   2.338  -3.431
  388   2HG   PRO  53          2HG       PRO  53 -14.383   2.110  -3.607
  389   1HD   PRO  53          1HD       PRO  53 -12.613   0.013  -3.720
  390   2HD   PRO  53          2HD       PRO  53 -14.111   0.052  -4.694
  391    H    GLN  54           H        GLN  54 -11.442   4.346  -5.454
  392    HA   GLN  54           HA       GLN  54  -8.696   4.375  -5.963
  393   1HB   GLN  54          1HB       GLN  54 -10.401   6.217  -5.698
  394   2HB   GLN  54          2HB       GLN  54 -10.230   6.062  -3.948
  395   1HG   GLN  54          1HG       GLN  54  -7.947   6.817  -4.028
  396   2HG   GLN  54          2HG       GLN  54  -7.861   6.630  -5.785
  397   1HE2  GLN  54          1HE2      GLN  54  -7.743   9.075  -3.693
  398   2HE2  GLN  54          2HE2      GLN  54  -8.767  10.222  -4.553
  399    H    ILE  55           H        ILE  55 -10.017   2.505  -3.536
  400    HA   ILE  55           HA       ILE  55  -8.540   2.965  -1.209
  401    HB   ILE  55           HB       ILE  55  -9.734   0.459  -2.369
  402   1HG1  ILE  55          1HG1      ILE  55 -10.540   2.248  -0.020
  403   2HG1  ILE  55          2HG1      ILE  55 -11.182   2.417  -1.646
  404   1HG2  ILE  55          1HG2      ILE  55  -7.949  -0.339  -0.877
  405   2HG2  ILE  55          2HG2      ILE  55  -8.517   0.749   0.412
  406   3HG2  ILE  55          3HG2      ILE  55  -9.511  -0.618  -0.138
  407   1HD1  ILE  55          1HD1      ILE  55 -12.062   0.048  -1.492
  408   2HD1  ILE  55          2HD1      ILE  55 -11.619   0.074   0.232
  409   3HD1  ILE  55          3HD1      ILE  55 -12.807   1.225  -0.389
  410    H    LEU  56           H        LEU  56  -7.378   1.475  -4.113
  411    HA   LEU  56           HA       LEU  56  -5.065   0.171  -3.084
  412   1HB   LEU  56          1HB       LEU  56  -4.389   0.038  -5.423
  413   2HB   LEU  56          2HB       LEU  56  -6.086  -0.326  -5.182
  414    HG   LEU  56           HG       LEU  56  -6.445   2.225  -5.898
  415   1HD1  LEU  56          1HD1      LEU  56  -4.820   2.946  -7.618
  416   2HD1  LEU  56          2HD1      LEU  56  -4.024   2.831  -6.049
  417   3HD1  LEU  56          3HD1      LEU  56  -3.787   1.550  -7.251
  418   1HD2  LEU  56          1HD2      LEU  56  -6.689   1.486  -8.231
  419   2HD2  LEU  56          2HD2      LEU  56  -5.727   0.032  -7.889
  420   3HD2  LEU  56          3HD2      LEU  56  -7.314   0.267  -7.113
  421    H    THR  57           H        THR  57  -5.619   3.495  -3.746
  422    HA   THR  57           HA       THR  57  -2.820   4.143  -2.861
  423    HB   THR  57           HB       THR  57  -3.377   5.155  -4.996
  424    HG1  THR  57           HG1      THR  57  -3.103   7.287  -3.213
  425   1HG2  THR  57          1HG2      THR  57  -5.709   5.757  -4.805
  426   2HG2  THR  57          2HG2      THR  57  -5.365   6.852  -3.440
  427   3HG2  THR  57          3HG2      THR  57  -4.741   7.218  -5.057
  428    H    ASP  58           H        ASP  58  -6.243   4.759  -2.070
  429    HA   ASP  58           HA       ASP  58  -6.073   6.552   0.023
  430   1HB   ASP  58          1HB       ASP  58  -8.107   5.278  -0.895
  431   2HB   ASP  58          2HB       ASP  58  -7.611   3.965   0.197
  432    H    ALA  59           H        ALA  59  -5.428   3.029   0.258
  433    HA   ALA  59           HA       ALA  59  -4.774   3.149   3.029
  434   1HB   ALA  59          1HB       ALA  59  -4.101   0.973   0.986
  435   2HB   ALA  59          2HB       ALA  59  -4.221   0.783   2.756
  436   3HB   ALA  59          3HB       ALA  59  -5.672   1.145   1.799
  437    H    VAL  60           H        VAL  60  -2.795   4.173   0.521
  438    HA   VAL  60           HA       VAL  60  -0.414   4.046   2.361
  439    HB   VAL  60           HB       VAL  60   0.882   5.066   0.555
  440   1HG1  VAL  60          1HG1      VAL  60   1.242   2.931  -0.670
  441   2HG1  VAL  60          2HG1      VAL  60   0.978   2.635   1.053
  442   3HG1  VAL  60          3HG1      VAL  60  -0.328   2.331  -0.100
  443   1HG2  VAL  60          1HG2      VAL  60  -0.847   5.930  -0.970
  444   2HG2  VAL  60          2HG2      VAL  60   0.314   4.857  -1.762
  445   3HG2  VAL  60          3HG2      VAL  60  -1.280   4.238  -1.373
  446    H    GLU  61           H        GLU  61  -2.727   6.195   0.867
  447    HA   GLU  61           HA       GLU  61  -1.504   8.668   1.820
  448   1HB   GLU  61          1HB       GLU  61  -4.189   7.979   0.601
  449   2HB   GLU  61          2HB       GLU  61  -3.844   9.603   1.248
  450   1HG   GLU  61          1HG       GLU  61  -1.876   9.829  -0.117
  451   2HG   GLU  61          2HG       GLU  61  -1.995   8.170  -0.714
  452    H    ARG  62           H        ARG  62  -3.829   6.464   3.179
  453    HA   ARG  62           HA       ARG  62  -4.353   7.201   5.752
  454   1HB   ARG  62          1HB       ARG  62  -4.942   5.104   4.858
  455   2HB   ARG  62          2HB       ARG  62  -3.299   4.724   4.377
  456   1HG   ARG  62          1HG       ARG  62  -4.100   4.819   7.282
  457   2HG   ARG  62          2HG       ARG  62  -4.356   3.405   6.274
  458   1HD   ARG  62          1HD       ARG  62  -1.939   3.202   5.801
  459   2HD   ARG  62          2HD       ARG  62  -1.558   4.568   6.840
  460    HE   ARG  62           HE       ARG  62  -2.136   1.910   7.680
  461   1HH1  ARG  62          1HH1      ARG  62  -2.476   5.289   8.749
  462   2HH1  ARG  62          2HH1      ARG  62  -2.657   4.809  10.413
  463   1HH2  ARG  62          1HH2      ARG  62  -2.276   1.400   9.732
  464   2HH2  ARG  62          2HH2      ARG  62  -2.533   2.587  10.991
  465    H    ALA  63           H        ALA  63  -1.098   6.857   4.491
  466    HA   ALA  63           HA       ALA  63   0.097   7.059   7.245
  467   1HB   ALA  63          1HB       ALA  63   2.164   6.207   6.095
  468   2HB   ALA  63          2HB       ALA  63   0.816   5.056   6.028
  469   3HB   ALA  63          3HB       ALA  63   1.256   6.034   4.608
  470    H    GLY  64           H        GLY  64  -0.668   9.008   4.588
  471   1HA   GLY  64          1HA       GLY  64  -0.091  11.265   4.265
  472   2HA   GLY  64          2HA       GLY  64   1.454  11.009   5.132
  473    H    TYR  65           H        TYR  65   1.179   8.332   3.316
  474    HA   TYR  65           HA       TYR  65   3.069   9.411   1.340
  475   1HB   TYR  65          1HB       TYR  65   2.580   6.549   2.194
  476   2HB   TYR  65          2HB       TYR  65   3.925   7.153   1.226
  477    HD1  TYR  65           HD1      TYR  65   4.086   5.547   3.873
  478    HD2  TYR  65           HD2      TYR  65   4.292   9.778   3.031
  479    HE1  TYR  65           HE1      TYR  65   5.444   5.907   5.931
  480    HE2  TYR  65           HE2      TYR  65   5.587  10.135   5.075
  481    HH   TYR  65           HH       TYR  65   6.533   7.551   7.321
  482    H    HIS  66           H        HIS  66   3.044   7.610  -0.773
  483    HA   HIS  66           HA       HIS  66   0.330   7.912  -1.982
  484   1HB   HIS  66          1HB       HIS  66   2.758   9.609  -2.378
  485   2HB   HIS  66          2HB       HIS  66   1.997   9.138  -3.858
  486    HD1  HIS  66           HD1      HIS  66   1.310  11.182  -0.680
  487    HD2  HIS  66           HD2      HIS  66  -0.700   9.859  -4.124
  488    HE1  HIS  66           HE1      HIS  66  -0.954  12.360  -0.714
  489    HE2  HIS  66           HE2      HIS  66  -2.194  11.436  -2.695
  490    H    ALA  67           H        ALA  67   0.043   6.961  -4.020
  491    HA   ALA  67           HA       ALA  67   1.667   4.538  -4.462
  492   1HB   ALA  67          1HB       ALA  67  -0.774   4.368  -4.309
  493   2HB   ALA  67          2HB       ALA  67  -0.977   5.581  -5.596
  494   3HB   ALA  67          3HB       ALA  67  -0.294   4.004  -5.977
  495    H    ARG  68           H        ARG  68   3.591   5.186  -5.428
  496    HA   ARG  68           HA       ARG  68   3.614   7.007  -7.731
  497   1HB   ARG  68          1HB       ARG  68   5.420   7.119  -6.199
  498   2HB   ARG  68          2HB       ARG  68   5.693   5.410  -6.346
  499   1HG   ARG  68          1HG       ARG  68   7.442   6.540  -7.403
  500   2HG   ARG  68          2HG       ARG  68   6.564   5.596  -8.574
  501   1HD   ARG  68          1HD       ARG  68   5.561   7.486  -9.613
  502   2HD   ARG  68          2HD       ARG  68   5.960   8.558  -8.288
  503    HE   ARG  68           HE       ARG  68   7.765   7.588 -10.397
  504   1HH1  ARG  68          1HH1      ARG  68   7.512   9.488  -7.412
  505   2HH1  ARG  68          2HH1      ARG  68   9.230   9.652  -7.247
  506   1HH2  ARG  68          1HH2      ARG  68   9.996   8.000 -10.237
  507   2HH2  ARG  68          2HH2      ARG  68  10.593   8.972  -8.924
  508    H    VAL  69           H        VAL  69   2.693   6.221  -9.310
  509    HA   VAL  69           HA       VAL  69   3.036   3.649 -10.531
  510    HB   VAL  69           HB       VAL  69   2.254   5.013 -12.598
  511   1HG1  VAL  69          1HG1      VAL  69   0.451   4.820 -10.156
  512   2HG1  VAL  69          2HG1      VAL  69  -0.097   4.927 -11.843
  513   3HG1  VAL  69          3HG1      VAL  69   0.804   3.503 -11.297
  514   1HG2  VAL  69          1HG2      VAL  69   1.531   7.116 -10.529
  515   2HG2  VAL  69          2HG2      VAL  69   2.773   7.304 -11.785
  516   3HG2  VAL  69          3HG2      VAL  69   1.078   7.101 -12.239
  517    H    LEU  70           H        LEU  70   4.820   2.855 -11.155
  518    HA   LEU  70           HA       LEU  70   7.041   4.630 -11.938
  519   1HB   LEU  70          1HB       LEU  70   8.470   2.857 -11.366
  520   2HB   LEU  70          2HB       LEU  70   7.291   3.051 -10.104
  521    HG   LEU  70           HG       LEU  70   6.053   1.029 -11.313
  522   1HD1  LEU  70          1HD1      LEU  70   8.963   0.562 -12.160
  523   2HD1  LEU  70          2HD1      LEU  70   7.643  -0.621 -12.266
  524   3HD1  LEU  70          3HD1      LEU  70   7.624   0.816 -13.283
  525   1HD2  LEU  70          1HD2      LEU  70   8.635   0.577  -9.750
  526   2HD2  LEU  70          2HD2      LEU  70   7.097   1.061  -9.031
  527   3HD2  LEU  70          3HD2      LEU  70   7.228  -0.510  -9.838
  528    H    LYS  71           H        LYS  71   8.011   4.672 -13.860
  529    HA   LYS  71           HA       LYS  71   7.999   2.570 -15.709
  530   1HB   LYS  71          1HB       LYS  71   5.601   3.679 -16.048
  531   2HB   LYS  71          2HB       LYS  71   6.495   4.894 -16.947
  532   1HG   LYS  71          1HG       LYS  71   7.300   3.224 -18.520
  533   2HG   LYS  71          2HG       LYS  71   6.780   1.896 -17.463
  534   1HD   LYS  71          1HD       LYS  71   4.425   2.460 -17.853
  535   2HD   LYS  71          2HD       LYS  71   4.896   3.878 -18.802
  536   1HE   LYS  71          1HE       LYS  71   4.270   2.056 -20.300
  537   2HE   LYS  71          2HE       LYS  71   5.986   2.453 -20.481
  538   1HZ   LYS  71          1HZ       LYS  71   5.536   0.048 -20.391
  539   2HZ   LYS  71          2HZ       LYS  71   6.594   0.523 -19.264
  540   3HZ   LYS  71          3HZ       LYS  71   5.055   0.186 -18.816
  541    H    GLN  72           H        GLN  72   8.990   3.271 -17.798
  542    HA   GLN  72           HA       GLN  72  10.730   5.363 -18.317
  543   1HB   GLN  72          1HB       GLN  72  11.818   4.956 -16.134
  544   2HB   GLN  72          2HB       GLN  72  12.027   3.245 -16.523
  545   1HG   GLN  72          1HG       GLN  72  13.541   3.869 -18.389
  546   2HG   GLN  72          2HG       GLN  72  13.291   5.581 -18.032
  547   1HE2  GLN  72          1HE2      GLN  72  15.868   4.199 -18.043
  548   2HE2  GLN  72          2HE2      GLN  72  16.443   4.329 -16.376
  549    H    GLN  73           H        GLN  73  10.472   1.780 -18.056
  550    HA   GLN  73           HA       GLN  73  11.527   1.413 -20.743
  551   1HB   GLN  73          1HB       GLN  73  11.078  -0.978 -20.336
  552   2HB   GLN  73          2HB       GLN  73  12.061  -0.218 -19.102
  553   1HG   GLN  73          1HG       GLN  73  10.657  -1.641 -17.908
  554   2HG   GLN  73          2HG       GLN  73   9.960  -0.055 -17.630
  555   1HE2  GLN  73          1HE2      GLN  73   9.638  -2.853 -19.943
  556   2HE2  GLN  73          2HE2      GLN  73   7.883  -2.785 -19.924
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  -7.814 -12.690 -11.060
    2   2H    MET   1          2H        MET   1  -7.829 -11.972  -9.590
    3   3H    MET   1          3H        MET   1  -8.843 -13.204  -9.883
    4    HA   MET   1           HA       MET   1  -6.917 -13.820  -8.502
    5   1HB   MET   1          1HB       MET   1  -6.230 -15.827  -9.697
    6   2HB   MET   1          2HB       MET   1  -7.966 -15.565  -9.856
    7   1HG   MET   1          1HG       MET   1  -7.492 -14.530 -12.150
    8   2HG   MET   1          2HG       MET   1  -5.823 -15.063 -11.951
    9   1HE   MET   1          1HE       MET   1  -9.445 -16.711 -11.295
   10   2HE   MET   1          2HE       MET   1  -9.440 -15.958 -12.909
   11   3HE   MET   1          3HE       MET   1  -9.514 -17.725 -12.751
   12    H    ALA   2           H        ALA   2  -4.728 -13.446  -8.051
   13    HA   ALA   2           HA       ALA   2  -2.723 -12.452  -8.166
   14   1HB   ALA   2          1HB       ALA   2  -1.359 -12.759 -10.161
   15   2HB   ALA   2          2HB       ALA   2  -2.301 -14.229  -9.860
   16   3HB   ALA   2          3HB       ALA   2  -2.789 -13.095 -11.144
   17    H    GLN   3           H        GLN   3  -5.054 -10.770  -8.393
   18    HA   GLN   3           HA       GLN   3  -4.562  -8.736 -10.418
   19   1HB   GLN   3          1HB       GLN   3  -6.652  -7.777  -9.688
   20   2HB   GLN   3          2HB       GLN   3  -6.830  -9.483 -10.024
   21   1HG   GLN   3          1HG       GLN   3  -6.614  -8.351  -7.185
   22   2HG   GLN   3          2HG       GLN   3  -8.115  -8.533  -8.059
   23   1HE2  GLN   3          1HE2      GLN   3  -8.309  -9.854  -5.780
   24   2HE2  GLN   3          2HE2      GLN   3  -8.051 -11.562  -6.047
   25    H    THR   4           H        THR   4  -2.309  -8.542  -9.155
   26    HA   THR   4           HA       THR   4  -2.549  -6.742  -6.815
   27    HB   THR   4           HB       THR   4  -1.246  -8.747  -6.540
   28    HG1  THR   4           HG1      THR   4   0.502  -6.545  -6.705
   29   1HG2  THR   4          1HG2      THR   4   0.617  -7.675  -8.731
   30   2HG2  THR   4          2HG2      THR   4   0.953  -9.045  -7.655
   31   3HG2  THR   4          3HG2      THR   4  -0.367  -9.148  -8.829
   32    H    ILE   5           H        ILE   5  -1.836  -4.849  -6.566
   33    HA   ILE   5           HA       ILE   5  -0.777  -3.295  -8.872
   34    HB   ILE   5           HB       ILE   5  -1.248  -2.348  -6.017
   35   1HG1  ILE   5          1HG1      ILE   5  -3.422  -3.001  -6.725
   36   2HG1  ILE   5          2HG1      ILE   5  -3.325  -1.252  -6.784
   37   1HG2  ILE   5          1HG2      ILE   5   0.290  -0.970  -7.341
   38   2HG2  ILE   5          2HG2      ILE   5  -0.890  -0.843  -8.653
   39   3HG2  ILE   5          3HG2      ILE   5  -1.226  -0.104  -7.071
   40   1HD1  ILE   5          1HD1      ILE   5  -4.577  -2.108  -8.698
   41   2HD1  ILE   5          2HD1      ILE   5  -3.088  -1.341  -9.264
   42   3HD1  ILE   5          3HD1      ILE   5  -3.213  -3.116  -9.201
   43    H    ASN   6           H        ASN   6   1.342  -3.069  -9.086
   44    HA   ASN   6           HA       ASN   6   3.118  -3.266  -6.713
   45   1HB   ASN   6          1HB       ASN   6   4.899  -4.071  -8.457
   46   2HB   ASN   6          2HB       ASN   6   3.828  -5.212  -7.659
   47   1HD2  ASN   6          1HD2      ASN   6   3.392  -3.116 -10.614
   48   2HD2  ASN   6          2HD2      ASN   6   2.852  -4.493 -11.579
   49    H    LEU   7           H        LEU   7   3.876  -1.315  -6.335
   50    HA   LEU   7           HA       LEU   7   4.688   0.482  -8.511
   51   1HB   LEU   7          1HB       LEU   7   3.148   2.141  -8.226
   52   2HB   LEU   7          2HB       LEU   7   2.154   0.710  -8.126
   53    HG   LEU   7           HG       LEU   7   3.022   2.548  -5.867
   54   1HD1  LEU   7          1HD1      LEU   7   1.210   3.350  -7.302
   55   2HD1  LEU   7          2HD1      LEU   7   0.287   1.862  -7.002
   56   3HD1  LEU   7          3HD1      LEU   7   0.619   2.987  -5.668
   57   1HD2  LEU   7          1HD2      LEU   7   3.004   0.282  -4.902
   58   2HD2  LEU   7          2HD2      LEU   7   1.613   1.200  -4.329
   59   3HD2  LEU   7          3HD2      LEU   7   1.399  -0.027  -5.593
   60    H    GLN   8           H        GLN   8   5.327   2.726  -7.315
   61    HA   GLN   8           HA       GLN   8   6.982   2.019  -4.932
   62   1HB   GLN   8          1HB       GLN   8   7.435   3.892  -7.249
   63   2HB   GLN   8          2HB       GLN   8   8.137   4.252  -5.661
   64   1HG   GLN   8          1HG       GLN   8   9.438   2.264  -5.653
   65   2HG   GLN   8          2HG       GLN   8   8.582   1.584  -7.023
   66   1HE2  GLN   8          1HE2      GLN   8  10.437   4.668  -6.155
   67   2HE2  GLN   8          2HE2      GLN   8  11.230   4.704  -7.715
   68    H    LEU   9           H        LEU   9   7.204   3.669  -3.335
   69    HA   LEU   9           HA       LEU   9   4.697   5.258  -3.096
   70   1HB   LEU   9          1HB       LEU   9   5.136   2.993  -1.677
   71   2HB   LEU   9          2HB       LEU   9   6.024   4.128  -0.658
   72    HG   LEU   9           HG       LEU   9   3.887   5.606  -0.747
   73   1HD1  LEU   9          1HD1      LEU   9   2.801   4.407  -2.698
   74   2HD1  LEU   9          2HD1      LEU   9   2.611   2.984  -1.663
   75   3HD1  LEU   9          3HD1      LEU   9   1.781   4.505  -1.267
   76   1HD2  LEU   9          1HD2      LEU   9   4.508   4.317   1.245
   77   2HD2  LEU   9          2HD2      LEU   9   2.762   4.358   0.995
   78   3HD2  LEU   9          3HD2      LEU   9   3.682   2.882   0.593
   79    H    GLU  10           H        GLU  10   4.734   7.102  -1.858
   80    HA   GLU  10           HA       GLU  10   7.296   8.608  -2.048
   81   1HB   GLU  10          1HB       GLU  10   5.575   8.557  -4.008
   82   2HB   GLU  10          2HB       GLU  10   4.545   9.528  -2.994
   83   1HG   GLU  10          1HG       GLU  10   7.412  10.275  -3.643
   84   2HG   GLU  10          2HG       GLU  10   6.087  10.647  -4.762
   85    H    GLY  11           H        GLY  11   7.054  10.822  -0.888
   86   1HA   GLY  11          1HA       GLY  11   6.649  11.985   1.053
   87   2HA   GLY  11          2HA       GLY  11   5.289  10.896   1.428
   88    H    MET  12           H        MET  12   6.527   8.533   1.464
   89    HA   MET  12           HA       MET  12   7.253   7.224   3.381
   90   1HB   MET  12          1HB       MET  12   9.188   7.643   1.114
   91   2HB   MET  12          2HB       MET  12   9.449   6.374   2.313
   92   1HG   MET  12          1HG       MET  12   6.837   6.627   0.797
   93   2HG   MET  12          2HG       MET  12   8.192   5.687   0.217
   94   1HE   MET  12          1HE       MET  12   8.106   2.447   2.030
   95   2HE   MET  12          2HE       MET  12   8.208   3.261   0.461
   96   3HE   MET  12          3HE       MET  12   9.347   3.704   1.759
   97    H    ARG  13           H        ARG  13   7.516   9.598   4.753
   98    HA   ARG  13           HA       ARG  13  10.235  10.084   5.482
   99   1HB   ARG  13          1HB       ARG  13   8.376  11.757   5.333
  100   2HB   ARG  13          2HB       ARG  13   7.761  11.182   6.874
  101   1HG   ARG  13          1HG       ARG  13  10.676  12.013   6.618
  102   2HG   ARG  13          2HG       ARG  13   9.451  13.264   6.585
  103   1HD   ARG  13          1HD       ARG  13   9.812  11.319   8.900
  104   2HD   ARG  13          2HD       ARG  13  10.483  12.940   8.794
  105    HE   ARG  13           HE       ARG  13   7.558  12.642   8.464
  106   1HH1  ARG  13          1HH1      ARG  13  10.144  13.660  10.655
  107   2HH1  ARG  13          2HH1      ARG  13   9.085  14.690  11.573
  108   1HH2  ARG  13          1HH2      ARG  13   6.244  13.951   9.711
  109   2HH2  ARG  13          2HH2      ARG  13   6.895  14.818  11.066
  110    H    CYS  14           H        CYS  14  10.758   7.961   6.068
  111    HA   CYS  14           HA       CYS  14  11.940   6.792   7.668
  112   1HB   CYS  14          1HB       CYS  14  10.351   8.263   9.819
  113   2HB   CYS  14          2HB       CYS  14  11.703   7.167  10.101
  114    HG   CYS  14           HG       CYS  14  11.988   9.617   7.937
  115    H    ALA  15           H        ALA  15  11.593   4.945   9.126
  116    HA   ALA  15           HA       ALA  15   9.848   3.243   7.734
  117   1HB   ALA  15          1HB       ALA  15  10.856   1.508   9.153
  118   2HB   ALA  15          2HB       ALA  15  12.087   2.658   8.613
  119   3HB   ALA  15          3HB       ALA  15  11.453   2.741  10.279
  120    H    ALA  16           H        ALA  16   8.540   5.246   9.873
  121    HA   ALA  16           HA       ALA  16   7.004   3.474  11.596
  122   1HB   ALA  16          1HB       ALA  16   5.879   5.615  12.234
  123   2HB   ALA  16          2HB       ALA  16   7.646   5.708  12.351
  124   3HB   ALA  16          3HB       ALA  16   6.809   6.468  10.981
  125    H    CYS  17           H        CYS  17   5.387   5.927   9.517
  126    HA   CYS  17           HA       CYS  17   3.071   4.494   9.473
  127   1HB   CYS  17          1HB       CYS  17   3.867   6.589   7.408
  128   2HB   CYS  17          2HB       CYS  17   2.260   6.196   8.014
  129    HG   CYS  17           HG       CYS  17   2.939   8.500   8.872
  130    H    ALA  18           H        ALA  18   5.710   3.672   7.453
  131    HA   ALA  18           HA       ALA  18   4.387   3.023   4.991
  132   1HB   ALA  18          1HB       ALA  18   6.836   3.262   5.136
  133   2HB   ALA  18          2HB       ALA  18   6.937   1.891   6.261
  134   3HB   ALA  18          3HB       ALA  18   6.420   1.640   4.581
  135    H    SER  19           H        SER  19   5.491   0.677   7.515
  136    HA   SER  19           HA       SER  19   3.747  -1.383   6.478
  137   1HB   SER  19          1HB       SER  19   5.919  -1.665   7.760
  138   2HB   SER  19          2HB       SER  19   4.978  -1.359   9.235
  139    HG   SER  19           HG       SER  19   4.493  -3.386   7.234
  140    H    SER  20           H        SER  20   3.025   1.336   8.484
  141    HA   SER  20           HA       SER  20   0.609   0.198   9.681
  142   1HB   SER  20          1HB       SER  20   1.743   2.250  10.578
  143   2HB   SER  20          2HB       SER  20   1.169   3.128   9.141
  144    HG   SER  20           HG       SER  20  -0.964   2.291   9.744
  145    H    ILE  21           H        ILE  21   1.412   1.026   6.455
  146    HA   ILE  21           HA       ILE  21  -1.353   1.288   5.436
  147    HB   ILE  21           HB       ILE  21   1.282   0.508   4.110
  148   1HG1  ILE  21          1HG1      ILE  21  -0.294   3.116   3.961
  149   2HG1  ILE  21          2HG1      ILE  21   1.059   2.860   5.048
  150   1HG2  ILE  21          1HG2      ILE  21   0.144   0.863   1.955
  151   2HG2  ILE  21          2HG2      ILE  21  -0.450  -0.525   2.847
  152   3HG2  ILE  21          3HG2      ILE  21  -1.401   0.966   2.819
  153   1HD1  ILE  21          1HD1      ILE  21   2.571   2.445   3.158
  154   2HD1  ILE  21          2HD1      ILE  21   1.244   2.818   2.037
  155   3HD1  ILE  21          3HD1      ILE  21   1.836   4.059   3.151
  156    H    GLU  22           H        GLU  22   1.082  -1.338   5.374
  157    HA   GLU  22           HA       GLU  22  -0.509  -3.415   4.467
  158   1HB   GLU  22          1HB       GLU  22   1.754  -3.637   6.496
  159   2HB   GLU  22          2HB       GLU  22   1.195  -4.895   5.395
  160   1HG   GLU  22          1HG       GLU  22   1.965  -3.557   3.451
  161   2HG   GLU  22          2HG       GLU  22   2.481  -2.261   4.521
  162    H    ARG  23           H        ARG  23   0.173  -2.671   7.940
  163    HA   ARG  23           HA       ARG  23  -1.541  -4.639   9.028
  164   1HB   ARG  23          1HB       ARG  23   0.272  -3.357  10.162
  165   2HB   ARG  23          2HB       ARG  23  -0.786  -1.951  10.252
  166   1HG   ARG  23          1HG       ARG  23  -2.319  -3.104  11.740
  167   2HG   ARG  23          2HG       ARG  23  -1.511  -4.658  11.465
  168   1HD   ARG  23          1HD       ARG  23   0.503  -3.862  12.586
  169   2HD   ARG  23          2HD       ARG  23  -0.206  -2.251  12.801
  170    HE   ARG  23           HE       ARG  23  -2.057  -3.693  14.060
  171   1HH1  ARG  23          1HH1      ARG  23   1.448  -4.038  14.393
  172   2HH1  ARG  23          2HH1      ARG  23   1.330  -4.614  16.029
  173   1HH2  ARG  23          1HH2      ARG  23  -2.134  -4.368  16.196
  174   2HH2  ARG  23          2HH2      ARG  23  -0.672  -4.789  17.031
  175    H    ALA  24           H        ALA  24  -2.449  -1.619   7.594
  176    HA   ALA  24           HA       ALA  24  -5.193  -1.609   8.760
  177   1HB   ALA  24          1HB       ALA  24  -3.968   0.526   8.616
  178   2HB   ALA  24          2HB       ALA  24  -3.792   0.325   6.858
  179   3HB   ALA  24          3HB       ALA  24  -5.407   0.534   7.559
  180    H    ILE  25           H        ILE  25  -3.562  -1.982   5.584
  181    HA   ILE  25           HA       ILE  25  -5.955  -2.522   4.059
  182    HB   ILE  25           HB       ILE  25  -2.985  -3.005   3.626
  183   1HG1  ILE  25          1HG1      ILE  25  -5.058  -1.009   2.615
  184   2HG1  ILE  25          2HG1      ILE  25  -3.640  -0.675   3.606
  185   1HG2  ILE  25          1HG2      ILE  25  -5.146  -3.431   1.525
  186   2HG2  ILE  25          2HG2      ILE  25  -3.373  -3.660   1.409
  187   3HG2  ILE  25          3HG2      ILE  25  -4.304  -4.759   2.365
  188   1HD1  ILE  25          1HD1      ILE  25  -3.760  -1.308   0.657
  189   2HD1  ILE  25          2HD1      ILE  25  -3.134   0.133   1.446
  190   3HD1  ILE  25          3HD1      ILE  25  -2.235  -1.399   1.572
  191    H    ALA  26           H        ALA  26  -3.851  -4.574   5.965
  192    HA   ALA  26           HA       ALA  26  -4.895  -7.112   5.420
  193   1HB   ALA  26          1HB       ALA  26  -4.088  -5.880   8.094
  194   2HB   ALA  26          2HB       ALA  26  -4.188  -7.625   7.744
  195   3HB   ALA  26          3HB       ALA  26  -2.995  -6.622   6.909
  196    H    LYS  27           H        LYS  27  -6.892  -4.509   6.465
  197    HA   LYS  27           HA       LYS  27  -9.012  -6.310   7.471
  198   1HB   LYS  27          1HB       LYS  27  -8.665  -3.299   7.374
  199   2HB   LYS  27          2HB       LYS  27 -10.170  -4.089   7.783
  200   1HG   LYS  27          1HG       LYS  27  -9.076  -3.500   9.758
  201   2HG   LYS  27          2HG       LYS  27  -9.168  -5.250   9.670
  202   1HD   LYS  27          1HD       LYS  27  -6.534  -4.391   8.714
  203   2HD   LYS  27          2HD       LYS  27  -6.950  -3.462  10.087
  204   1HE   LYS  27          1HE       LYS  27  -5.687  -5.414  10.759
  205   2HE   LYS  27          2HE       LYS  27  -7.312  -5.450  11.464
  206   1HZ   LYS  27          1HZ       LYS  27  -6.667  -7.619  10.553
  207   2HZ   LYS  27          2HZ       LYS  27  -7.952  -7.022   9.717
  208   3HZ   LYS  27          3HZ       LYS  27  -6.482  -6.982   9.049
  209    H    VAL  28           H        VAL  28  -7.983  -4.966   4.456
  210    HA   VAL  28           HA       VAL  28 -10.654  -4.506   3.327
  211    HB   VAL  28           HB       VAL  28  -7.934  -4.644   1.935
  212   1HG1  VAL  28          1HG1      VAL  28  -9.794  -5.084   0.363
  213   2HG1  VAL  28          2HG1      VAL  28 -10.632  -3.623   0.931
  214   3HG1  VAL  28          3HG1      VAL  28  -9.090  -3.489   0.068
  215   1HG2  VAL  28          1HG2      VAL  28  -9.599  -2.215   2.758
  216   2HG2  VAL  28          2HG2      VAL  28  -8.097  -2.732   3.543
  217   3HG2  VAL  28          3HG2      VAL  28  -8.062  -2.181   1.864
  218    HA   PRO  29           HA       PRO  29 -11.157  -8.794   3.082
  219   1HB   PRO  29          1HB       PRO  29 -13.231  -9.097   1.241
  220   2HB   PRO  29          2HB       PRO  29 -13.416  -8.572   2.941
  221   1HG   PRO  29          1HG       PRO  29 -13.197  -6.838   0.463
  222   2HG   PRO  29          2HG       PRO  29 -14.371  -6.704   1.816
  223   1HD   PRO  29          1HD       PRO  29 -12.185  -5.130   1.735
  224   2HD   PRO  29          2HD       PRO  29 -12.701  -5.854   3.288
  225    H    GLY  30           H        GLY  30 -10.561  -7.162  -0.034
  226   1HA   GLY  30          1HA       GLY  30  -9.900  -9.596  -1.477
  227   2HA   GLY  30          2HA       GLY  30  -9.641  -7.918  -2.001
  228    H    VAL  31           H        VAL  31  -8.188  -8.516   1.017
  229    HA   VAL  31           HA       VAL  31  -5.550  -8.103  -0.064
  230    HB   VAL  31           HB       VAL  31  -6.189  -7.211   2.077
  231   1HG1  VAL  31          1HG1      VAL  31  -6.366  -8.378   4.112
  232   2HG1  VAL  31          2HG1      VAL  31  -7.412  -9.278   3.003
  233   3HG1  VAL  31          3HG1      VAL  31  -5.805  -9.905   3.421
  234   1HG2  VAL  31          1HG2      VAL  31  -3.776  -9.063   2.225
  235   2HG2  VAL  31          2HG2      VAL  31  -3.832  -7.479   1.424
  236   3HG2  VAL  31          3HG2      VAL  31  -4.044  -7.590   3.181
  237    H    GLN  32           H        GLN  32  -4.815  -9.588  -1.383
  238    HA   GLN  32           HA       GLN  32  -4.346 -12.339  -0.258
  239   1HB   GLN  32          1HB       GLN  32  -4.249 -13.294  -2.436
  240   2HB   GLN  32          2HB       GLN  32  -5.765 -12.439  -2.230
  241   1HG   GLN  32          1HG       GLN  32  -5.399 -11.308  -4.128
  242   2HG   GLN  32          2HG       GLN  32  -4.015 -10.551  -3.356
  243   1HE2  GLN  32          1HE2      GLN  32  -1.995 -12.353  -3.306
  244   2HE2  GLN  32          2HE2      GLN  32  -1.645 -12.867  -4.954
  245    H    SER  33           H        SER  33  -2.728  -9.492  -0.559
  246    HA   SER  33           HA       SER  33  -1.567 -10.134   1.498
  247   1HB   SER  33          1HB       SER  33  -0.782 -12.341   0.799
  248   2HB   SER  33          2HB       SER  33   0.441 -11.567  -0.241
  249    HG   SER  33           HG       SER  33   1.543 -10.975   1.484
  250    H    CYS  34           H        CYS  34   0.069  -8.822   2.389
  251    HA   CYS  34           HA       CYS  34   0.742  -6.512   0.613
  252   1HB   CYS  34          1HB       CYS  34   0.499  -6.671   3.649
  253   2HB   CYS  34          2HB       CYS  34   0.804  -5.214   2.711
  254    HG   CYS  34           HG       CYS  34  -1.893  -7.139   2.717
  255    H    GLN  35           H        GLN  35   2.748  -6.044   0.206
  256    HA   GLN  35           HA       GLN  35   4.870  -6.577   2.180
  257   1HB   GLN  35          1HB       GLN  35   5.195  -7.408  -0.741
  258   2HB   GLN  35          2HB       GLN  35   6.390  -7.497   0.526
  259   1HG   GLN  35          1HG       GLN  35   5.668  -9.702   0.150
  260   2HG   GLN  35          2HG       GLN  35   4.991  -9.221   1.705
  261   1HE2  GLN  35          1HE2      GLN  35   3.498  -8.254  -1.447
  262   2HE2  GLN  35          2HE2      GLN  35   2.037  -9.155  -1.117
  263    H    VAL  36           H        VAL  36   5.558  -4.580   2.521
  264    HA   VAL  36           HA       VAL  36   6.242  -2.759   0.282
  265    HB   VAL  36           HB       VAL  36   4.784  -2.074   2.294
  266   1HG1  VAL  36          1HG1      VAL  36   6.365  -2.981   4.080
  267   2HG1  VAL  36          2HG1      VAL  36   7.464  -1.647   3.693
  268   3HG1  VAL  36          3HG1      VAL  36   5.838  -1.303   4.309
  269   1HG2  VAL  36          1HG2      VAL  36   5.682  -0.469   0.662
  270   2HG2  VAL  36          2HG2      VAL  36   5.614   0.207   2.293
  271   3HG2  VAL  36          3HG2      VAL  36   7.170  -0.307   1.620
  272    H    ASN  37           H        ASN  37   8.294  -1.727   0.161
  273    HA   ASN  37           HA       ASN  37  10.539  -3.092   1.616
  274   1HB   ASN  37          1HB       ASN  37  10.185  -3.904  -0.675
  275   2HB   ASN  37          2HB       ASN  37  10.386  -2.265  -1.305
  276   1HD2  ASN  37          1HD2      ASN  37  11.942  -4.755  -1.804
  277   2HD2  ASN  37          2HD2      ASN  37  13.609  -4.369  -1.348
  278    H    PHE  38           H        PHE  38  10.960  -1.540   3.114
  279    HA   PHE  38           HA       PHE  38  11.156   1.266   2.440
  280   1HB   PHE  38          1HB       PHE  38  10.353   0.139   4.652
  281   2HB   PHE  38          2HB       PHE  38  12.065   0.084   5.067
  282    HD1  PHE  38           HD1      PHE  38  13.225   2.167   5.705
  283    HD2  PHE  38           HD2      PHE  38   9.207   2.290   4.145
  284    HE1  PHE  38           HE1      PHE  38  13.151   4.611   6.086
  285    HE2  PHE  38           HE2      PHE  38   9.128   4.738   4.551
  286    HZ   PHE  38           HZ       PHE  38  11.119   5.904   5.452
  287    H    ALA  39           H        ALA  39  12.943  -0.189   0.840
  288    HA   ALA  39           HA       ALA  39  15.396   1.357   1.395
  289   1HB   ALA  39          1HB       ALA  39  16.844  -0.565   0.843
  290   2HB   ALA  39          2HB       ALA  39  15.881  -0.904   2.293
  291   3HB   ALA  39          3HB       ALA  39  15.429  -1.633   0.738
  292    H    LEU  40           H        LEU  40  13.402  -0.562  -0.934
  293    HA   LEU  40           HA       LEU  40  14.448   1.078  -3.136
  294   1HB   LEU  40          1HB       LEU  40  15.284  -1.120  -3.190
  295   2HB   LEU  40          2HB       LEU  40  13.794  -1.821  -2.583
  296    HG   LEU  40           HG       LEU  40  12.696  -1.467  -4.606
  297   1HD1  LEU  40          1HD1      LEU  40  15.405  -0.618  -5.784
  298   2HD1  LEU  40          2HD1      LEU  40  13.925  -0.891  -6.729
  299   3HD1  LEU  40          3HD1      LEU  40  14.013   0.460  -5.589
  300   1HD2  LEU  40          1HD2      LEU  40  13.845  -3.256  -5.906
  301   2HD2  LEU  40          2HD2      LEU  40  15.298  -3.013  -4.914
  302   3HD2  LEU  40          3HD2      LEU  40  13.798  -3.604  -4.168
  303    H    GLU  41           H        GLU  41  12.089   1.492  -1.239
  304    HA   GLU  41           HA       GLU  41  10.186   2.686  -1.282
  305   1HB   GLU  41          1HB       GLU  41  10.951   3.086  -4.200
  306   2HB   GLU  41          2HB       GLU  41   9.540   3.821  -3.456
  307   1HG   GLU  41          1HG       GLU  41  11.042   4.895  -1.761
  308   2HG   GLU  41          2HG       GLU  41  12.422   4.338  -2.728
  309    H    GLN  42           H        GLN  42  10.125  -0.257  -3.105
  310    HA   GLN  42           HA       GLN  42   7.568   0.223  -4.249
  311   1HB   GLN  42          1HB       GLN  42   7.429  -1.889  -5.039
  312   2HB   GLN  42          2HB       GLN  42   9.094  -1.451  -5.153
  313   1HG   GLN  42          1HG       GLN  42   8.403  -3.000  -2.630
  314   2HG   GLN  42          2HG       GLN  42   7.871  -3.802  -4.076
  315   1HE2  GLN  42          1HE2      GLN  42  10.515  -2.508  -5.449
  316   2HE2  GLN  42          2HE2      GLN  42  11.715  -3.646  -4.846
  317    H    ALA  43           H        ALA  43   5.521  -0.482  -3.841
  318    HA   ALA  43           HA       ALA  43   5.118  -2.307  -1.519
  319   1HB   ALA  43          1HB       ALA  43   3.979  -0.187  -0.971
  320   2HB   ALA  43          2HB       ALA  43   3.148  -0.206  -2.539
  321   3HB   ALA  43          3HB       ALA  43   2.792  -1.455  -1.324
  322    H    VAL  44           H        VAL  44   4.187  -4.202  -2.063
  323    HA   VAL  44           HA       VAL  44   2.765  -4.349  -4.664
  324    HB   VAL  44           HB       VAL  44   4.780  -5.494  -5.163
  325   1HG1  VAL  44          1HG1      VAL  44   5.604  -7.478  -4.056
  326   2HG1  VAL  44          2HG1      VAL  44   5.545  -6.149  -2.893
  327   3HG1  VAL  44          3HG1      VAL  44   4.298  -7.421  -2.867
  328   1HG2  VAL  44          1HG2      VAL  44   2.635  -6.395  -6.052
  329   2HG2  VAL  44          2HG2      VAL  44   3.904  -7.623  -5.918
  330   3HG2  VAL  44          3HG2      VAL  44   2.596  -7.570  -4.723
  331    H    VAL  45           H        VAL  45   0.765  -4.867  -4.457
  332    HA   VAL  45           HA       VAL  45  -0.174  -6.672  -2.352
  333    HB   VAL  45           HB       VAL  45  -1.477  -3.958  -2.308
  334   1HG1  VAL  45          1HG1      VAL  45  -2.773  -5.784  -1.394
  335   2HG1  VAL  45          2HG1      VAL  45  -1.399  -6.354  -0.430
  336   3HG1  VAL  45          3HG1      VAL  45  -2.180  -4.824  -0.041
  337   1HG2  VAL  45          1HG2      VAL  45  -0.370  -3.303  -0.257
  338   2HG2  VAL  45          2HG2      VAL  45   0.751  -4.664  -0.383
  339   3HG2  VAL  45          3HG2      VAL  45   0.768  -3.371  -1.599
  340    H    SER  46           H        SER  46  -1.803  -7.795  -3.191
  341    HA   SER  46           HA       SER  46  -3.777  -6.424  -5.012
  342   1HB   SER  46          1HB       SER  46  -3.432  -8.423  -6.125
  343   2HB   SER  46          2HB       SER  46  -3.084  -9.320  -4.710
  344    HG   SER  46           HG       SER  46  -5.425  -9.075  -4.225
  345    H    TYR  47           H        TYR  47  -5.203  -5.455  -3.893
  346    HA   TYR  47           HA       TYR  47  -6.334  -6.627  -1.397
  347   1HB   TYR  47          1HB       TYR  47  -6.746  -4.088  -0.840
  348   2HB   TYR  47          2HB       TYR  47  -5.236  -4.903  -0.540
  349    HD1  TYR  47           HD1      TYR  47  -3.627  -3.265  -0.566
  350    HD2  TYR  47           HD2      TYR  47  -6.467  -3.329  -3.758
  351    HE1  TYR  47           HE1      TYR  47  -2.310  -1.523  -1.698
  352    HE2  TYR  47           HE2      TYR  47  -5.061  -1.637  -4.982
  353    HH   TYR  47           HH       TYR  47  -2.131  -0.210  -3.555
  354    H    HIS  48           H        HIS  48  -7.213  -7.025  -4.134
  355    HA   HIS  48           HA       HIS  48  -9.913  -5.717  -4.192
  356   1HB   HIS  48          1HB       HIS  48  -8.350  -6.712  -6.587
  357   2HB   HIS  48          2HB       HIS  48  -9.729  -5.638  -6.580
  358    HD2  HIS  48           HD2      HIS  48  -5.996  -5.754  -6.407
  359    HE1  HIS  48           HE1      HIS  48  -7.059  -1.613  -6.206
  360    HE2  HIS  48           HE2      HIS  48  -5.138  -3.270  -6.641
  361    H    GLY  49           H        GLY  49 -11.478  -6.934  -5.548
  362   1HA   GLY  49          1HA       GLY  49 -10.973  -9.893  -5.857
  363   2HA   GLY  49          2HA       GLY  49 -12.592  -9.161  -5.805
  364    H    GLU  50           H        GLU  50 -12.709 -10.227  -7.996
  365    HA   GLU  50           HA       GLU  50 -11.817  -8.735 -10.258
  366   1HB   GLU  50          1HB       GLU  50 -14.156 -10.597  -9.709
  367   2HB   GLU  50          2HB       GLU  50 -13.917  -9.831 -11.276
  368   1HG   GLU  50          1HG       GLU  50 -13.005 -12.059 -11.325
  369   2HG   GLU  50          2HG       GLU  50 -11.755 -10.850 -11.575
  370    H    THR  51           H        THR  51 -12.187  -6.815  -8.572
  371    HA   THR  51           HA       THR  51 -13.735  -4.763  -9.605
  372    HB   THR  51           HB       THR  51 -15.760  -5.803  -8.872
  373    HG1  THR  51           HG1      THR  51 -16.389  -4.124  -7.480
  374   1HG2  THR  51          1HG2      THR  51 -14.626  -5.849  -6.035
  375   2HG2  THR  51          2HG2      THR  51 -16.275  -6.281  -6.531
  376   3HG2  THR  51          3HG2      THR  51 -14.911  -7.282  -7.046
  377    H    THR  52           H        THR  52 -12.971  -2.895  -8.758
  378    HA   THR  52           HA       THR  52 -10.625  -3.245  -6.975
  379    HB   THR  52           HB       THR  52  -9.852  -2.662  -9.028
  380    HG1  THR  52           HG1      THR  52 -10.235  -0.246  -7.637
  381   1HG2  THR  52          1HG2      THR  52 -11.991  -0.501  -9.300
  382   2HG2  THR  52          2HG2      THR  52 -10.595  -0.709 -10.373
  383   3HG2  THR  52          3HG2      THR  52 -11.822  -1.975 -10.280
  384    HA   PRO  53           HA       PRO  53 -13.007  -0.460  -4.203
  385   1HB   PRO  53          1HB       PRO  53 -11.651  -1.070  -1.887
  386   2HB   PRO  53          2HB       PRO  53 -13.024  -2.029  -2.514
  387   1HG   PRO  53          1HG       PRO  53 -10.058  -2.568  -2.884
  388   2HG   PRO  53          2HG       PRO  53 -11.337  -3.716  -2.376
  389   1HD   PRO  53          1HD       PRO  53 -10.507  -3.599  -4.936
  390   2HD   PRO  53          2HD       PRO  53 -12.235  -3.826  -4.565
  391    H    GLN  54           H        GLN  54 -12.333   1.550  -4.735
  392    HA   GLN  54           HA       GLN  54  -9.615   2.305  -5.081
  393   1HB   GLN  54          1HB       GLN  54 -10.462   4.566  -5.417
  394   2HB   GLN  54          2HB       GLN  54 -11.325   3.339  -6.337
  395   1HG   GLN  54          1HG       GLN  54 -13.166   3.415  -4.580
  396   2HG   GLN  54          2HG       GLN  54 -12.304   4.766  -3.824
  397   1HE2  GLN  54          1HE2      GLN  54 -13.624   3.736  -7.077
  398   2HE2  GLN  54          2HE2      GLN  54 -14.080   5.392  -7.482
  399    H    ILE  55           H        ILE  55 -11.025   1.724  -2.201
  400    HA   ILE  55           HA       ILE  55  -9.594   3.330  -0.316
  401    HB   ILE  55           HB       ILE  55 -10.371   0.386  -0.316
  402   1HG1  ILE  55          1HG1      ILE  55 -11.717   2.783   1.024
  403   2HG1  ILE  55          2HG1      ILE  55 -12.258   2.070  -0.491
  404   1HG2  ILE  55          1HG2      ILE  55  -8.600   0.683   1.347
  405   2HG2  ILE  55          2HG2      ILE  55  -9.431   2.104   2.022
  406   3HG2  ILE  55          3HG2      ILE  55 -10.123   0.475   2.170
  407   1HD1  ILE  55          1HD1      ILE  55 -12.634  -0.113   0.689
  408   2HD1  ILE  55          2HD1      ILE  55 -12.323   0.734   2.227
  409   3HD1  ILE  55          3HD1      ILE  55 -13.676   1.227   1.208
  410    H    LEU  56           H        LEU  56  -8.399   1.124  -2.731
  411    HA   LEU  56           HA       LEU  56  -5.772   0.598  -1.907
  412   1HB   LEU  56          1HB       LEU  56  -5.220   0.563  -4.215
  413   2HB   LEU  56          2HB       LEU  56  -6.855  -0.054  -4.059
  414    HG   LEU  56           HG       LEU  56  -7.375   2.557  -4.719
  415   1HD1  LEU  56          1HD1      LEU  56  -4.903   3.106  -4.957
  416   2HD1  LEU  56          2HD1      LEU  56  -4.786   1.863  -6.205
  417   3HD1  LEU  56          3HD1      LEU  56  -5.805   3.294  -6.465
  418   1HD2  LEU  56          1HD2      LEU  56  -8.207   0.516  -5.897
  419   2HD2  LEU  56          2HD2      LEU  56  -7.739   1.819  -6.998
  420   3HD2  LEU  56          3HD2      LEU  56  -6.661   0.431  -6.772
  421    H    THR  57           H        THR  57  -7.027   3.653  -3.156
  422    HA   THR  57           HA       THR  57  -4.557   5.158  -2.882
  423    HB   THR  57           HB       THR  57  -7.429   6.179  -3.044
  424    HG1  THR  57           HG1      THR  57  -7.217   6.035  -5.182
  425   1HG2  THR  57          1HG2      THR  57  -4.764   7.449  -3.831
  426   2HG2  THR  57          2HG2      THR  57  -6.374   8.151  -4.121
  427   3HG2  THR  57          3HG2      THR  57  -5.792   7.939  -2.466
  428    H    ASP  58           H        ASP  58  -7.616   5.255  -1.098
  429    HA   ASP  58           HA       ASP  58  -7.090   7.052   0.923
  430   1HB   ASP  58          1HB       ASP  58  -9.227   5.816   0.334
  431   2HB   ASP  58          2HB       ASP  58  -8.600   4.426   1.216
  432    H    ALA  59           H        ALA  59  -6.385   3.540   1.020
  433    HA   ALA  59           HA       ALA  59  -5.201   3.763   3.619
  434   1HB   ALA  59          1HB       ALA  59  -6.624   1.860   2.862
  435   2HB   ALA  59          2HB       ALA  59  -5.361   1.394   1.704
  436   3HB   ALA  59          3HB       ALA  59  -5.044   1.315   3.457
  437    H    VAL  60           H        VAL  60  -3.730   4.471   0.730
  438    HA   VAL  60           HA       VAL  60  -1.035   4.091   2.055
  439    HB   VAL  60           HB       VAL  60   0.008   5.091   0.152
  440   1HG1  VAL  60          1HG1      VAL  60  -1.705   2.670  -0.580
  441   2HG1  VAL  60          2HG1      VAL  60  -0.191   3.135  -1.373
  442   3HG1  VAL  60          3HG1      VAL  60  -0.182   2.629   0.321
  443   1HG2  VAL  60          1HG2      VAL  60  -2.530   4.855  -1.477
  444   2HG2  VAL  60          2HG2      VAL  60  -1.874   6.403  -0.873
  445   3HG2  VAL  60          3HG2      VAL  60  -0.944   5.423  -2.006
  446    H    GLU  61           H        GLU  61  -3.330   6.578   1.007
  447    HA   GLU  61           HA       GLU  61  -1.788   8.788   1.905
  448   1HB   GLU  61          1HB       GLU  61  -3.791   8.761   0.342
  449   2HB   GLU  61          2HB       GLU  61  -4.814   8.569   1.767
  450   1HG   GLU  61          1HG       GLU  61  -4.804  10.862   1.191
  451   2HG   GLU  61          2HG       GLU  61  -3.835  10.727   2.668
  452    H    ARG  62           H        ARG  62  -3.967   6.614   3.680
  453    HA   ARG  62           HA       ARG  62  -4.199   7.849   6.147
  454   1HB   ARG  62          1HB       ARG  62  -4.621   5.710   7.033
  455   2HB   ARG  62          2HB       ARG  62  -5.073   5.592   5.348
  456   1HG   ARG  62          1HG       ARG  62  -3.898   3.637   5.571
  457   2HG   ARG  62          2HG       ARG  62  -2.616   4.700   4.998
  458   1HD   ARG  62          1HD       ARG  62  -1.747   3.280   6.699
  459   2HD   ARG  62          2HD       ARG  62  -1.755   4.861   7.395
  460    HE   ARG  62           HE       ARG  62  -3.555   2.590   7.989
  461   1HH1  ARG  62          1HH1      ARG  62  -2.720   5.948   8.880
  462   2HH1  ARG  62          2HH1      ARG  62  -3.616   5.851  10.358
  463   1HH2  ARG  62          1HH2      ARG  62  -4.972   2.721   9.743
  464   2HH2  ARG  62          2HH2      ARG  62  -4.924   4.101  10.797
  465    H    ALA  63           H        ALA  63  -1.206   6.796   4.738
  466    HA   ALA  63           HA       ALA  63   0.257   6.762   7.324
  467   1HB   ALA  63          1HB       ALA  63   2.138   6.014   5.827
  468   2HB   ALA  63          2HB       ALA  63   0.693   5.003   5.644
  469   3HB   ALA  63          3HB       ALA  63   1.104   6.232   4.430
  470    H    GLY  64           H        GLY  64  -0.690   9.068   5.007
  471   1HA   GLY  64          1HA       GLY  64   0.003  11.261   4.635
  472   2HA   GLY  64          2HA       GLY  64   1.543  10.945   5.497
  473    H    TYR  65           H        TYR  65   0.781   8.296   3.392
  474    HA   TYR  65           HA       TYR  65   2.981   9.324   1.695
  475   1HB   TYR  65          1HB       TYR  65   2.335   6.490   2.361
  476   2HB   TYR  65          2HB       TYR  65   3.668   7.012   1.395
  477    HD1  TYR  65           HD1      TYR  65   4.252   5.217   3.517
  478    HD2  TYR  65           HD2      TYR  65   4.019   9.520   3.671
  479    HE1  TYR  65           HE1      TYR  65   5.851   5.259   5.415
  480    HE2  TYR  65           HE2      TYR  65   5.460   9.535   5.663
  481    HH   TYR  65           HH       TYR  65   7.037   6.592   6.956
  482    H    HIS  66           H        HIS  66   2.963   9.268  -0.292
  483    HA   HIS  66           HA       HIS  66   0.384   9.009  -1.744
  484   1HB   HIS  66          1HB       HIS  66   2.894  10.723  -2.125
  485   2HB   HIS  66          2HB       HIS  66   1.667  10.610  -3.377
  486    HD1  HIS  66           HD1      HIS  66  -0.511  12.050  -3.003
  487    HD2  HIS  66           HD2      HIS  66   1.842  11.542   0.434
  488    HE1  HIS  66           HE1      HIS  66  -1.671  13.280  -1.128
  489    HE2  HIS  66           HE2      HIS  66  -0.413  12.735   0.923
  490    H    ALA  67           H        ALA  67   0.542   8.407  -4.122
  491    HA   ALA  67           HA       ALA  67   2.234   5.973  -4.381
  492   1HB   ALA  67          1HB       ALA  67  -0.239   6.953  -5.885
  493   2HB   ALA  67          2HB       ALA  67   0.568   5.397  -6.139
  494   3HB   ALA  67          3HB       ALA  67  -0.208   5.740  -4.580
  495    H    ARG  68           H        ARG  68   3.674   5.605  -6.042
  496    HA   ARG  68           HA       ARG  68   3.721   7.421  -8.378
  497   1HB   ARG  68          1HB       ARG  68   6.252   7.436  -8.308
  498   2HB   ARG  68          2HB       ARG  68   5.431   8.460  -7.130
  499   1HG   ARG  68          1HG       ARG  68   5.884   6.885  -5.332
  500   2HG   ARG  68          2HG       ARG  68   6.421   5.693  -6.483
  501   1HD   ARG  68          1HD       ARG  68   8.260   6.632  -5.203
  502   2HD   ARG  68          2HD       ARG  68   8.463   6.849  -6.943
  503    HE   ARG  68           HE       ARG  68   7.285   9.216  -6.016
  504   1HH1  ARG  68          1HH1      ARG  68  10.210   7.444  -5.042
  505   2HH1  ARG  68          2HH1      ARG  68  11.038   8.832  -4.604
  506   1HH2  ARG  68          1HH2      ARG  68   8.551  11.096  -5.554
  507   2HH2  ARG  68          2HH2      ARG  68  10.180  10.876  -4.988
  508    H    VAL  69           H        VAL  69   4.373   6.381 -10.320
  509    HA   VAL  69           HA       VAL  69   4.195   3.530 -10.371
  510    HB   VAL  69           HB       VAL  69   4.739   3.866 -12.761
  511   1HG1  VAL  69          1HG1      VAL  69   2.642   4.977 -13.370
  512   2HG1  VAL  69          2HG1      VAL  69   2.408   3.944 -11.950
  513   3HG1  VAL  69          3HG1      VAL  69   2.539   5.706 -11.756
  514   1HG2  VAL  69          1HG2      VAL  69   6.202   5.858 -12.647
  515   2HG2  VAL  69          2HG2      VAL  69   4.860   6.098 -13.771
  516   3HG2  VAL  69          3HG2      VAL  69   4.808   6.850 -12.166
  517    H    LEU  70           H        LEU  70   5.704   2.054 -11.141
  518    HA   LEU  70           HA       LEU  70   8.541   2.781 -10.626
  519   1HB   LEU  70          1HB       LEU  70   8.969   0.771  -9.701
  520   2HB   LEU  70          2HB       LEU  70   7.380   1.096  -9.092
  521    HG   LEU  70           HG       LEU  70   6.561  -0.481 -11.044
  522   1HD1  LEU  70          1HD1      LEU  70   8.185  -2.268 -11.604
  523   2HD1  LEU  70          2HD1      LEU  70   8.823  -0.729 -12.183
  524   3HD1  LEU  70          3HD1      LEU  70   9.459  -1.434 -10.692
  525   1HD2  LEU  70          1HD2      LEU  70   6.427  -0.994  -8.619
  526   2HD2  LEU  70          2HD2      LEU  70   6.856  -2.430  -9.554
  527   3HD2  LEU  70          3HD2      LEU  70   8.104  -1.558  -8.635
  528    H    LYS  71           H        LYS  71   9.659   3.001 -12.397
  529    HA   LYS  71           HA       LYS  71  10.132   3.217 -14.624
  530   1HB   LYS  71          1HB       LYS  71  10.531   0.679 -14.056
  531   2HB   LYS  71          2HB       LYS  71   9.090   0.396 -15.014
  532   1HG   LYS  71          1HG       LYS  71  10.419   1.801 -16.868
  533   2HG   LYS  71          2HG       LYS  71  11.813   1.451 -15.851
  534   1HD   LYS  71          1HD       LYS  71  11.366  -0.988 -16.056
  535   2HD   LYS  71          2HD       LYS  71   9.878  -0.649 -16.941
  536   1HE   LYS  71          1HE       LYS  71  11.478  -1.263 -18.567
  537   2HE   LYS  71          2HE       LYS  71  11.183   0.465 -18.744
  538   1HZ   LYS  71          1HZ       LYS  71  13.545  -0.064 -18.836
  539   2HZ   LYS  71          2HZ       LYS  71  13.259   0.849 -17.496
  540   3HZ   LYS  71          3HZ       LYS  71  13.499  -0.770 -17.352
  541    H    GLN  72           H        GLN  72   8.680   1.799 -16.791
  542    HA   GLN  72           HA       GLN  72   5.988   1.894 -17.011
  543   1HB   GLN  72          1HB       GLN  72   6.066   4.393 -16.784
  544   2HB   GLN  72          2HB       GLN  72   7.161   4.472 -18.161
  545   1HG   GLN  72          1HG       GLN  72   4.837   5.046 -18.759
  546   2HG   GLN  72          2HG       GLN  72   5.356   3.624 -19.642
  547   1HE2  GLN  72          1HE2      GLN  72   3.669   1.906 -19.641
  548   2HE2  GLN  72          2HE2      GLN  72   2.599   1.786 -18.262
  549    H    GLN  73           H        GLN  73   5.456   1.216 -19.218
  550    HA   GLN  73           HA       GLN  73   7.093   1.462 -21.468
  551   1HB   GLN  73          1HB       GLN  73   7.662  -0.954 -21.855
  552   2HB   GLN  73          2HB       GLN  73   8.620  -0.143 -20.637
  553   1HG   GLN  73          1HG       GLN  73   7.076  -1.221 -18.867
  554   2HG   GLN  73          2HG       GLN  73   6.414  -2.189 -20.188
  555   1HE2  GLN  73          1HE2      GLN  73   7.517  -4.193 -20.478
  556   2HE2  GLN  73          2HE2      GLN  73   9.169  -4.440 -19.924
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  -5.241 -12.482  -6.844
    2   2H    MET   1          2H        MET   1  -3.815 -12.682  -6.045
    3   3H    MET   1          3H        MET   1  -5.036 -13.715  -5.741
    4    HA   MET   1           HA       MET   1  -3.355 -14.718  -7.107
    5   1HB   MET   1          1HB       MET   1  -5.928 -14.218  -8.679
    6   2HB   MET   1          2HB       MET   1  -4.779 -15.535  -8.938
    7   1HG   MET   1          1HG       MET   1  -5.239 -16.405  -6.683
    8   2HG   MET   1          2HG       MET   1  -6.424 -15.123  -6.411
    9   1HE   MET   1          1HE       MET   1  -9.390 -16.090  -8.742
   10   2HE   MET   1          2HE       MET   1  -8.846 -15.049  -7.412
   11   3HE   MET   1          3HE       MET   1  -8.151 -14.858  -9.045
   12    H    ALA   2           H        ALA   2  -4.110 -14.036 -10.191
   13    HA   ALA   2           HA       ALA   2  -1.841 -12.409 -10.719
   14   1HB   ALA   2          1HB       ALA   2  -2.849 -14.018 -12.308
   15   2HB   ALA   2          2HB       ALA   2  -4.309 -12.998 -12.425
   16   3HB   ALA   2          3HB       ALA   2  -2.745 -12.396 -13.007
   17    H    GLN   3           H        GLN   3  -4.946 -11.326  -9.557
   18    HA   GLN   3           HA       GLN   3  -4.562  -8.618 -10.617
   19   1HB   GLN   3          1HB       GLN   3  -6.623  -8.079  -9.854
   20   2HB   GLN   3          2HB       GLN   3  -6.810  -9.721 -10.406
   21   1HG   GLN   3          1HG       GLN   3  -6.834  -8.707  -7.542
   22   2HG   GLN   3          2HG       GLN   3  -8.170  -9.295  -8.480
   23   1HE2  GLN   3          1HE2      GLN   3  -8.202 -10.359  -6.184
   24   2HE2  GLN   3          2HE2      GLN   3  -7.594 -11.996  -6.173
   25    H    THR   4           H        THR   4  -2.365  -8.735  -9.794
   26    HA   THR   4           HA       THR   4  -2.139  -7.473  -7.106
   27    HB   THR   4           HB       THR   4  -0.974  -9.662  -7.058
   28    HG1  THR   4           HG1      THR   4   1.007  -7.703  -7.256
   29   1HG2  THR   4          1HG2      THR   4   1.034 -10.035  -8.443
   30   2HG2  THR   4          2HG2      THR   4  -0.419  -9.945  -9.452
   31   3HG2  THR   4          3HG2      THR   4   0.695  -8.563  -9.382
   32    H    ILE   5           H        ILE   5  -0.665  -5.849  -6.903
   33    HA   ILE   5           HA       ILE   5   0.053  -4.334  -9.378
   34    HB   ILE   5           HB       ILE   5  -0.933  -3.235  -6.702
   35   1HG1  ILE   5          1HG1      ILE   5  -2.847  -4.111  -7.939
   36   2HG1  ILE   5          2HG1      ILE   5  -2.895  -2.365  -7.817
   37   1HG2  ILE   5          1HG2      ILE   5   0.694  -1.707  -7.589
   38   2HG2  ILE   5          2HG2      ILE   5  -0.021  -1.776  -9.213
   39   3HG2  ILE   5          3HG2      ILE   5  -0.899  -1.009  -7.872
   40   1HD1  ILE   5          1HD1      ILE   5  -2.054  -3.916 -10.308
   41   2HD1  ILE   5          2HD1      ILE   5  -3.620  -3.139 -10.031
   42   3HD1  ILE   5          3HD1      ILE   5  -2.163  -2.144 -10.172
   43    H    ASN   6           H        ASN   6   2.127  -3.621  -9.385
   44    HA   ASN   6           HA       ASN   6   3.643  -3.494  -6.830
   45   1HB   ASN   6          1HB       ASN   6   5.720  -3.932  -8.225
   46   2HB   ASN   6          2HB       ASN   6   4.688  -5.301  -7.844
   47   1HD2  ASN   6          1HD2      ASN   6   4.945  -2.864 -10.562
   48   2HD2  ASN   6          2HD2      ASN   6   4.778  -4.132 -11.787
   49    H    LEU   7           H        LEU   7   4.162  -1.488  -6.325
   50    HA   LEU   7           HA       LEU   7   4.763   0.489  -8.425
   51   1HB   LEU   7          1HB       LEU   7   3.077   1.961  -8.010
   52   2HB   LEU   7          2HB       LEU   7   2.265   0.427  -8.008
   53    HG   LEU   7           HG       LEU   7   2.841   2.264  -5.652
   54   1HD1  LEU   7          1HD1      LEU   7   0.887   2.722  -7.093
   55   2HD1  LEU   7          2HD1      LEU   7   0.286   1.074  -6.822
   56   3HD1  LEU   7          3HD1      LEU   7   0.388   2.208  -5.465
   57   1HD2  LEU   7          1HD2      LEU   7   1.735  -0.591  -5.521
   58   2HD2  LEU   7          2HD2      LEU   7   3.232  -0.001  -4.767
   59   3HD2  LEU   7          3HD2      LEU   7   1.674   0.595  -4.197
   60    H    GLN   8           H        GLN   8   5.464   2.608  -7.345
   61    HA   GLN   8           HA       GLN   8   7.252   2.056  -5.026
   62   1HB   GLN   8          1HB       GLN   8   7.387   3.917  -7.351
   63   2HB   GLN   8          2HB       GLN   8   8.147   4.387  -5.817
   64   1HG   GLN   8          1HG       GLN   8   9.567   2.460  -5.819
   65   2HG   GLN   8          2HG       GLN   8   8.670   1.687  -7.105
   66   1HE2  GLN   8          1HE2      GLN   8  10.514   4.849  -6.524
   67   2HE2  GLN   8          2HE2      GLN   8  11.270   4.738  -8.109
   68    H    LEU   9           H        LEU   9   7.426   4.057  -3.525
   69    HA   LEU   9           HA       LEU   9   4.682   5.153  -3.114
   70   1HB   LEU   9          1HB       LEU   9   5.254   2.964  -1.878
   71   2HB   LEU   9          2HB       LEU   9   6.426   3.901  -0.969
   72    HG   LEU   9           HG       LEU   9   4.226   5.521  -0.681
   73   1HD1  LEU   9          1HD1      LEU   9   2.774   4.025  -2.009
   74   2HD1  LEU   9          2HD1      LEU   9   3.072   2.710  -0.850
   75   3HD1  LEU   9          3HD1      LEU   9   2.232   4.185  -0.329
   76   1HD2  LEU   9          1HD2      LEU   9   3.917   4.455   1.519
   77   2HD2  LEU   9          2HD2      LEU   9   4.829   3.028   0.982
   78   3HD2  LEU   9          3HD2      LEU   9   5.637   4.607   1.141
   79    H    GLU  10           H        GLU  10   4.873   7.328  -3.116
   80    HA   GLU  10           HA       GLU  10   7.396   8.715  -2.442
   81   1HB   GLU  10          1HB       GLU  10   4.771  10.081  -3.126
   82   2HB   GLU  10          2HB       GLU  10   6.399  10.740  -3.156
   83   1HG   GLU  10          1HG       GLU  10   6.809   8.910  -5.001
   84   2HG   GLU  10          2HG       GLU  10   5.023   8.891  -5.056
   85    H    GLY  11           H        GLY  11   7.218  10.720  -1.075
   86   1HA   GLY  11          1HA       GLY  11   6.631  11.895   0.850
   87   2HA   GLY  11          2HA       GLY  11   5.142  10.920   0.957
   88    H    MET  12           H        MET  12   6.890   8.431   0.877
   89    HA   MET  12           HA       MET  12   7.114   7.707   3.464
   90   1HB   MET  12          1HB       MET  12   8.230   5.817   2.753
   91   2HB   MET  12          2HB       MET  12   7.367   6.360   1.331
   92   1HG   MET  12          1HG       MET  12   9.401   5.828   0.433
   93   2HG   MET  12          2HG       MET  12   9.632   7.546   0.706
   94   1HE   MET  12          1HE       MET  12  12.203   7.095   0.368
   95   2HE   MET  12          2HE       MET  12  13.161   5.935   1.312
   96   3HE   MET  12          3HE       MET  12  11.916   5.356   0.177
   97    H    ARG  13           H        ARG  13   8.544   7.631   5.145
   98    HA   ARG  13           HA       ARG  13  11.105   9.056   5.034
   99   1HB   ARG  13          1HB       ARG  13   8.808  10.180   6.694
  100   2HB   ARG  13          2HB       ARG  13  10.521  10.560   6.980
  101   1HG   ARG  13          1HG       ARG  13  10.717  11.233   4.574
  102   2HG   ARG  13          2HG       ARG  13   8.938  11.068   4.474
  103   1HD   ARG  13          1HD       ARG  13   8.593  12.869   5.972
  104   2HD   ARG  13          2HD       ARG  13  10.330  13.021   6.258
  105    HE   ARG  13           HE       ARG  13   9.700  14.685   4.678
  106   1HH1  ARG  13          1HH1      ARG  13   9.674  11.515   2.892
  107   2HH1  ARG  13          2HH1      ARG  13   9.894  12.359   1.407
  108   1HH2  ARG  13          1HH2      ARG  13   9.875  15.555   2.721
  109   2HH2  ARG  13          2HH2      ARG  13  10.028  14.553   1.314
  110    H    CYS  14           H        CYS  14   8.885   7.795   7.678
  111    HA   CYS  14           HA       CYS  14  10.828   5.941   8.631
  112   1HB   CYS  14          1HB       CYS  14  11.935   8.320   9.069
  113   2HB   CYS  14          2HB       CYS  14  10.800   8.404  10.415
  114    HG   CYS  14           HG       CYS  14  13.171   6.200   9.651
  115    H    ALA  15           H        ALA  15  10.423   6.128  11.365
  116    HA   ALA  15           HA       ALA  15   9.137   5.847  13.171
  117   1HB   ALA  15          1HB       ALA  15   6.934   7.220  11.557
  118   2HB   ALA  15          2HB       ALA  15   6.990   6.998  13.313
  119   3HB   ALA  15          3HB       ALA  15   8.196   8.018  12.517
  120    H    ALA  16           H        ALA  16   6.635   5.163  10.718
  121    HA   ALA  16           HA       ALA  16   6.330   2.364  11.386
  122   1HB   ALA  16          1HB       ALA  16   4.269   2.531  12.771
  123   2HB   ALA  16          2HB       ALA  16   5.663   3.224  13.600
  124   3HB   ALA  16          3HB       ALA  16   4.461   4.296  12.849
  125    H    CYS  17           H        CYS  17   4.855   5.322  10.167
  126    HA   CYS  17           HA       CYS  17   2.610   4.871   8.929
  127   1HB   CYS  17          1HB       CYS  17   5.138   6.182   7.878
  128   2HB   CYS  17          2HB       CYS  17   3.557   6.426   7.124
  129    HG   CYS  17           HG       CYS  17   2.922   8.208   8.465
  130    H    ALA  18           H        ALA  18   5.626   3.559   7.409
  131    HA   ALA  18           HA       ALA  18   4.336   2.814   4.967
  132   1HB   ALA  18          1HB       ALA  18   6.395   1.486   4.590
  133   2HB   ALA  18          2HB       ALA  18   6.732   3.134   5.127
  134   3HB   ALA  18          3HB       ALA  18   6.899   1.779   6.266
  135    H    SER  19           H        SER  19   5.427   0.542   7.586
  136    HA   SER  19           HA       SER  19   3.763  -1.558   6.492
  137   1HB   SER  19          1HB       SER  19   5.812  -1.884   7.937
  138   2HB   SER  19          2HB       SER  19   4.798  -1.461   9.335
  139    HG   SER  19           HG       SER  19   4.273  -3.534   7.410
  140    H    SER  20           H        SER  20   2.998   1.140   8.581
  141    HA   SER  20           HA       SER  20   0.440   0.173   9.488
  142   1HB   SER  20          1HB       SER  20   1.798   2.795   9.255
  143   2HB   SER  20          2HB       SER  20   0.046   2.854   9.151
  144    HG   SER  20           HG       SER  20   1.665   1.798  11.218
  145    H    ILE  21           H        ILE  21   1.440   1.204   6.255
  146    HA   ILE  21           HA       ILE  21  -1.238   1.431   5.066
  147    HB   ILE  21           HB       ILE  21   1.439   0.633   3.833
  148   1HG1  ILE  21          1HG1      ILE  21  -0.015   3.309   3.823
  149   2HG1  ILE  21          2HG1      ILE  21   1.376   2.910   4.825
  150   1HG2  ILE  21          1HG2      ILE  21  -1.104   1.383   2.384
  151   2HG2  ILE  21          2HG2      ILE  21   0.481   1.049   1.662
  152   3HG2  ILE  21          3HG2      ILE  21  -0.381  -0.229   2.482
  153   1HD1  ILE  21          1HD1      ILE  21   2.159   4.189   3.008
  154   2HD1  ILE  21          2HD1      ILE  21   2.758   2.530   2.809
  155   3HD1  ILE  21          3HD1      ILE  21   1.406   3.127   1.814
  156    H    GLU  22           H        GLU  22   1.168  -1.207   5.112
  157    HA   GLU  22           HA       GLU  22  -0.404  -3.257   4.040
  158   1HB   GLU  22          1HB       GLU  22   1.663  -3.530   6.249
  159   2HB   GLU  22          2HB       GLU  22   1.141  -4.803   5.153
  160   1HG   GLU  22          1HG       GLU  22   2.136  -3.663   3.240
  161   2HG   GLU  22          2HG       GLU  22   2.560  -2.258   4.229
  162    H    ARG  23           H        ARG  23  -0.126  -2.228   7.443
  163    HA   ARG  23           HA       ARG  23  -1.825  -4.155   8.595
  164   1HB   ARG  23          1HB       ARG  23  -0.168  -2.355   9.616
  165   2HB   ARG  23          2HB       ARG  23  -1.577  -1.302   9.614
  166   1HG   ARG  23          1HG       ARG  23  -1.422  -2.281  11.779
  167   2HG   ARG  23          2HG       ARG  23  -2.779  -3.100  10.982
  168   1HD   ARG  23          1HD       ARG  23  -1.351  -5.033  10.468
  169   2HD   ARG  23          2HD       ARG  23   0.091  -4.169  11.031
  170    HE   ARG  23           HE       ARG  23  -1.626  -4.199  13.213
  171   1HH1  ARG  23          1HH1      ARG  23   0.073  -6.588  11.271
  172   2HH1  ARG  23          2HH1      ARG  23   0.115  -7.771  12.546
  173   1HH2  ARG  23          1HH2      ARG  23  -1.489  -5.745  14.880
  174   2HH2  ARG  23          2HH2      ARG  23  -0.745  -7.284  14.578
  175    H    ALA  24           H        ALA  24  -2.682  -1.153   6.913
  176    HA   ALA  24           HA       ALA  24  -5.509  -1.275   7.766
  177   1HB   ALA  24          1HB       ALA  24  -4.442   0.932   7.397
  178   2HB   ALA  24          2HB       ALA  24  -4.061   0.487   5.717
  179   3HB   ALA  24          3HB       ALA  24  -5.751   0.665   6.227
  180    H    ILE  25           H        ILE  25  -3.511  -2.000   4.888
  181    HA   ILE  25           HA       ILE  25  -5.697  -2.859   3.197
  182    HB   ILE  25           HB       ILE  25  -2.722  -3.519   3.099
  183   1HG1  ILE  25          1HG1      ILE  25  -4.411  -1.548   1.476
  184   2HG1  ILE  25          2HG1      ILE  25  -3.325  -1.096   2.786
  185   1HG2  ILE  25          1HG2      ILE  25  -5.064  -4.147   1.257
  186   2HG2  ILE  25          2HG2      ILE  25  -3.394  -4.152   0.693
  187   3HG2  ILE  25          3HG2      ILE  25  -3.873  -5.269   1.945
  188   1HD1  ILE  25          1HD1      ILE  25  -2.183  -0.664   0.736
  189   2HD1  ILE  25          2HD1      ILE  25  -1.401  -2.069   1.499
  190   3HD1  ILE  25          3HD1      ILE  25  -2.491  -2.284   0.115
  191    H    ALA  26           H        ALA  26  -3.736  -4.547   5.600
  192    HA   ALA  26           HA       ALA  26  -4.683  -7.169   5.197
  193   1HB   ALA  26          1HB       ALA  26  -4.091  -7.528   7.562
  194   2HB   ALA  26          2HB       ALA  26  -2.870  -6.557   6.730
  195   3HB   ALA  26          3HB       ALA  26  -4.027  -5.764   7.822
  196    H    LYS  27           H        LYS  27  -6.704  -4.522   5.978
  197    HA   LYS  27           HA       LYS  27  -8.895  -6.218   7.086
  198   1HB   LYS  27          1HB       LYS  27  -8.850  -3.263   6.490
  199   2HB   LYS  27          2HB       LYS  27 -10.100  -4.159   7.333
  200   1HG   LYS  27          1HG       LYS  27  -7.276  -3.591   8.340
  201   2HG   LYS  27          2HG       LYS  27  -8.803  -2.913   8.868
  202   1HD   LYS  27          1HD       LYS  27  -8.530  -4.359  10.546
  203   2HD   LYS  27          2HD       LYS  27  -9.438  -5.410   9.474
  204   1HE   LYS  27          1HE       LYS  27  -6.499  -5.513   9.015
  205   2HE   LYS  27          2HE       LYS  27  -6.915  -5.832  10.696
  206   1HZ   LYS  27          1HZ       LYS  27  -7.776  -7.363   8.325
  207   2HZ   LYS  27          2HZ       LYS  27  -6.935  -7.904   9.586
  208   3HZ   LYS  27          3HZ       LYS  27  -8.533  -7.546   9.787
  209    H    VAL  28           H        VAL  28  -7.751  -5.225   3.968
  210    HA   VAL  28           HA       VAL  28 -10.375  -4.859   2.751
  211    HB   VAL  28           HB       VAL  28  -7.624  -5.229   1.461
  212   1HG1  VAL  28          1HG1      VAL  28  -9.392  -5.728  -0.179
  213   2HG1  VAL  28          2HG1      VAL  28 -10.279  -4.256   0.291
  214   3HG1  VAL  28          3HG1      VAL  28  -8.714  -4.124  -0.509
  215   1HG2  VAL  28          1HG2      VAL  28  -7.676  -2.767   1.206
  216   2HG2  VAL  28          2HG2      VAL  28  -9.262  -2.697   2.001
  217   3HG2  VAL  28          3HG2      VAL  28  -7.827  -3.176   2.916
  218    HA   PRO  29           HA       PRO  29 -11.136  -9.127   2.705
  219   1HB   PRO  29          1HB       PRO  29 -13.175  -9.405   0.828
  220   2HB   PRO  29          2HB       PRO  29 -13.379  -8.763   2.486
  221   1HG   PRO  29          1HG       PRO  29 -12.956  -7.203  -0.079
  222   2HG   PRO  29          2HG       PRO  29 -14.183  -6.920   1.201
  223   1HD   PRO  29          1HD       PRO  29 -11.909  -5.482   1.144
  224   2HD   PRO  29          2HD       PRO  29 -12.533  -6.080   2.708
  225    H    GLY  30           H        GLY  30 -10.276  -7.620  -0.378
  226   1HA   GLY  30          1HA       GLY  30  -9.589 -10.175  -1.658
  227   2HA   GLY  30          2HA       GLY  30  -9.328  -8.536  -2.299
  228    H    VAL  31           H        VAL  31  -7.999  -8.664   0.805
  229    HA   VAL  31           HA       VAL  31  -5.266  -8.369  -0.159
  230    HB   VAL  31           HB       VAL  31  -6.147  -7.358   1.911
  231   1HG1  VAL  31          1HG1      VAL  31  -7.203  -9.498   2.918
  232   2HG1  VAL  31          2HG1      VAL  31  -5.556  -9.966   3.361
  233   3HG1  VAL  31          3HG1      VAL  31  -6.252  -8.469   4.003
  234   1HG2  VAL  31          1HG2      VAL  31  -3.624  -9.036   2.225
  235   2HG2  VAL  31          2HG2      VAL  31  -3.755  -7.530   1.298
  236   3HG2  VAL  31          3HG2      VAL  31  -4.006  -7.515   3.056
  237    H    GLN  32           H        GLN  32  -3.957  -9.870  -0.797
  238    HA   GLN  32           HA       GLN  32  -4.030 -12.573   0.517
  239   1HB   GLN  32          1HB       GLN  32  -3.879 -13.681  -1.601
  240   2HB   GLN  32          2HB       GLN  32  -5.272 -12.612  -1.599
  241   1HG   GLN  32          1HG       GLN  32  -4.543 -11.845  -3.583
  242   2HG   GLN  32          2HG       GLN  32  -3.312 -10.968  -2.703
  243   1HE2  GLN  32          1HE2      GLN  32  -1.147 -12.137  -2.365
  244   2HE2  GLN  32          2HE2      GLN  32  -0.673 -13.235  -3.632
  245    H    SER  33           H        SER  33  -1.975  -9.917  -0.400
  246    HA   SER  33           HA       SER  33   0.137 -11.082   1.120
  247   1HB   SER  33          1HB       SER  33   0.670 -10.869  -1.881
  248   2HB   SER  33          2HB       SER  33   1.911 -11.067  -0.646
  249    HG   SER  33           HG       SER  33  -0.098 -12.975  -0.576
  250    H    CYS  34           H        CYS  34   1.465  -9.333   1.816
  251    HA   CYS  34           HA       CYS  34   1.223  -6.670   0.509
  252   1HB   CYS  34          1HB       CYS  34   0.817  -7.291   3.499
  253   2HB   CYS  34          2HB       CYS  34   0.928  -5.678   2.802
  254    HG   CYS  34           HG       CYS  34  -1.544  -6.232   3.552
  255    H    GLN  35           H        GLN  35   3.302  -5.982   0.196
  256    HA   GLN  35           HA       GLN  35   5.288  -6.303   2.340
  257   1HB   GLN  35          1HB       GLN  35   5.885  -7.312  -0.477
  258   2HB   GLN  35          2HB       GLN  35   6.978  -7.248   0.882
  259   1HG   GLN  35          1HG       GLN  35   6.403  -9.508   0.642
  260   2HG   GLN  35          2HG       GLN  35   5.551  -8.957   2.080
  261   1HE2  GLN  35          1HE2      GLN  35   4.359  -8.313  -1.274
  262   2HE2  GLN  35          2HE2      GLN  35   2.992  -9.397  -1.107
  263    H    VAL  36           H        VAL  36   5.870  -4.242   2.595
  264    HA   VAL  36           HA       VAL  36   6.627  -2.542   0.296
  265    HB   VAL  36           HB       VAL  36   4.950  -1.710   1.964
  266   1HG1  VAL  36          1HG1      VAL  36   6.161  -2.566   4.057
  267   2HG1  VAL  36          2HG1      VAL  36   7.291  -1.220   3.852
  268   3HG1  VAL  36          3HG1      VAL  36   5.570  -0.898   4.120
  269   1HG2  VAL  36          1HG2      VAL  36   6.197  -0.159   0.499
  270   2HG2  VAL  36          2HG2      VAL  36   5.827   0.567   2.067
  271   3HG2  VAL  36          3HG2      VAL  36   7.469  -0.008   1.725
  272    H    ASN  37           H        ASN  37   8.619  -1.770  -0.015
  273    HA   ASN  37           HA       ASN  37  10.865  -2.901   1.602
  274   1HB   ASN  37          1HB       ASN  37  10.607  -3.625  -0.714
  275   2HB   ASN  37          2HB       ASN  37  10.705  -1.953  -1.282
  276   1HD2  ASN  37          1HD2      ASN  37  12.403  -4.453  -1.687
  277   2HD2  ASN  37          2HD2      ASN  37  14.051  -3.935  -1.289
  278    H    PHE  38           H        PHE  38  11.212  -1.366   3.144
  279    HA   PHE  38           HA       PHE  38  11.149   1.448   2.556
  280   1HB   PHE  38          1HB       PHE  38  10.489   0.063   4.719
  281   2HB   PHE  38          2HB       PHE  38  12.164   0.363   5.176
  282    HD1  PHE  38           HD1      PHE  38   9.063   2.010   3.878
  283    HD2  PHE  38           HD2      PHE  38  12.727   2.544   6.091
  284    HE1  PHE  38           HE1      PHE  38   8.411   4.344   4.400
  285    HE2  PHE  38           HE2      PHE  38  12.054   4.872   6.630
  286    HZ   PHE  38           HZ       PHE  38   9.883   5.756   5.780
  287    H    ALA  39           H        ALA  39  13.001   0.490   0.888
  288    HA   ALA  39           HA       ALA  39  15.326   2.157   1.540
  289   1HB   ALA  39          1HB       ALA  39  16.961   0.359   1.047
  290   2HB   ALA  39          2HB       ALA  39  15.992  -0.033   2.480
  291   3HB   ALA  39          3HB       ALA  39  15.642  -0.825   0.927
  292    H    LEU  40           H        LEU  40  13.590   0.070  -0.847
  293    HA   LEU  40           HA       LEU  40  14.561   1.782  -3.038
  294   1HB   LEU  40          1HB       LEU  40  15.677  -0.292  -3.057
  295   2HB   LEU  40          2HB       LEU  40  14.278  -1.179  -2.475
  296    HG   LEU  40           HG       LEU  40  13.193  -0.998  -4.529
  297   1HD1  LEU  40          1HD1      LEU  40  15.762   0.248  -5.651
  298   2HD1  LEU  40          2HD1      LEU  40  14.361  -0.248  -6.625
  299   3HD1  LEU  40          3HD1      LEU  40  14.218   1.103  -5.491
  300   1HD2  LEU  40          1HD2      LEU  40  15.989  -2.147  -4.785
  301   2HD2  LEU  40          2HD2      LEU  40  14.578  -2.946  -4.057
  302   3HD2  LEU  40          3HD2      LEU  40  14.597  -2.599  -5.794
  303    H    GLU  41           H        GLU  41  12.189   2.121  -1.260
  304    HA   GLU  41           HA       GLU  41  10.130   2.992  -1.394
  305   1HB   GLU  41          1HB       GLU  41  10.977   3.325  -4.296
  306   2HB   GLU  41          2HB       GLU  41   9.461   3.949  -3.661
  307   1HG   GLU  41          1HG       GLU  41  10.770   5.259  -1.966
  308   2HG   GLU  41          2HG       GLU  41  12.238   4.815  -2.853
  309    H    GLN  42           H        GLN  42  10.415   0.008  -3.183
  310    HA   GLN  42           HA       GLN  42   7.825   0.216  -4.335
  311   1HB   GLN  42          1HB       GLN  42   7.801  -1.900  -5.065
  312   2HB   GLN  42          2HB       GLN  42   9.445  -1.433  -5.212
  313   1HG   GLN  42          1HG       GLN  42   8.547  -3.062  -2.708
  314   2HG   GLN  42          2HG       GLN  42   8.478  -3.830  -4.260
  315   1HE2  GLN  42          1HE2      GLN  42  11.219  -1.807  -4.500
  316   2HE2  GLN  42          2HE2      GLN  42  12.354  -3.026  -3.918
  317    H    ALA  43           H        ALA  43   5.868  -0.583  -3.884
  318    HA   ALA  43           HA       ALA  43   5.577  -2.412  -1.563
  319   1HB   ALA  43          1HB       ALA  43   3.263  -1.647  -1.193
  320   2HB   ALA  43          2HB       ALA  43   4.399  -0.308  -0.954
  321   3HB   ALA  43          3HB       ALA  43   3.458  -0.404  -2.451
  322    H    VAL  44           H        VAL  44   4.712  -4.320  -2.068
  323    HA   VAL  44           HA       VAL  44   3.302  -4.568  -4.689
  324    HB   VAL  44           HB       VAL  44   5.393  -5.633  -5.057
  325   1HG1  VAL  44          1HG1      VAL  44   6.231  -7.567  -3.862
  326   2HG1  VAL  44          2HG1      VAL  44   6.084  -6.200  -2.751
  327   3HG1  VAL  44          3HG1      VAL  44   4.878  -7.507  -2.727
  328   1HG2  VAL  44          1HG2      VAL  44   3.373  -6.643  -6.067
  329   2HG2  VAL  44          2HG2      VAL  44   4.662  -7.824  -5.793
  330   3HG2  VAL  44          3HG2      VAL  44   3.263  -7.778  -4.704
  331    H    VAL  45           H        VAL  45   1.338  -5.289  -4.605
  332    HA   VAL  45           HA       VAL  45   0.441  -6.981  -2.389
  333    HB   VAL  45           HB       VAL  45  -1.099  -4.424  -2.827
  334   1HG1  VAL  45          1HG1      VAL  45  -2.199  -6.376  -1.618
  335   2HG1  VAL  45          2HG1      VAL  45  -0.989  -6.146  -0.341
  336   3HG1  VAL  45          3HG1      VAL  45  -2.118  -4.857  -0.735
  337   1HG2  VAL  45          1HG2      VAL  45   1.036  -3.577  -2.032
  338   2HG2  VAL  45          2HG2      VAL  45  -0.203  -3.407  -0.793
  339   3HG2  VAL  45          3HG2      VAL  45   0.996  -4.703  -0.653
  340    H    SER  46           H        SER  46  -1.264  -8.197  -2.876
  341    HA   SER  46           HA       SER  46  -3.117  -7.272  -5.021
  342   1HB   SER  46          1HB       SER  46  -2.493  -9.153  -6.029
  343   2HB   SER  46          2HB       SER  46  -2.195 -10.109  -4.664
  344    HG   SER  46           HG       SER  46  -4.510  -9.335  -6.061
  345    H    TYR  47           H        TYR  47  -4.864  -6.479  -4.199
  346    HA   TYR  47           HA       TYR  47  -6.038  -7.488  -1.750
  347   1HB   TYR  47          1HB       TYR  47  -6.032  -5.423  -0.588
  348   2HB   TYR  47          2HB       TYR  47  -4.428  -6.015  -0.876
  349    HD1  TYR  47           HD1      TYR  47  -6.164  -3.121  -0.537
  350    HD2  TYR  47           HD2      TYR  47  -3.376  -4.921  -3.275
  351    HE1  TYR  47           HE1      TYR  47  -5.136  -0.903  -0.945
  352    HE2  TYR  47           HE2      TYR  47  -2.427  -2.679  -3.781
  353    HH   TYR  47           HH       TYR  47  -3.573   0.299  -2.184
  354    H    HIS  48           H        HIS  48  -7.114  -7.855  -4.145
  355    HA   HIS  48           HA       HIS  48  -9.353  -5.862  -4.367
  356   1HB   HIS  48          1HB       HIS  48  -7.848  -6.985  -6.745
  357   2HB   HIS  48          2HB       HIS  48  -9.034  -5.691  -6.722
  358    HD2  HIS  48           HD2      HIS  48  -5.330  -6.423  -6.095
  359    HE1  HIS  48           HE1      HIS  48  -5.859  -2.237  -5.482
  360    HE2  HIS  48           HE2      HIS  48  -4.142  -4.091  -5.674
  361    H    GLY  49           H        GLY  49 -11.306  -6.705  -4.526
  362   1HA   GLY  49          1HA       GLY  49 -11.874  -9.187  -6.042
  363   2HA   GLY  49          2HA       GLY  49 -12.273  -9.206  -4.326
  364    H    GLU  50           H        GLU  50 -12.786  -7.233  -7.244
  365    HA   GLU  50           HA       GLU  50 -14.545  -6.250  -8.198
  366   1HB   GLU  50          1HB       GLU  50 -15.654  -8.408  -7.498
  367   2HB   GLU  50          2HB       GLU  50 -16.390  -7.532  -6.149
  368   1HG   GLU  50          1HG       GLU  50 -17.666  -6.147  -7.618
  369   2HG   GLU  50          2HG       GLU  50 -16.677  -6.585  -9.022
  370    H    THR  51           H        THR  51 -14.696  -5.997  -4.681
  371    HA   THR  51           HA       THR  51 -15.882  -3.627  -4.043
  372    HB   THR  51           HB       THR  51 -14.015  -3.386  -2.336
  373    HG1  THR  51           HG1      THR  51 -12.557  -4.287  -3.942
  374   1HG2  THR  51          1HG2      THR  51 -15.056  -6.244  -2.614
  375   2HG2  THR  51          2HG2      THR  51 -14.448  -5.458  -1.144
  376   3HG2  THR  51          3HG2      THR  51 -15.955  -4.893  -1.889
  377    H    THR  52           H        THR  52 -15.774  -1.627  -4.765
  378    HA   THR  52           HA       THR  52 -14.642  -0.452  -6.746
  379    HB   THR  52           HB       THR  52 -14.975   0.981  -4.094
  380    HG1  THR  52           HG1      THR  52 -17.085   1.223  -4.918
  381   1HG2  THR  52          1HG2      THR  52 -13.952   2.462  -5.787
  382   2HG2  THR  52          2HG2      THR  52 -15.165   1.959  -6.990
  383   3HG2  THR  52          3HG2      THR  52 -15.649   2.894  -5.557
  384    HA   PRO  53           HA       PRO  53 -10.327  -0.945  -5.534
  385   1HB   PRO  53          1HB       PRO  53  -9.109  -0.973  -7.997
  386   2HB   PRO  53          2HB       PRO  53 -10.069  -2.329  -7.339
  387   1HG   PRO  53          1HG       PRO  53 -11.002  -0.135  -9.217
  388   2HG   PRO  53          2HG       PRO  53 -11.206  -1.909  -9.403
  389   1HD   PRO  53          1HD       PRO  53 -13.180  -0.369  -8.374
  390   2HD   PRO  53          2HD       PRO  53 -12.849  -1.991  -7.697
  391    H    GLN  54           H        GLN  54 -11.693   1.939  -6.368
  392    HA   GLN  54           HA       GLN  54  -9.303   3.599  -6.655
  393   1HB   GLN  54          1HB       GLN  54 -12.057   4.276  -5.507
  394   2HB   GLN  54          2HB       GLN  54 -10.799   5.426  -5.980
  395   1HG   GLN  54          1HG       GLN  54 -10.950   4.543  -8.342
  396   2HG   GLN  54          2HG       GLN  54 -12.322   3.547  -7.850
  397   1HE2  GLN  54          1HE2      GLN  54 -14.014   5.232  -6.412
  398   2HE2  GLN  54          2HE2      GLN  54 -14.408   6.579  -7.483
  399    H    ILE  55           H        ILE  55 -11.056   2.039  -4.030
  400    HA   ILE  55           HA       ILE  55  -9.934   3.372  -1.777
  401    HB   ILE  55           HB       ILE  55 -11.165   0.613  -2.121
  402   1HG1  ILE  55          1HG1      ILE  55 -12.409   3.209  -1.085
  403   2HG1  ILE  55          2HG1      ILE  55 -12.595   2.641  -2.738
  404   1HG2  ILE  55          1HG2      ILE  55 -11.638   0.711   0.343
  405   2HG2  ILE  55          2HG2      ILE  55  -9.933   0.599  -0.014
  406   3HG2  ILE  55          3HG2      ILE  55 -10.630   2.172   0.445
  407   1HD1  ILE  55          1HD1      ILE  55 -14.571   2.039  -1.591
  408   2HD1  ILE  55          2HD1      ILE  55 -13.666   0.540  -1.881
  409   3HD1  ILE  55          3HD1      ILE  55 -13.688   1.283  -0.260
  410    H    LEU  56           H        LEU  56  -8.365   1.329  -3.990
  411    HA   LEU  56           HA       LEU  56  -6.425   0.152  -2.265
  412   1HB   LEU  56          1HB       LEU  56  -5.305  -0.509  -4.167
  413   2HB   LEU  56          2HB       LEU  56  -6.952  -0.381  -4.712
  414    HG   LEU  56           HG       LEU  56  -6.261   1.922  -5.708
  415   1HD1  LEU  56          1HD1      LEU  56  -3.473   0.708  -5.289
  416   2HD1  LEU  56          2HD1      LEU  56  -3.842   2.068  -6.366
  417   3HD1  LEU  56          3HD1      LEU  56  -4.021   2.256  -4.634
  418   1HD2  LEU  56          1HD2      LEU  56  -6.615  -0.225  -7.013
  419   2HD2  LEU  56          2HD2      LEU  56  -5.403   0.844  -7.728
  420   3HD2  LEU  56          3HD2      LEU  56  -4.895  -0.586  -6.806
  421    H    THR  57           H        THR  57  -6.827   3.370  -3.515
  422    HA   THR  57           HA       THR  57  -4.120   4.279  -2.848
  423    HB   THR  57           HB       THR  57  -4.851   6.467  -3.609
  424    HG1  THR  57           HG1      THR  57  -7.424   5.254  -3.912
  425   1HG2  THR  57          1HG2      THR  57  -5.760   4.313  -5.558
  426   2HG2  THR  57          2HG2      THR  57  -5.233   5.961  -5.945
  427   3HG2  THR  57          3HG2      THR  57  -4.070   4.798  -5.279
  428    H    ASP  58           H        ASP  58  -7.408   5.022  -1.570
  429    HA   ASP  58           HA       ASP  58  -6.963   6.646   0.493
  430   1HB   ASP  58          1HB       ASP  58  -8.552   4.049   0.664
  431   2HB   ASP  58          2HB       ASP  58  -8.753   5.449   1.706
  432    H    ALA  59           H        ALA  59  -6.098   3.207   0.530
  433    HA   ALA  59           HA       ALA  59  -5.199   3.250   3.264
  434   1HB   ALA  59          1HB       ALA  59  -6.186   1.245   2.102
  435   2HB   ALA  59          2HB       ALA  59  -4.730   1.151   1.087
  436   3HB   ALA  59          3HB       ALA  59  -4.614   0.895   2.847
  437    H    VAL  60           H        VAL  60  -3.494   4.203   0.449
  438    HA   VAL  60           HA       VAL  60  -0.893   4.034   1.923
  439    HB   VAL  60           HB       VAL  60   0.157   5.172   0.156
  440   1HG1  VAL  60          1HG1      VAL  60  -1.480   2.836  -0.928
  441   2HG1  VAL  60          2HG1      VAL  60   0.078   3.397  -1.561
  442   3HG1  VAL  60          3HG1      VAL  60  -0.017   2.701   0.062
  443   1HG2  VAL  60          1HG2      VAL  60  -0.629   5.783  -1.940
  444   2HG2  VAL  60          2HG2      VAL  60  -2.210   5.063  -1.697
  445   3HG2  VAL  60          3HG2      VAL  60  -1.742   6.546  -0.816
  446    H    GLU  61           H        GLU  61  -3.350   6.339   0.940
  447    HA   GLU  61           HA       GLU  61  -2.101   8.712   1.932
  448   1HB   GLU  61          1HB       GLU  61  -5.056   8.061   1.619
  449   2HB   GLU  61          2HB       GLU  61  -4.412   9.666   1.932
  450   1HG   GLU  61          1HG       GLU  61  -3.816   7.974  -0.539
  451   2HG   GLU  61          2HG       GLU  61  -4.958   9.312  -0.453
  452    H    ARG  62           H        ARG  62  -4.206   6.372   3.563
  453    HA   ARG  62           HA       ARG  62  -4.526   7.182   6.151
  454   1HB   ARG  62          1HB       ARG  62  -5.236   5.063   5.367
  455   2HB   ARG  62          2HB       ARG  62  -3.618   4.576   4.903
  456   1HG   ARG  62          1HG       ARG  62  -4.326   4.982   7.811
  457   2HG   ARG  62          2HG       ARG  62  -4.722   3.497   6.960
  458   1HD   ARG  62          1HD       ARG  62  -2.381   3.033   6.445
  459   2HD   ARG  62          2HD       ARG  62  -1.819   4.504   7.201
  460    HE   ARG  62           HE       ARG  62  -2.423   2.072   8.466
  461   1HH1  ARG  62          1HH1      ARG  62  -2.564   5.570   9.087
  462   2HH1  ARG  62          2HH1      ARG  62  -2.364   5.366  10.799
  463   1HH2  ARG  62          1HH2      ARG  62  -2.135   1.883  10.656
  464   2HH2  ARG  62          2HH2      ARG  62  -2.133   3.282  11.689
  465    H    ALA  63           H        ALA  63  -1.368   6.579   4.718
  466    HA   ALA  63           HA       ALA  63  -0.014   6.593   7.384
  467   1HB   ALA  63          1HB       ALA  63   1.859   5.639   6.052
  468   2HB   ALA  63          2HB       ALA  63   0.379   4.665   5.919
  469   3HB   ALA  63          3HB       ALA  63   0.886   5.744   4.592
  470    H    GLY  64           H        GLY  64  -0.699   8.751   4.826
  471   1HA   GLY  64          1HA       GLY  64   0.006  10.960   4.580
  472   2HA   GLY  64          2HA       GLY  64   1.466  10.635   5.563
  473    H    TYR  65           H        TYR  65   1.103   8.034   3.477
  474    HA   TYR  65           HA       TYR  65   3.161   9.214   1.706
  475   1HB   TYR  65          1HB       TYR  65   2.755   6.335   2.476
  476   2HB   TYR  65          2HB       TYR  65   4.049   6.953   1.470
  477    HD1  TYR  65           HD1      TYR  65   4.213   9.518   3.658
  478    HD2  TYR  65           HD2      TYR  65   4.716   5.230   3.706
  479    HE1  TYR  65           HE1      TYR  65   5.618   9.727   5.644
  480    HE2  TYR  65           HE2      TYR  65   6.244   5.456   5.662
  481    HH   TYR  65           HH       TYR  65   6.678   8.581   7.318
  482    H    HIS  66           H        HIS  66   3.201   8.710  -0.490
  483    HA   HIS  66           HA       HIS  66   0.421   8.469  -1.606
  484   1HB   HIS  66          1HB       HIS  66   2.796  10.241  -2.197
  485   2HB   HIS  66          2HB       HIS  66   1.684   9.867  -3.498
  486    HD1  HIS  66           HD1      HIS  66  -0.152  11.567  -3.742
  487    HD2  HIS  66           HD2      HIS  66   0.854  10.772   0.236
  488    HE1  HIS  66           HE1      HIS  66  -1.882  12.724  -2.288
  489    HE2  HIS  66           HE2      HIS  66  -1.378  12.011   0.019
  490    H    ALA  67           H        ALA  67   0.144   7.422  -3.638
  491    HA   ALA  67           HA       ALA  67   2.031   5.202  -4.065
  492   1HB   ALA  67          1HB       ALA  67  -0.363   4.741  -4.082
  493   2HB   ALA  67          2HB       ALA  67  -0.646   5.987  -5.326
  494   3HB   ALA  67          3HB       ALA  67   0.243   4.520  -5.734
  495    H    ARG  68           H        ARG  68   3.610   5.095  -5.544
  496    HA   ARG  68           HA       ARG  68   3.889   7.228  -7.623
  497   1HB   ARG  68          1HB       ARG  68   5.621   7.100  -5.895
  498   2HB   ARG  68          2HB       ARG  68   5.864   5.440  -6.228
  499   1HG   ARG  68          1HG       ARG  68   7.683   6.651  -7.021
  500   2HG   ARG  68          2HG       ARG  68   6.876   5.849  -8.351
  501   1HD   ARG  68          1HD       ARG  68   6.130   7.877  -9.301
  502   2HD   ARG  68          2HD       ARG  68   6.096   8.688  -7.732
  503    HE   ARG  68           HE       ARG  68   8.728   7.890  -8.772
  504   1HH1  ARG  68          1HH1      ARG  68   6.576  10.636  -7.968
  505   2HH1  ARG  68          2HH1      ARG  68   7.876  11.702  -7.894
  506   1HH2  ARG  68          1HH2      ARG  68  10.340   9.366  -8.518
  507   2HH2  ARG  68          2HH2      ARG  68   9.965  11.054  -8.304
  508    H    VAL  69           H        VAL  69   3.768   6.665  -9.668
  509    HA   VAL  69           HA       VAL  69   3.698   3.941 -10.641
  510    HB   VAL  69           HB       VAL  69   3.956   5.219 -12.864
  511   1HG1  VAL  69          1HG1      VAL  69   1.524   5.769 -11.120
  512   2HG1  VAL  69          2HG1      VAL  69   1.561   5.815 -12.897
  513   3HG1  VAL  69          3HG1      VAL  69   1.828   4.284 -12.047
  514   1HG2  VAL  69          1HG2      VAL  69   3.351   7.566 -12.955
  515   2HG2  VAL  69          2HG2      VAL  69   3.260   7.660 -11.189
  516   3HG2  VAL  69          3HG2      VAL  69   4.820   7.381 -11.992
  517    H    LEU  70           H        LEU  70   5.212   2.689 -11.127
  518    HA   LEU  70           HA       LEU  70   8.006   3.673 -11.392
  519   1HB   LEU  70          1HB       LEU  70   8.703   1.499 -10.766
  520   2HB   LEU  70          2HB       LEU  70   7.614   2.153  -9.580
  521    HG   LEU  70           HG       LEU  70   5.807   0.618 -10.460
  522   1HD1  LEU  70          1HD1      LEU  70   6.561  -0.065 -12.667
  523   2HD1  LEU  70          2HD1      LEU  70   8.140  -0.583 -12.029
  524   3HD1  LEU  70          3HD1      LEU  70   6.656  -1.474 -11.632
  525   1HD2  LEU  70          1HD2      LEU  70   8.385  -0.675  -9.445
  526   2HD2  LEU  70          2HD2      LEU  70   7.203   0.169  -8.433
  527   3HD2  LEU  70          3HD2      LEU  70   6.744  -1.326  -9.259
  528    H    LYS  71           H        LYS  71   9.350   2.796 -13.112
  529    HA   LYS  71           HA       LYS  71   8.193   1.211 -15.217
  530   1HB   LYS  71          1HB       LYS  71   7.041   3.346 -15.746
  531   2HB   LYS  71          2HB       LYS  71   8.580   4.182 -15.758
  532   1HG   LYS  71          1HG       LYS  71   7.778   3.826 -18.016
  533   2HG   LYS  71          2HG       LYS  71   9.284   2.970 -17.766
  534   1HD   LYS  71          1HD       LYS  71   7.820   1.608 -19.092
  535   2HD   LYS  71          2HD       LYS  71   8.000   0.821 -17.525
  536   1HE   LYS  71          1HE       LYS  71   5.802   1.772 -16.807
  537   2HE   LYS  71          2HE       LYS  71   5.650   2.568 -18.379
  538   1HZ   LYS  71          1HZ       LYS  71   5.747   0.330 -19.415
  539   2HZ   LYS  71          2HZ       LYS  71   5.774  -0.365 -17.952
  540   3HZ   LYS  71          3HZ       LYS  71   4.444   0.488 -18.410
  541    H    GLN  72           H        GLN  72   9.706   0.215 -16.375
  542    HA   GLN  72           HA       GLN  72  11.982   1.652 -17.415
  543   1HB   GLN  72          1HB       GLN  72  12.875   0.538 -15.319
  544   2HB   GLN  72          2HB       GLN  72  12.385  -1.024 -15.986
  545   1HG   GLN  72          1HG       GLN  72  13.951  -0.705 -17.886
  546   2HG   GLN  72          2HG       GLN  72  14.384   0.900 -17.268
  547   1HE2  GLN  72          1HE2      GLN  72  15.896   1.016 -15.478
  548   2HE2  GLN  72          2HE2      GLN  72  16.594  -0.464 -14.821
  549    H    GLN  73           H        GLN  73  12.501   0.632 -19.551
  550    HA   GLN  73           HA       GLN  73  11.373  -1.828 -20.423
  551   1HB   GLN  73          1HB       GLN  73   9.545   0.448 -20.484
  552   2HB   GLN  73          2HB       GLN  73   9.976   0.040 -22.131
  553   1HG   GLN  73          1HG       GLN  73   9.257  -2.284 -21.808
  554   2HG   GLN  73          2HG       GLN  73   8.884  -1.963 -20.111
  555   1HE2  GLN  73          1HE2      GLN  73   7.738  -1.507 -23.453
  556   2HE2  GLN  73          2HE2      GLN  73   6.207  -0.805 -22.954
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  -7.190 -16.214  -8.270
    2   2H    MET   1          2H        MET   1  -7.554 -16.922  -9.719
    3   3H    MET   1          3H        MET   1  -8.724 -16.151  -8.829
    4    HA   MET   1           HA       MET   1  -6.395 -14.808 -10.012
    5   1HB   MET   1          1HB       MET   1  -9.303 -14.581 -10.909
    6   2HB   MET   1          2HB       MET   1  -7.885 -13.808 -11.626
    7   1HG   MET   1          1HG       MET   1  -8.656 -16.734 -11.668
    8   2HG   MET   1          2HG       MET   1  -8.456 -15.652 -13.039
    9   1HE   MET   1          1HE       MET   1  -4.664 -15.470 -13.617
   10   2HE   MET   1          2HE       MET   1  -6.282 -15.286 -14.320
   11   3HE   MET   1          3HE       MET   1  -5.778 -14.248 -12.965
   12    H    ALA   2           H        ALA   2  -6.347 -12.521  -9.611
   13    HA   ALA   2           HA       ALA   2  -8.354 -11.097  -8.132
   14   1HB   ALA   2          1HB       ALA   2  -7.412 -12.427  -6.241
   15   2HB   ALA   2          2HB       ALA   2  -5.774 -11.885  -6.680
   16   3HB   ALA   2          3HB       ALA   2  -6.976 -10.722  -6.101
   17    H    GLN   3           H        GLN   3  -7.577  -8.783  -7.865
   18    HA   GLN   3           HA       GLN   3  -5.547  -8.173  -9.980
   19   1HB   GLN   3          1HB       GLN   3  -7.706  -7.120 -10.295
   20   2HB   GLN   3          2HB       GLN   3  -7.672  -6.409  -8.697
   21   1HG   GLN   3          1HG       GLN   3  -7.082  -4.750 -10.403
   22   2HG   GLN   3          2HG       GLN   3  -5.731  -5.015  -9.310
   23   1HE2  GLN   3          1HE2      GLN   3  -3.821  -4.815 -10.600
   24   2HE2  GLN   3          2HE2      GLN   3  -3.718  -5.577 -12.192
   25    H    THR   4           H        THR   4  -3.682  -7.051  -9.544
   26    HA   THR   4           HA       THR   4  -2.978  -6.508  -6.703
   27    HB   THR   4           HB       THR   4  -1.620  -8.375  -7.248
   28    HG1  THR   4           HG1      THR   4   0.145  -6.400  -8.070
   29   1HG2  THR   4          1HG2      THR   4  -1.904  -8.591  -9.647
   30   2HG2  THR   4          2HG2      THR   4  -1.114  -7.026  -9.947
   31   3HG2  THR   4          3HG2      THR   4  -0.177  -8.401  -9.320
   32    H    ILE   5           H        ILE   5  -1.573  -4.935  -6.246
   33    HA   ILE   5           HA       ILE   5  -1.441  -2.609  -8.089
   34    HB   ILE   5           HB       ILE   5  -1.926  -2.498  -5.086
   35   1HG1  ILE   5          1HG1      ILE   5  -3.991  -3.293  -6.132
   36   2HG1  ILE   5          2HG1      ILE   5  -4.156  -1.692  -5.465
   37   1HG2  ILE   5          1HG2      ILE   5  -1.767  -0.306  -7.194
   38   2HG2  ILE   5          2HG2      ILE   5  -2.332  -0.060  -5.525
   39   3HG2  ILE   5          3HG2      ILE   5  -0.676  -0.587  -5.821
   40   1HD1  ILE   5          1HD1      ILE   5  -4.047  -0.698  -7.737
   41   2HD1  ILE   5          2HD1      ILE   5  -3.816  -2.314  -8.432
   42   3HD1  ILE   5          3HD1      ILE   5  -5.332  -1.909  -7.614
   43    H    ASN   6           H        ASN   6   0.627  -2.215  -8.428
   44    HA   ASN   6           HA       ASN   6   2.754  -2.995  -6.535
   45   1HB   ASN   6          1HB       ASN   6   3.753  -4.312  -8.573
   46   2HB   ASN   6          2HB       ASN   6   2.593  -5.051  -7.486
   47   1HD2  ASN   6          1HD2      ASN   6   2.498  -3.137 -10.587
   48   2HD2  ASN   6          2HD2      ASN   6   1.264  -4.194 -11.282
   49    H    LEU   7           H        LEU   7   4.014  -1.323  -6.413
   50    HA   LEU   7           HA       LEU   7   4.966   0.348  -8.574
   51   1HB   LEU   7          1HB       LEU   7   3.578   2.232  -8.253
   52   2HB   LEU   7          2HB       LEU   7   2.517   0.880  -8.517
   53    HG   LEU   7           HG       LEU   7   2.987   2.470  -5.973
   54   1HD1  LEU   7          1HD1      LEU   7   1.323   3.229  -7.646
   55   2HD1  LEU   7          2HD1      LEU   7   0.484   1.668  -7.522
   56   3HD1  LEU   7          3HD1      LEU   7   0.550   2.751  -6.120
   57   1HD2  LEU   7          1HD2      LEU   7   2.979   0.192  -5.117
   58   2HD2  LEU   7          2HD2      LEU   7   1.425   0.946  -4.768
   59   3HD2  LEU   7          3HD2      LEU   7   1.560  -0.218  -6.105
   60    H    GLN   8           H        GLN   8   5.551   2.666  -7.339
   61    HA   GLN   8           HA       GLN   8   6.917   1.981  -4.792
   62   1HB   GLN   8          1HB       GLN   8   7.611   3.875  -7.022
   63   2HB   GLN   8          2HB       GLN   8   8.029   4.304  -5.356
   64   1HG   GLN   8          1HG       GLN   8   9.287   2.250  -5.068
   65   2HG   GLN   8          2HG       GLN   8   8.934   1.738  -6.705
   66   1HE2  GLN   8          1HE2      GLN   8  11.535   2.619  -5.172
   67   2HE2  GLN   8          2HE2      GLN   8  12.191   3.848  -6.230
   68    H    LEU   9           H        LEU   9   6.977   3.500  -3.208
   69    HA   LEU   9           HA       LEU   9   4.451   5.040  -2.932
   70   1HB   LEU   9          1HB       LEU   9   4.824   3.104  -1.453
   71   2HB   LEU   9          2HB       LEU   9   6.348   3.769  -0.886
   72    HG   LEU   9           HG       LEU   9   3.804   5.390  -0.553
   73   1HD1  LEU   9          1HD1      LEU   9   3.492   4.269   1.660
   74   2HD1  LEU   9          2HD1      LEU   9   3.169   3.189   0.289
   75   3HD1  LEU   9          3HD1      LEU   9   4.691   3.047   1.197
   76   1HD2  LEU   9          1HD2      LEU   9   4.947   6.207   1.457
   77   2HD2  LEU   9          2HD2      LEU   9   6.209   4.984   1.283
   78   3HD2  LEU   9          3HD2      LEU   9   6.096   6.315   0.124
   79    H    GLU  10           H        GLU  10   4.614   7.176  -2.227
   80    HA   GLU  10           HA       GLU  10   7.302   8.400  -2.000
   81   1HB   GLU  10          1HB       GLU  10   5.974   9.156  -4.110
   82   2HB   GLU  10          2HB       GLU  10   4.806   9.852  -3.016
   83   1HG   GLU  10          1HG       GLU  10   6.600  11.435  -3.940
   84   2HG   GLU  10          2HG       GLU  10   6.334  11.477  -2.198
   85    H    GLY  11           H        GLY  11   7.430  10.032  -0.372
   86   1HA   GLY  11          1HA       GLY  11   6.685  11.061   1.656
   87   2HA   GLY  11          2HA       GLY  11   5.263   9.990   1.704
   88    H    MET  12           H        MET  12   7.363   7.705   1.041
   89    HA   MET  12           HA       MET  12   7.982   6.693   3.534
   90   1HB   MET  12          1HB       MET  12   8.305   5.852   0.885
   91   2HB   MET  12          2HB       MET  12   9.963   6.060   1.403
   92   1HG   MET  12          1HG       MET  12   9.182   4.817   3.568
   93   2HG   MET  12          2HG       MET  12   7.809   4.296   2.602
   94   1HE   MET  12          1HE       MET  12  11.422   3.955   3.602
   95   2HE   MET  12          2HE       MET  12  12.221   3.060   2.292
   96   3HE   MET  12          3HE       MET  12  11.711   4.738   2.040
   97    H    ARG  13           H        ARG  13   9.049   9.525   3.080
   98    HA   ARG  13           HA       ARG  13  11.890   9.596   3.380
   99   1HB   ARG  13          1HB       ARG  13   9.880  11.709   4.216
  100   2HB   ARG  13          2HB       ARG  13  11.528  11.968   3.671
  101   1HG   ARG  13          1HG       ARG  13   9.235  10.996   1.879
  102   2HG   ARG  13          2HG       ARG  13   9.700  12.661   2.089
  103   1HD   ARG  13          1HD       ARG  13  10.523  11.678  -0.021
  104   2HD   ARG  13          2HD       ARG  13  11.784  12.370   0.991
  105    HE   ARG  13           HE       ARG  13  12.670  10.253   1.427
  106   1HH1  ARG  13          1HH1      ARG  13   9.896   9.788  -0.885
  107   2HH1  ARG  13          2HH1      ARG  13  10.362   8.092  -0.981
  108   1HH2  ARG  13          1HH2      ARG  13  13.142   8.130   0.905
  109   2HH2  ARG  13          2HH2      ARG  13  12.139   7.354  -0.301
  110    H    CYS  14           H        CYS  14   9.613   8.534   5.632
  111    HA   CYS  14           HA       CYS  14  11.484   8.232   7.717
  112   1HB   CYS  14          1HB       CYS  14  10.790  10.799   7.859
  113   2HB   CYS  14          2HB       CYS  14   9.303  10.165   8.570
  114    HG   CYS  14           HG       CYS  14  12.477   9.947   9.491
  115    H    ALA  15           H        ALA  15  10.354   7.510   9.758
  116    HA   ALA  15           HA       ALA  15   8.931   6.456  11.099
  117   1HB   ALA  15          1HB       ALA  15   6.681   7.388  11.070
  118   2HB   ALA  15          2HB       ALA  15   7.856   8.632  10.623
  119   3HB   ALA  15          3HB       ALA  15   6.862   7.858   9.374
  120    H    ALA  16           H        ALA  16   7.294   4.996  11.667
  121    HA   ALA  16           HA       ALA  16   7.213   2.624  10.035
  122   1HB   ALA  16          1HB       ALA  16   7.448   2.612  12.498
  123   2HB   ALA  16          2HB       ALA  16   5.828   3.336  12.665
  124   3HB   ALA  16          3HB       ALA  16   6.016   1.702  11.996
  125    H    CYS  17           H        CYS  17   5.367   5.326   9.594
  126    HA   CYS  17           HA       CYS  17   2.705   4.459   9.398
  127   1HB   CYS  17          1HB       CYS  17   4.134   6.526   7.660
  128   2HB   CYS  17          2HB       CYS  17   2.406   6.443   8.034
  129    HG   CYS  17           HG       CYS  17   3.492   8.445   9.292
  130    H    ALA  18           H        ALA  18   5.385   3.831   7.249
  131    HA   ALA  18           HA       ALA  18   3.917   3.150   4.870
  132   1HB   ALA  18          1HB       ALA  18   6.274   3.852   4.826
  133   2HB   ALA  18          2HB       ALA  18   6.738   2.428   5.789
  134   3HB   ALA  18          3HB       ALA  18   6.102   2.224   4.144
  135    H    SER  19           H        SER  19   5.667   0.818   7.095
  136    HA   SER  19           HA       SER  19   4.097  -1.402   6.106
  137   1HB   SER  19          1HB       SER  19   5.788  -1.075   8.599
  138   2HB   SER  19          2HB       SER  19   4.922  -2.576   8.192
  139    HG   SER  19           HG       SER  19   5.972  -2.687   6.242
  140    H    SER  20           H        SER  20   3.240   1.043   8.422
  141    HA   SER  20           HA       SER  20   0.996  -0.380   9.567
  142   1HB   SER  20          1HB       SER  20   1.274   2.605   9.068
  143   2HB   SER  20          2HB       SER  20   0.115   1.805  10.129
  144    HG   SER  20           HG       SER  20   2.945   1.851  10.451
  145    H    ILE  21           H        ILE  21   1.513   0.819   6.309
  146    HA   ILE  21           HA       ILE  21  -1.288   0.832   5.438
  147    HB   ILE  21           HB       ILE  21   1.242   0.347   3.830
  148   1HG1  ILE  21          1HG1      ILE  21  -0.275   2.976   4.057
  149   2HG1  ILE  21          2HG1      ILE  21   1.073   2.624   5.112
  150   1HG2  ILE  21          1HG2      ILE  21  -0.132   1.011   1.901
  151   2HG2  ILE  21          2HG2      ILE  21  -0.787  -0.405   2.695
  152   3HG2  ILE  21          3HG2      ILE  21  -1.552   1.179   2.959
  153   1HD1  ILE  21          1HD1      ILE  21   1.225   2.792   2.097
  154   2HD1  ILE  21          2HD1      ILE  21   1.845   3.951   3.288
  155   3HD1  ILE  21          3HD1      ILE  21   2.563   2.331   3.156
  156    H    GLU  22           H        GLU  22   1.336  -1.621   5.408
  157    HA   GLU  22           HA       GLU  22  -0.073  -3.717   4.159
  158   1HB   GLU  22          1HB       GLU  22   2.055  -3.911   6.346
  159   2HB   GLU  22          2HB       GLU  22   1.599  -5.191   5.231
  160   1HG   GLU  22          1HG       GLU  22   2.386  -3.882   3.322
  161   2HG   GLU  22          2HG       GLU  22   2.774  -2.510   4.358
  162    H    ARG  23           H        ARG  23   0.213  -2.964   7.648
  163    HA   ARG  23           HA       ARG  23  -1.656  -4.952   8.503
  164   1HB   ARG  23          1HB       ARG  23   0.225  -3.754   9.761
  165   2HB   ARG  23          2HB       ARG  23  -0.911  -2.430  10.036
  166   1HG   ARG  23          1HG       ARG  23  -2.414  -3.869  11.278
  167   2HG   ARG  23          2HG       ARG  23  -1.580  -5.328  10.712
  168   1HD   ARG  23          1HD       ARG  23   0.463  -4.577  11.978
  169   2HD   ARG  23          2HD       ARG  23  -0.506  -3.280  12.686
  170    HE   ARG  23           HE       ARG  23  -0.884  -6.227  13.024
  171   1HH1  ARG  23          1HH1      ARG  23  -1.690  -3.019  14.280
  172   2HH1  ARG  23          2HH1      ARG  23  -2.496  -3.683  15.674
  173   1HH2  ARG  23          1HH2      ARG  23  -1.978  -6.999  14.778
  174   2HH2  ARG  23          2HH2      ARG  23  -2.666  -5.918  15.948
  175    H    ALA  24           H        ALA  24  -2.292  -2.007   6.970
  176    HA   ALA  24           HA       ALA  24  -5.042  -1.754   8.112
  177   1HB   ALA  24          1HB       ALA  24  -3.552   0.020   6.129
  178   2HB   ALA  24          2HB       ALA  24  -5.179   0.313   6.764
  179   3HB   ALA  24          3HB       ALA  24  -3.785   0.341   7.864
  180    H    ILE  25           H        ILE  25  -3.369  -2.490   5.015
  181    HA   ILE  25           HA       ILE  25  -5.845  -3.039   3.594
  182    HB   ILE  25           HB       ILE  25  -2.969  -3.744   2.915
  183   1HG1  ILE  25          1HG1      ILE  25  -4.781  -1.533   1.810
  184   2HG1  ILE  25          2HG1      ILE  25  -3.559  -1.255   3.047
  185   1HG2  ILE  25          1HG2      ILE  25  -4.414  -5.266   1.733
  186   2HG2  ILE  25          2HG2      ILE  25  -5.611  -3.994   1.411
  187   3HG2  ILE  25          3HG2      ILE  25  -4.058  -3.995   0.577
  188   1HD1  ILE  25          1HD1      ILE  25  -2.643  -0.599   0.930
  189   2HD1  ILE  25          2HD1      ILE  25  -1.790  -2.057   1.485
  190   3HD1  ILE  25          3HD1      ILE  25  -3.000  -2.162   0.199
  191    H    ALA  26           H        ALA  26  -3.681  -5.023   5.569
  192    HA   ALA  26           HA       ALA  26  -4.702  -7.571   5.201
  193   1HB   ALA  26          1HB       ALA  26  -4.078  -7.951   7.541
  194   2HB   ALA  26          2HB       ALA  26  -2.871  -6.937   6.732
  195   3HB   ALA  26          3HB       ALA  26  -4.049  -6.201   7.845
  196    H    LYS  27           H        LYS  27  -6.663  -4.921   6.159
  197    HA   LYS  27           HA       LYS  27  -8.813  -6.613   7.328
  198   1HB   LYS  27          1HB       LYS  27  -8.796  -3.656   6.708
  199   2HB   LYS  27          2HB       LYS  27  -9.984  -4.564   7.657
  200   1HG   LYS  27          1HG       LYS  27  -8.101  -5.125   9.302
  201   2HG   LYS  27          2HG       LYS  27  -7.086  -3.980   8.396
  202   1HD   LYS  27          1HD       LYS  27  -9.371  -2.512   8.701
  203   2HD   LYS  27          2HD       LYS  27  -9.435  -3.484  10.178
  204   1HE   LYS  27          1HE       LYS  27  -7.121  -2.724  10.749
  205   2HE   LYS  27          2HE       LYS  27  -7.062  -1.799   9.241
  206   1HZ   LYS  27          1HZ       LYS  27  -7.706  -0.349  11.059
  207   2HZ   LYS  27          2HZ       LYS  27  -8.987  -0.522  10.044
  208   3HZ   LYS  27          3HZ       LYS  27  -8.964  -1.333  11.467
  209    H    VAL  28           H        VAL  28  -7.841  -5.625   4.159
  210    HA   VAL  28           HA       VAL  28 -10.539  -5.089   3.151
  211    HB   VAL  28           HB       VAL  28  -7.908  -5.437   1.651
  212   1HG1  VAL  28          1HG1      VAL  28  -9.828  -5.921   0.165
  213   2HG1  VAL  28          2HG1      VAL  28 -10.642  -4.434   0.707
  214   3HG1  VAL  28          3HG1      VAL  28  -9.150  -4.337  -0.233
  215   1HG2  VAL  28          1HG2      VAL  28  -8.010  -2.956   1.456
  216   2HG2  VAL  28          2HG2      VAL  28  -9.504  -2.939   2.416
  217   3HG2  VAL  28          3HG2      VAL  28  -7.975  -3.433   3.155
  218    HA   PRO  29           HA       PRO  29 -11.371  -9.330   3.182
  219   1HB   PRO  29          1HB       PRO  29 -13.654  -9.560   1.601
  220   2HB   PRO  29          2HB       PRO  29 -13.602  -8.912   3.268
  221   1HG   PRO  29          1HG       PRO  29 -13.499  -7.364   0.660
  222   2HG   PRO  29          2HG       PRO  29 -14.529  -7.050   2.097
  223   1HD   PRO  29          1HD       PRO  29 -12.249  -5.671   1.729
  224   2HD   PRO  29          2HD       PRO  29 -12.661  -6.269   3.364
  225    H    GLY  30           H        GLY  30 -10.477  -7.937   0.141
  226   1HA   GLY  30          1HA       GLY  30 -10.119 -10.615  -1.127
  227   2HA   GLY  30          2HA       GLY  30  -9.903  -9.031  -1.901
  228    H    VAL  31           H        VAL  31  -8.290  -8.959   1.104
  229    HA   VAL  31           HA       VAL  31  -5.717  -8.603  -0.158
  230    HB   VAL  31           HB       VAL  31  -6.405  -7.480   1.850
  231   1HG1  VAL  31          1HG1      VAL  31  -7.301  -9.614   3.063
  232   2HG1  VAL  31          2HG1      VAL  31  -5.608  -9.930   3.465
  233   3HG1  VAL  31          3HG1      VAL  31  -6.388  -8.433   4.005
  234   1HG2  VAL  31          1HG2      VAL  31  -4.049  -7.599   1.093
  235   2HG2  VAL  31          2HG2      VAL  31  -4.164  -7.525   2.859
  236   3HG2  VAL  31          3HG2      VAL  31  -3.806  -9.067   2.056
  237    H    GLN  32           H        GLN  32  -4.570 -10.052  -1.050
  238    HA   GLN  32           HA       GLN  32  -4.617 -12.895  -0.080
  239   1HB   GLN  32          1HB       GLN  32  -4.365 -13.562  -2.383
  240   2HB   GLN  32          2HB       GLN  32  -5.732 -12.471  -2.216
  241   1HG   GLN  32          1HG       GLN  32  -4.884 -11.403  -4.022
  242   2HG   GLN  32          2HG       GLN  32  -3.786 -10.666  -2.893
  243   1HE2  GLN  32          1HE2      GLN  32  -1.589 -11.546  -2.651
  244   2HE2  GLN  32          2HE2      GLN  32  -0.908 -12.518  -3.940
  245    H    SER  33           H        SER  33  -2.502 -10.194  -0.602
  246    HA   SER  33           HA       SER  33  -0.478 -11.367   0.960
  247   1HB   SER  33          1HB       SER  33   0.266 -11.249  -1.994
  248   2HB   SER  33          2HB       SER  33   1.440 -11.259  -0.685
  249    HG   SER  33           HG       SER  33  -0.537 -13.268  -0.804
  250    H    CYS  34           H        CYS  34   1.018  -9.750   1.604
  251    HA   CYS  34           HA       CYS  34   1.001  -7.138   0.220
  252   1HB   CYS  34          1HB       CYS  34   1.216  -7.214   3.237
  253   2HB   CYS  34          2HB       CYS  34   0.655  -5.908   2.207
  254    HG   CYS  34           HG       CYS  34  -1.641  -7.246   1.574
  255    H    GLN  35           H        GLN  35   3.025  -6.310   0.006
  256    HA   GLN  35           HA       GLN  35   5.052  -6.718   2.065
  257   1HB   GLN  35          1HB       GLN  35   5.671  -7.363  -0.860
  258   2HB   GLN  35          2HB       GLN  35   6.837  -7.165   0.422
  259   1HG   GLN  35          1HG       GLN  35   6.790  -9.414   0.286
  260   2HG   GLN  35          2HG       GLN  35   5.629  -9.185   1.574
  261   1HE2  GLN  35          1HE2      GLN  35   5.546 -11.636   0.322
  262   2HE2  GLN  35          2HE2      GLN  35   4.216 -11.666  -0.826
  263    H    VAL  36           H        VAL  36   5.614  -4.646   2.539
  264    HA   VAL  36           HA       VAL  36   6.271  -2.752   0.315
  265    HB   VAL  36           HB       VAL  36   5.707  -2.199   3.256
  266   1HG1  VAL  36          1HG1      VAL  36   6.496  -0.232   1.072
  267   2HG1  VAL  36          2HG1      VAL  36   5.897   0.201   2.685
  268   3HG1  VAL  36          3HG1      VAL  36   7.439  -0.635   2.525
  269   1HG2  VAL  36          1HG2      VAL  36   3.673  -2.599   1.819
  270   2HG2  VAL  36          2HG2      VAL  36   3.767  -0.945   2.441
  271   3HG2  VAL  36          3HG2      VAL  36   4.214  -1.294   0.759
  272    H    ASN  37           H        ASN  37   8.301  -2.128   0.047
  273    HA   ASN  37           HA       ASN  37  10.421  -3.415   1.727
  274   1HB   ASN  37          1HB       ASN  37  10.259  -3.956  -0.736
  275   2HB   ASN  37          2HB       ASN  37  10.633  -2.263  -1.078
  276   1HD2  ASN  37          1HD2      ASN  37  11.880  -5.315   0.157
  277   2HD2  ASN  37          2HD2      ASN  37  13.569  -4.815   0.166
  278    H    PHE  38           H        PHE  38  10.716  -1.913   3.395
  279    HA   PHE  38           HA       PHE  38  10.859   0.908   2.917
  280   1HB   PHE  38          1HB       PHE  38  10.033  -0.369   4.975
  281   2HB   PHE  38          2HB       PHE  38  11.721  -0.506   5.442
  282    HD1  PHE  38           HD1      PHE  38  12.867   1.428   6.411
  283    HD2  PHE  38           HD2      PHE  38   8.927   1.874   4.704
  284    HE1  PHE  38           HE1      PHE  38  12.683   3.682   7.420
  285    HE2  PHE  38           HE2      PHE  38   8.733   4.111   5.777
  286    HZ   PHE  38           HZ       PHE  38  10.598   5.019   7.117
  287    H    ALA  39           H        ALA  39  12.647   0.101   1.155
  288    HA   ALA  39           HA       ALA  39  15.102   1.453   1.961
  289   1HB   ALA  39          1HB       ALA  39  16.593  -0.407   1.262
  290   2HB   ALA  39          2HB       ALA  39  15.626  -0.841   2.685
  291   3HB   ALA  39          3HB       ALA  39  15.186  -1.479   1.083
  292    H    LEU  40           H        LEU  40  13.592  -0.570  -0.685
  293    HA   LEU  40           HA       LEU  40  14.462   1.453  -2.648
  294   1HB   LEU  40          1HB       LEU  40  15.349  -0.652  -3.124
  295   2HB   LEU  40          2HB       LEU  40  13.957  -1.513  -2.499
  296    HG   LEU  40           HG       LEU  40  12.643  -0.901  -4.374
  297   1HD1  LEU  40          1HD1      LEU  40  13.991   1.143  -5.201
  298   2HD1  LEU  40          2HD1      LEU  40  15.276   0.038  -5.683
  299   3HD1  LEU  40          3HD1      LEU  40  13.691  -0.040  -6.482
  300   1HD2  LEU  40          1HD2      LEU  40  13.859  -3.065  -4.260
  301   2HD2  LEU  40          2HD2      LEU  40  13.682  -2.524  -5.939
  302   3HD2  LEU  40          3HD2      LEU  40  15.238  -2.342  -5.102
  303    H    GLU  41           H        GLU  41  11.837   0.969  -0.718
  304    HA   GLU  41           HA       GLU  41   9.922   2.085  -0.582
  305   1HB   GLU  41          1HB       GLU  41  10.620   3.605  -3.119
  306   2HB   GLU  41          2HB       GLU  41   9.585   4.095  -1.784
  307   1HG   GLU  41          1HG       GLU  41  11.665   3.956  -0.284
  308   2HG   GLU  41          2HG       GLU  41  12.613   3.809  -1.771
  309    H    GLN  42           H        GLN  42  10.030  -0.402  -2.567
  310    HA   GLN  42           HA       GLN  42   7.650   0.227  -4.163
  311   1HB   GLN  42          1HB       GLN  42   7.664  -1.923  -5.015
  312   2HB   GLN  42          2HB       GLN  42   9.332  -1.419  -4.947
  313   1HG   GLN  42          1HG       GLN  42   8.903  -2.744  -2.454
  314   2HG   GLN  42          2HG       GLN  42   7.860  -3.629  -3.542
  315   1HE2  GLN  42          1HE2      GLN  42  11.267  -2.354  -3.325
  316   2HE2  GLN  42          2HE2      GLN  42  11.923  -3.782  -4.107
  317    H    ALA  43           H        ALA  43   5.587  -0.541  -3.869
  318    HA   ALA  43           HA       ALA  43   5.052  -2.239  -1.488
  319   1HB   ALA  43          1HB       ALA  43   3.917  -0.031  -1.202
  320   2HB   ALA  43          2HB       ALA  43   3.134  -0.245  -2.781
  321   3HB   ALA  43          3HB       ALA  43   2.751  -1.353  -1.447
  322    H    VAL  44           H        VAL  44   4.215  -4.189  -2.035
  323    HA   VAL  44           HA       VAL  44   2.619  -4.323  -4.527
  324    HB   VAL  44           HB       VAL  44   4.535  -5.518  -5.223
  325   1HG1  VAL  44          1HG1      VAL  44   5.607  -6.059  -3.058
  326   2HG1  VAL  44          2HG1      VAL  44   4.372  -7.311  -2.773
  327   3HG1  VAL  44          3HG1      VAL  44   5.500  -7.462  -4.128
  328   1HG2  VAL  44          1HG2      VAL  44   2.490  -7.626  -4.416
  329   2HG2  VAL  44          2HG2      VAL  44   2.275  -6.487  -5.755
  330   3HG2  VAL  44          3HG2      VAL  44   3.602  -7.661  -5.797
  331    H    VAL  45           H        VAL  45   0.620  -4.743  -4.055
  332    HA   VAL  45           HA       VAL  45   0.030  -6.805  -2.038
  333    HB   VAL  45           HB       VAL  45  -1.560  -4.238  -1.825
  334   1HG1  VAL  45          1HG1      VAL  45  -2.635  -6.309  -0.908
  335   2HG1  VAL  45          2HG1      VAL  45  -1.221  -6.510   0.140
  336   3HG1  VAL  45          3HG1      VAL  45  -2.254  -5.124   0.355
  337   1HG2  VAL  45          1HG2      VAL  45   0.756  -4.932  -0.008
  338   2HG2  VAL  45          2HG2      VAL  45   0.662  -3.563  -1.138
  339   3HG2  VAL  45          3HG2      VAL  45  -0.424  -3.638   0.245
  340    H    SER  46           H        SER  46  -1.680  -8.039  -2.648
  341    HA   SER  46           HA       SER  46  -3.619  -6.814  -4.558
  342   1HB   SER  46          1HB       SER  46  -2.992  -8.331  -5.976
  343   2HB   SER  46          2HB       SER  46  -2.485  -9.544  -4.917
  344    HG   SER  46           HG       SER  46  -4.979  -8.729  -5.945
  345    H    TYR  47           H        TYR  47  -5.642  -6.827  -4.067
  346    HA   TYR  47           HA       TYR  47  -6.734  -7.904  -1.671
  347   1HB   TYR  47          1HB       TYR  47  -6.955  -5.782  -0.448
  348   2HB   TYR  47          2HB       TYR  47  -5.333  -6.395  -0.556
  349    HD1  TYR  47           HD1      TYR  47  -7.137  -3.428  -0.640
  350    HD2  TYR  47           HD2      TYR  47  -3.870  -5.412  -2.594
  351    HE1  TYR  47           HE1      TYR  47  -6.027  -1.245  -1.035
  352    HE2  TYR  47           HE2      TYR  47  -2.868  -3.247  -3.164
  353    HH   TYR  47           HH       TYR  47  -4.034  -0.167  -1.960
  354    H    HIS  48           H        HIS  48  -7.451  -7.970  -4.328
  355    HA   HIS  48           HA       HIS  48  -9.979  -6.385  -4.529
  356   1HB   HIS  48          1HB       HIS  48  -7.770  -6.490  -6.595
  357   2HB   HIS  48          2HB       HIS  48  -9.280  -5.570  -6.722
  358    HD2  HIS  48           HD2      HIS  48  -5.768  -5.521  -5.300
  359    HE1  HIS  48           HE1      HIS  48  -7.632  -1.992  -3.796
  360    HE2  HIS  48           HE2      HIS  48  -5.432  -3.234  -4.018
  361    H    GLY  49           H        GLY  49 -11.546  -7.725  -5.087
  362   1HA   GLY  49          1HA       GLY  49 -11.065 -10.164  -6.778
  363   2HA   GLY  49          2HA       GLY  49 -12.464  -9.873  -5.724
  364    H    GLU  50           H        GLU  50 -14.182  -8.906  -6.498
  365    HA   GLU  50           HA       GLU  50 -14.823  -8.821  -9.211
  366   1HB   GLU  50          1HB       GLU  50 -16.211  -9.237  -7.181
  367   2HB   GLU  50          2HB       GLU  50 -16.114  -7.524  -6.776
  368   1HG   GLU  50          1HG       GLU  50 -17.460  -6.944  -8.730
  369   2HG   GLU  50          2HG       GLU  50 -17.401  -8.628  -9.305
  370    H    THR  51           H        THR  51 -13.375  -6.261  -7.318
  371    HA   THR  51           HA       THR  51 -13.209  -4.360  -9.476
  372    HB   THR  51           HB       THR  51 -15.406  -4.092  -7.435
  373    HG1  THR  51           HG1      THR  51 -15.529  -4.704  -9.710
  374   1HG2  THR  51          1HG2      THR  51 -14.098  -1.683  -8.779
  375   2HG2  THR  51          2HG2      THR  51 -15.664  -1.702  -7.950
  376   3HG2  THR  51          3HG2      THR  51 -14.191  -1.986  -7.019
  377    H    THR  52           H        THR  52 -12.018  -2.451  -8.826
  378    HA   THR  52           HA       THR  52 -10.501  -2.758  -6.289
  379    HB   THR  52           HB       THR  52  -9.098  -3.271  -8.186
  380    HG1  THR  52           HG1      THR  52  -8.286  -2.379  -6.338
  381   1HG2  THR  52          1HG2      THR  52 -10.044  -1.722  -9.932
  382   2HG2  THR  52          2HG2      THR  52  -9.298  -0.365  -9.054
  383   3HG2  THR  52          3HG2      THR  52  -8.282  -1.643  -9.737
  384    HA   PRO  53           HA       PRO  53 -12.555   1.289  -5.908
  385   1HB   PRO  53          1HB       PRO  53 -13.042   1.291  -3.255
  386   2HB   PRO  53          2HB       PRO  53 -13.864   0.128  -4.340
  387   1HG   PRO  53          1HG       PRO  53 -11.403  -0.331  -2.644
  388   2HG   PRO  53          2HG       PRO  53 -12.866  -1.354  -2.744
  389   1HD   PRO  53          1HD       PRO  53 -10.541  -1.805  -4.187
  390   2HD   PRO  53          2HD       PRO  53 -12.166  -2.284  -4.764
  391    H    GLN  54           H        GLN  54 -12.130   3.239  -4.137
  392    HA   GLN  54           HA       GLN  54  -9.450   4.099  -4.704
  393   1HB   GLN  54          1HB       GLN  54 -10.120   6.122  -4.011
  394   2HB   GLN  54          2HB       GLN  54 -11.728   5.439  -4.204
  395   1HG   GLN  54          1HG       GLN  54 -10.141   5.766  -1.600
  396   2HG   GLN  54          2HG       GLN  54 -11.505   6.687  -2.122
  397   1HE2  GLN  54          1HE2      GLN  54 -11.324   5.296   0.422
  398   2HE2  GLN  54          2HE2      GLN  54 -12.654   4.143   0.370
  399    H    ILE  55           H        ILE  55 -10.688   2.222  -2.119
  400    HA   ILE  55           HA       ILE  55  -8.882   2.577   0.001
  401    HB   ILE  55           HB       ILE  55 -10.017   0.010  -1.081
  402   1HG1  ILE  55          1HG1      ILE  55 -11.167   1.923   1.005
  403   2HG1  ILE  55          2HG1      ILE  55 -11.780   1.710  -0.633
  404   1HG2  ILE  55          1HG2      ILE  55  -8.941   0.680   1.692
  405   2HG2  ILE  55          2HG2      ILE  55  -9.780  -0.829   1.268
  406   3HG2  ILE  55          3HG2      ILE  55  -8.241  -0.474   0.533
  407   1HD1  ILE  55          1HD1      ILE  55 -11.917  -0.324   1.602
  408   2HD1  ILE  55          2HD1      ILE  55 -13.238   0.513   0.781
  409   3HD1  ILE  55          3HD1      ILE  55 -12.285  -0.694  -0.104
  410    H    LEU  56           H        LEU  56  -8.209   1.667  -3.191
  411    HA   LEU  56           HA       LEU  56  -5.812   0.151  -2.673
  412   1HB   LEU  56          1HB       LEU  56  -5.510  -0.071  -4.917
  413   2HB   LEU  56          2HB       LEU  56  -7.235  -0.012  -4.723
  414    HG   LEU  56           HG       LEU  56  -6.944   2.576  -5.304
  415   1HD1  LEU  56          1HD1      LEU  56  -5.110   2.994  -6.912
  416   2HD1  LEU  56          2HD1      LEU  56  -4.411   2.537  -5.360
  417   3HD1  LEU  56          3HD1      LEU  56  -4.482   1.353  -6.662
  418   1HD2  LEU  56          1HD2      LEU  56  -8.167   0.947  -6.724
  419   2HD2  LEU  56          2HD2      LEU  56  -7.220   2.072  -7.702
  420   3HD2  LEU  56          3HD2      LEU  56  -6.632   0.417  -7.439
  421    H    THR  57           H        THR  57  -6.421   3.608  -2.810
  422    HA   THR  57           HA       THR  57  -3.511   3.977  -2.136
  423    HB   THR  57           HB       THR  57  -5.272   6.219  -3.171
  424    HG1  THR  57           HG1      THR  57  -3.851   4.188  -4.416
  425   1HG2  THR  57          1HG2      THR  57  -3.153   6.832  -1.950
  426   2HG2  THR  57          2HG2      THR  57  -2.232   5.816  -3.072
  427   3HG2  THR  57          3HG2      THR  57  -3.100   7.257  -3.658
  428    H    ASP  58           H        ASP  58  -6.849   4.580  -1.112
  429    HA   ASP  58           HA       ASP  58  -6.793   6.441   0.797
  430   1HB   ASP  58          1HB       ASP  58  -8.556   4.707   0.087
  431   2HB   ASP  58          2HB       ASP  58  -7.908   3.694   1.389
  432    H    ALA  59           H        ALA  59  -5.717   3.076   1.594
  433    HA   ALA  59           HA       ALA  59  -4.963   3.775   4.233
  434   1HB   ALA  59          1HB       ALA  59  -3.891   1.497   4.235
  435   2HB   ALA  59          2HB       ALA  59  -5.509   1.462   3.501
  436   3HB   ALA  59          3HB       ALA  59  -4.064   1.430   2.468
  437    H    VAL  60           H        VAL  60  -3.262   4.416   1.401
  438    HA   VAL  60           HA       VAL  60  -0.616   4.856   2.658
  439    HB   VAL  60           HB       VAL  60  -1.379   5.726  -0.152
  440   1HG1  VAL  60          1HG1      VAL  60   1.005   5.442  -0.605
  441   2HG1  VAL  60          2HG1      VAL  60   0.752   6.531   0.759
  442   3HG1  VAL  60          3HG1      VAL  60   1.270   4.874   1.056
  443   1HG2  VAL  60          1HG2      VAL  60  -1.981   3.348  -0.139
  444   2HG2  VAL  60          2HG2      VAL  60  -0.493   3.597  -1.047
  445   3HG2  VAL  60          3HG2      VAL  60  -0.424   2.936   0.597
  446    H    GLU  61           H        GLU  61  -3.482   6.641   1.433
  447    HA   GLU  61           HA       GLU  61  -2.462   9.326   1.622
  448   1HB   GLU  61          1HB       GLU  61  -5.315   8.339   2.033
  449   2HB   GLU  61          2HB       GLU  61  -4.842  10.001   1.780
  450   1HG   GLU  61          1HG       GLU  61  -4.450   7.775  -0.265
  451   2HG   GLU  61          2HG       GLU  61  -5.838   8.841  -0.207
  452    H    ARG  62           H        ARG  62  -4.318   7.317   3.879
  453    HA   ARG  62           HA       ARG  62  -4.419   8.708   6.251
  454   1HB   ARG  62          1HB       ARG  62  -5.392   6.577   6.043
  455   2HB   ARG  62          2HB       ARG  62  -3.908   5.812   5.527
  456   1HG   ARG  62          1HG       ARG  62  -4.358   6.805   8.370
  457   2HG   ARG  62          2HG       ARG  62  -4.742   5.190   7.789
  458   1HD   ARG  62          1HD       ARG  62  -2.115   5.303   7.009
  459   2HD   ARG  62          2HD       ARG  62  -2.045   6.367   8.396
  460    HE   ARG  62           HE       ARG  62  -2.831   4.630   9.830
  461   1HH1  ARG  62          1HH1      ARG  62  -2.111   3.458   6.519
  462   2HH1  ARG  62          2HH1      ARG  62  -1.784   1.846   7.124
  463   1HH2  ARG  62          1HH2      ARG  62  -2.472   2.486  10.423
  464   2HH2  ARG  62          2HH2      ARG  62  -2.044   1.308   9.184
  465    H    ALA  63           H        ALA  63  -1.427   7.378   4.839
  466    HA   ALA  63           HA       ALA  63   0.050   7.626   7.392
  467   1HB   ALA  63          1HB       ALA  63   0.904   6.832   4.571
  468   2HB   ALA  63          2HB       ALA  63   1.955   6.799   5.971
  469   3HB   ALA  63          3HB       ALA  63   0.532   5.731   5.907
  470    H    GLY  64           H        GLY  64  -0.917   9.853   5.078
  471   1HA   GLY  64          1HA       GLY  64  -0.267  12.098   4.778
  472   2HA   GLY  64          2HA       GLY  64   1.340  11.738   5.489
  473    H    TYR  65           H        TYR  65   0.609   9.162   3.584
  474    HA   TYR  65           HA       TYR  65   2.670  10.078   1.683
  475   1HB   TYR  65          1HB       TYR  65   1.946   7.302   2.650
  476   2HB   TYR  65          2HB       TYR  65   3.245   7.675   1.557
  477    HD1  TYR  65           HD1      TYR  65   4.053   6.080   3.679
  478    HD2  TYR  65           HD2      TYR  65   3.551  10.371   3.763
  479    HE1  TYR  65           HE1      TYR  65   5.631   6.257   5.597
  480    HE2  TYR  65           HE2      TYR  65   4.953  10.508   5.757
  481    HH   TYR  65           HH       TYR  65   6.828   7.791   7.004
  482    H    HIS  66           H        HIS  66   2.729   8.612  -0.383
  483    HA   HIS  66           HA       HIS  66   0.107   8.660  -1.772
  484   1HB   HIS  66          1HB       HIS  66   2.377  10.687  -2.077
  485   2HB   HIS  66          2HB       HIS  66   1.332  10.337  -3.438
  486    HD1  HIS  66           HD1      HIS  66   1.223  12.066  -0.012
  487    HD2  HIS  66           HD2      HIS  66  -1.441  10.575  -2.897
  488    HE1  HIS  66           HE1      HIS  66  -1.133  12.706   0.728
  489    HE2  HIS  66           HE2      HIS  66  -2.712  11.728  -1.028
  490    H    ALA  67           H        ALA  67   0.434   8.074  -4.163
  491    HA   ALA  67           HA       ALA  67   2.452   5.883  -4.316
  492   1HB   ALA  67          1HB       ALA  67  -0.026   6.527  -5.980
  493   2HB   ALA  67          2HB       ALA  67   1.014   5.112  -6.189
  494   3HB   ALA  67          3HB       ALA  67   0.093   5.309  -4.687
  495    H    ARG  68           H        ARG  68   3.827   5.581  -6.062
  496    HA   ARG  68           HA       ARG  68   3.924   7.523  -8.277
  497   1HB   ARG  68          1HB       ARG  68   6.438   7.704  -8.065
  498   2HB   ARG  68          2HB       ARG  68   5.479   8.599  -6.892
  499   1HG   ARG  68          1HG       ARG  68   5.900   6.875  -5.180
  500   2HG   ARG  68          2HG       ARG  68   6.814   5.932  -6.338
  501   1HD   ARG  68          1HD       ARG  68   7.751   8.751  -5.900
  502   2HD   ARG  68          2HD       ARG  68   7.904   7.645  -4.538
  503    HE   ARG  68           HE       ARG  68   8.926   6.358  -6.870
  504   1HH1  ARG  68          1HH1      ARG  68   9.837   8.833  -4.464
  505   2HH1  ARG  68          2HH1      ARG  68  11.485   8.298  -4.455
  506   1HH2  ARG  68          1HH2      ARG  68  11.019   5.807  -6.842
  507   2HH2  ARG  68          2HH2      ARG  68  12.186   6.728  -5.895
  508    H    VAL  69           H        VAL  69   4.340   6.484 -10.239
  509    HA   VAL  69           HA       VAL  69   4.444   3.610 -10.112
  510    HB   VAL  69           HB       VAL  69   4.460   3.933 -12.658
  511   1HG1  VAL  69          1HG1      VAL  69   2.118   4.990 -11.030
  512   2HG1  VAL  69          2HG1      VAL  69   2.023   4.343 -12.682
  513   3HG1  VAL  69          3HG1      VAL  69   2.482   3.278 -11.343
  514   1HG2  VAL  69          1HG2      VAL  69   5.196   6.295 -12.788
  515   2HG2  VAL  69          2HG2      VAL  69   3.642   6.022 -13.583
  516   3HG2  VAL  69          3HG2      VAL  69   3.687   6.794 -11.988
  517    H    LEU  70           H        LEU  70   6.117   2.324 -10.156
  518    HA   LEU  70           HA       LEU  70   8.774   3.461 -10.652
  519   1HB   LEU  70          1HB       LEU  70   9.625   1.737  -9.491
  520   2HB   LEU  70          2HB       LEU  70   8.058   1.890  -8.767
  521    HG   LEU  70           HG       LEU  70   7.372  -0.068 -10.411
  522   1HD1  LEU  70          1HD1      LEU  70  10.393  -0.540 -10.102
  523   2HD1  LEU  70          2HD1      LEU  70   9.224  -1.641 -10.858
  524   3HD1  LEU  70          3HD1      LEU  70   9.627  -0.104 -11.632
  525   1HD2  LEU  70          1HD2      LEU  70   8.040  -1.709  -8.686
  526   2HD2  LEU  70          2HD2      LEU  70   9.147  -0.517  -7.969
  527   3HD2  LEU  70          3HD2      LEU  70   7.396  -0.238  -7.957
  528    H    LYS  71           H        LYS  71   9.208   3.865 -12.692
  529    HA   LYS  71           HA       LYS  71   8.949   1.876 -14.818
  530   1HB   LYS  71          1HB       LYS  71   6.564   2.721 -14.352
  531   2HB   LYS  71          2HB       LYS  71   7.112   4.311 -14.840
  532   1HG   LYS  71          1HG       LYS  71   7.942   2.816 -17.018
  533   2HG   LYS  71          2HG       LYS  71   6.632   1.811 -16.428
  534   1HD   LYS  71          1HD       LYS  71   5.402   3.123 -17.807
  535   2HD   LYS  71          2HD       LYS  71   5.315   4.179 -16.405
  536   1HE   LYS  71          1HE       LYS  71   7.247   4.372 -18.773
  537   2HE   LYS  71          2HE       LYS  71   5.851   5.415 -18.486
  538   1HZ   LYS  71          1HZ       LYS  71   7.810   6.533 -17.857
  539   2HZ   LYS  71          2HZ       LYS  71   7.036   6.189 -16.445
  540   3HZ   LYS  71          3HZ       LYS  71   8.357   5.318 -16.911
  541    H    GLN  72           H        GLN  72  10.937   2.274 -15.644
  542    HA   GLN  72           HA       GLN  72  12.009   4.887 -16.299
  543   1HB   GLN  72          1HB       GLN  72  12.711   2.074 -17.287
  544   2HB   GLN  72          2HB       GLN  72  13.662   3.528 -17.569
  545   1HG   GLN  72          1HG       GLN  72  14.800   2.534 -15.848
  546   2HG   GLN  72          2HG       GLN  72  13.871   3.777 -15.027
  547   1HE2  GLN  72          1HE2      GLN  72  14.935   1.772 -13.462
  548   2HE2  GLN  72          2HE2      GLN  72  13.643   0.668 -12.998
  549    H    GLN  73           H        GLN  73  12.830   4.546 -19.020
  550    HA   GLN  73           HA       GLN  73  10.630   4.064 -20.777
  551   1HB   GLN  73          1HB       GLN  73  10.852   6.725 -19.591
  552   2HB   GLN  73          2HB       GLN  73  11.252   6.841 -21.296
  553   1HG   GLN  73          1HG       GLN  73   9.122   6.066 -21.987
  554   2HG   GLN  73          2HG       GLN  73   8.764   5.341 -20.416
  555   1HE2  GLN  73          1HE2      GLN  73   9.022   8.532 -22.097
  556   2HE2  GLN  73          2HE2      GLN  73   8.054   9.341 -20.875
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1  -6.948 -10.877 -13.326
    2   2H    MET   1          2H        MET   1  -6.106 -10.705 -14.739
    3   3H    MET   1          3H        MET   1  -5.372 -10.469 -13.268
    4    HA   MET   1           HA       MET   1  -6.510 -13.050 -14.121
    5   1HB   MET   1          1HB       MET   1  -3.612 -12.100 -14.166
    6   2HB   MET   1          2HB       MET   1  -4.098 -13.806 -14.209
    7   1HG   MET   1          1HG       MET   1  -5.374 -13.431 -16.270
    8   2HG   MET   1          2HG       MET   1  -4.918 -11.717 -16.264
    9   1HE   MET   1          1HE       MET   1  -2.871 -13.268 -19.275
   10   2HE   MET   1          2HE       MET   1  -4.482 -13.783 -18.733
   11   3HE   MET   1          3HE       MET   1  -4.077 -12.050 -18.808
   12    H    ALA   2           H        ALA   2  -3.631 -13.036 -12.143
   13    HA   ALA   2           HA       ALA   2  -4.981 -12.780  -9.571
   14   1HB   ALA   2          1HB       ALA   2  -2.666 -13.651  -9.792
   15   2HB   ALA   2          2HB       ALA   2  -2.136 -12.100 -10.488
   16   3HB   ALA   2          3HB       ALA   2  -2.700 -12.184  -8.807
   17    H    GLN   3           H        GLN   3  -4.885 -10.780  -8.316
   18    HA   GLN   3           HA       GLN   3  -5.415  -8.346  -9.948
   19   1HB   GLN   3          1HB       GLN   3  -7.020  -7.759  -8.274
   20   2HB   GLN   3          2HB       GLN   3  -7.377  -9.352  -8.900
   21   1HG   GLN   3          1HG       GLN   3  -5.932  -8.979  -6.240
   22   2HG   GLN   3          2HG       GLN   3  -7.662  -8.875  -6.392
   23   1HE2  GLN   3          1HE2      GLN   3  -8.576 -10.694  -5.555
   24   2HE2  GLN   3          2HE2      GLN   3  -7.969 -12.321  -5.882
   25    H    THR   4           H        THR   4  -2.722  -8.715  -9.393
   26    HA   THR   4           HA       THR   4  -2.186  -7.028  -7.028
   27    HB   THR   4           HB       THR   4  -0.839  -9.042  -7.050
   28    HG1  THR   4           HG1      THR   4   0.151  -7.130  -6.357
   29   1HG2  THR   4          1HG2      THR   4   0.841  -9.478  -8.791
   30   2HG2  THR   4          2HG2      THR   4  -0.788  -9.562  -9.477
   31   3HG2  THR   4          3HG2      THR   4   0.227  -8.128  -9.762
   32    H    ILE   5           H        ILE   5  -1.207  -5.191  -6.996
   33    HA   ILE   5           HA       ILE   5  -0.211  -3.937  -9.492
   34    HB   ILE   5           HB       ILE   5  -1.517  -2.488  -7.134
   35   1HG1  ILE   5          1HG1      ILE   5  -2.868  -1.421  -9.089
   36   2HG1  ILE   5          2HG1      ILE   5  -2.350  -2.798 -10.053
   37   1HG2  ILE   5          1HG2      ILE   5  -0.981  -0.400  -8.393
   38   2HG2  ILE   5          2HG2      ILE   5   0.461  -1.242  -7.857
   39   3HG2  ILE   5          3HG2      ILE   5  -0.046  -1.360  -9.558
   40   1HD1  ILE   5          1HD1      ILE   5  -3.910  -2.977  -7.430
   41   2HD1  ILE   5          2HD1      ILE   5  -4.642  -2.976  -9.046
   42   3HD1  ILE   5          3HD1      ILE   5  -3.597  -4.313  -8.568
   43    H    ASN   6           H        ASN   6   1.873  -3.301  -9.314
   44    HA   ASN   6           HA       ASN   6   3.159  -3.107  -6.657
   45   1HB   ASN   6          1HB       ASN   6   5.279  -3.874  -7.618
   46   2HB   ASN   6          2HB       ASN   6   4.050  -5.139  -7.717
   47   1HD2  ASN   6          1HD2      ASN   6   2.899  -5.377  -9.850
   48   2HD2  ASN   6          2HD2      ASN   6   3.757  -4.899 -11.306
   49    H    LEU   7           H        LEU   7   4.337  -1.249  -6.388
   50    HA   LEU   7           HA       LEU   7   4.842   0.642  -8.522
   51   1HB   LEU   7          1HB       LEU   7   3.216   2.186  -8.143
   52   2HB   LEU   7          2HB       LEU   7   2.324   0.707  -8.111
   53    HG   LEU   7           HG       LEU   7   3.110   2.346  -5.659
   54   1HD1  LEU   7          1HD1      LEU   7   0.432   1.867  -7.019
   55   2HD1  LEU   7          2HD1      LEU   7   0.699   2.769  -5.512
   56   3HD1  LEU   7          3HD1      LEU   7   1.374   3.376  -7.039
   57   1HD2  LEU   7          1HD2      LEU   7   1.463  -0.217  -5.825
   58   2HD2  LEU   7          2HD2      LEU   7   3.026  -0.007  -5.002
   59   3HD2  LEU   7          3HD2      LEU   7   1.598   0.832  -4.396
   60    H    GLN   8           H        GLN   8   5.397   2.892  -7.308
   61    HA   GLN   8           HA       GLN   8   7.228   2.309  -5.028
   62   1HB   GLN   8          1HB       GLN   8   7.357   4.211  -7.330
   63   2HB   GLN   8          2HB       GLN   8   8.100   4.670  -5.788
   64   1HG   GLN   8          1HG       GLN   8   9.553   2.772  -5.792
   65   2HG   GLN   8          2HG       GLN   8   8.684   1.990  -7.090
   66   1HE2  GLN   8          1HE2      GLN   8  10.549   5.125  -6.440
   67   2HE2  GLN   8          2HE2      GLN   8  11.230   5.111  -8.055
   68    H    LEU   9           H        LEU   9   7.405   4.237  -3.480
   69    HA   LEU   9           HA       LEU   9   4.653   5.285  -3.009
   70   1HB   LEU   9          1HB       LEU   9   5.943   3.136  -1.678
   71   2HB   LEU   9          2HB       LEU   9   6.101   4.503  -0.580
   72    HG   LEU   9           HG       LEU   9   3.634   4.851  -0.767
   73   1HD1  LEU   9          1HD1      LEU   9   3.814   2.314  -2.459
   74   2HD1  LEU   9          2HD1      LEU   9   2.323   2.795  -1.638
   75   3HD1  LEU   9          3HD1      LEU   9   3.014   3.846  -2.874
   76   1HD2  LEU   9          1HD2      LEU   9   4.626   3.544   1.089
   77   2HD2  LEU   9          2HD2      LEU   9   3.049   2.882   0.621
   78   3HD2  LEU   9          3HD2      LEU   9   4.537   2.066   0.105
   79    H    GLU  10           H        GLU  10   4.911   7.368  -3.459
   80    HA   GLU  10           HA       GLU  10   7.340   8.820  -3.187
   81   1HB   GLU  10          1HB       GLU  10   4.629   9.249  -4.175
   82   2HB   GLU  10          2HB       GLU  10   5.163  10.681  -3.319
   83   1HG   GLU  10          1HG       GLU  10   6.987  11.070  -4.736
   84   2HG   GLU  10          2HG       GLU  10   7.008   9.419  -5.345
   85    H    GLY  11           H        GLY  11   8.264   9.438  -1.411
   86   1HA   GLY  11          1HA       GLY  11   8.489  10.922   0.419
   87   2HA   GLY  11          2HA       GLY  11   6.718  10.987   0.597
   88    H    MET  12           H        MET  12   7.699   7.695   0.388
   89    HA   MET  12           HA       MET  12   7.102   6.918   2.914
   90   1HB   MET  12          1HB       MET  12   7.811   5.628   0.700
   91   2HB   MET  12          2HB       MET  12   9.377   5.537   1.507
   92   1HG   MET  12          1HG       MET  12   7.918   4.813   3.542
   93   2HG   MET  12          2HG       MET  12   6.681   4.453   2.340
   94   1HE   MET  12          1HE       MET  12   8.418   1.635   0.187
   95   2HE   MET  12          2HE       MET  12   6.881   2.428   0.525
   96   3HE   MET  12          3HE       MET  12   8.239   3.372  -0.126
   97    H    ARG  13           H        ARG  13   7.819   7.880   4.761
   98    HA   ARG  13           HA       ARG  13  10.754   8.125   5.300
   99   1HB   ARG  13          1HB       ARG  13   8.670  10.323   5.200
  100   2HB   ARG  13          2HB       ARG  13  10.114  10.490   6.199
  101   1HG   ARG  13          1HG       ARG  13  11.579  10.121   4.263
  102   2HG   ARG  13          2HG       ARG  13  10.171   9.972   3.201
  103   1HD   ARG  13          1HD       ARG  13   9.468  12.265   3.791
  104   2HD   ARG  13          2HD       ARG  13  10.898  12.417   4.833
  105    HE   ARG  13           HE       ARG  13  11.242  11.704   1.967
  106   1HH1  ARG  13          1HH1      ARG  13  11.777  14.155   4.459
  107   2HH1  ARG  13          2HH1      ARG  13  12.889  15.057   3.472
  108   1HH2  ARG  13          1HH2      ARG  13  12.584  12.937   0.714
  109   2HH2  ARG  13          2HH2      ARG  13  13.328  14.376   1.350
  110    H    CYS  14           H        CYS  14   7.794   7.165   6.708
  111    HA   CYS  14           HA       CYS  14   9.251   6.997   9.312
  112   1HB   CYS  14          1HB       CYS  14   7.464   8.750   9.450
  113   2HB   CYS  14          2HB       CYS  14   6.266   7.523   9.010
  114    HG   CYS  14           HG       CYS  14   8.178   7.890  11.674
  115    H    ALA  15           H        ALA  15   9.641   4.951   9.805
  116    HA   ALA  15           HA       ALA  15   8.603   2.678   8.520
  117   1HB   ALA  15          1HB       ALA  15  10.711   2.734   9.785
  118   2HB   ALA  15          2HB       ALA  15   9.817   2.961  11.311
  119   3HB   ALA  15          3HB       ALA  15   9.654   1.451  10.393
  120    H    ALA  16           H        ALA  16   7.376   4.289  11.487
  121    HA   ALA  16           HA       ALA  16   5.402   2.323  12.140
  122   1HB   ALA  16          1HB       ALA  16   4.426   4.112  13.515
  123   2HB   ALA  16          2HB       ALA  16   6.186   4.076  13.708
  124   3HB   ALA  16          3HB       ALA  16   5.422   5.330  12.702
  125    H    CYS  17           H        CYS  17   4.940   5.459  10.325
  126    HA   CYS  17           HA       CYS  17   2.324   4.976   9.458
  127   1HB   CYS  17          1HB       CYS  17   4.566   6.474   8.012
  128   2HB   CYS  17          2HB       CYS  17   2.844   6.601   7.666
  129    HG   CYS  17           HG       CYS  17   3.259   8.712   8.940
  130    H    ALA  18           H        ALA  18   5.379   3.896   7.878
  131    HA   ALA  18           HA       ALA  18   4.100   2.735   5.578
  132   1HB   ALA  18          1HB       ALA  18   6.492   3.318   5.631
  133   2HB   ALA  18          2HB       ALA  18   6.780   2.112   6.906
  134   3HB   ALA  18          3HB       ALA  18   6.279   1.598   5.286
  135    H    SER  19           H        SER  19   5.153   1.137   8.677
  136    HA   SER  19           HA       SER  19   4.033  -1.413   7.854
  137   1HB   SER  19          1HB       SER  19   5.831  -0.972   9.617
  138   2HB   SER  19          2HB       SER  19   4.524  -0.474  10.700
  139    HG   SER  19           HG       SER  19   4.948  -3.036   9.511
  140    H    SER  20           H        SER  20   2.597   1.400   9.436
  141    HA   SER  20           HA       SER  20   0.046   0.156  10.007
  142   1HB   SER  20          1HB       SER  20   1.138   2.351  10.899
  143   2HB   SER  20          2HB       SER  20   0.404   3.106   9.473
  144    HG   SER  20           HG       SER  20  -0.728   2.859  11.671
  145    H    ILE  21           H        ILE  21   1.468   0.905   6.980
  146    HA   ILE  21           HA       ILE  21  -1.081   0.953   5.476
  147    HB   ILE  21           HB       ILE  21   1.703   0.212   4.463
  148   1HG1  ILE  21          1HG1      ILE  21   0.258   2.889   4.457
  149   2HG1  ILE  21          2HG1      ILE  21   1.736   2.496   5.309
  150   1HG2  ILE  21          1HG2      ILE  21  -0.062  -0.718   3.125
  151   2HG2  ILE  21          2HG2      ILE  21  -0.884   0.854   3.021
  152   3HG2  ILE  21          3HG2      ILE  21   0.695   0.591   2.247
  153   1HD1  ILE  21          1HD1      ILE  21   2.877   2.111   3.114
  154   2HD1  ILE  21          2HD1      ILE  21   1.407   2.744   2.318
  155   3HD1  ILE  21          3HD1      ILE  21   2.332   3.776   3.413
  156    H    GLU  22           H        GLU  22   1.531  -1.504   5.645
  157    HA   GLU  22           HA       GLU  22   0.279  -3.733   4.814
  158   1HB   GLU  22          1HB       GLU  22   2.031  -3.716   7.312
  159   2HB   GLU  22          2HB       GLU  22   1.798  -5.058   6.207
  160   1HG   GLU  22          1HG       GLU  22   3.180  -2.445   5.441
  161   2HG   GLU  22          2HG       GLU  22   4.003  -3.850   6.101
  162    H    ARG  23           H        ARG  23   0.280  -2.750   8.250
  163    HA   ARG  23           HA       ARG  23  -1.429  -4.856   9.100
  164   1HB   ARG  23          1HB       ARG  23   0.307  -3.356  10.397
  165   2HB   ARG  23          2HB       ARG  23  -1.034  -2.226  10.581
  166   1HG   ARG  23          1HG       ARG  23  -1.012  -3.559  12.553
  167   2HG   ARG  23          2HG       ARG  23  -2.364  -4.178  11.598
  168   1HD   ARG  23          1HD       ARG  23  -0.710  -5.953  10.683
  169   2HD   ARG  23          2HD       ARG  23   0.439  -5.388  11.887
  170    HE   ARG  23           HE       ARG  23  -1.856  -7.102  12.253
  171   1HH1  ARG  23          1HH1      ARG  23   0.087  -4.752  14.022
  172   2HH1  ARG  23          2HH1      ARG  23  -0.324  -5.426  15.574
  173   1HH2  ARG  23          1HH2      ARG  23  -2.338  -7.946  14.267
  174   2HH2  ARG  23          2HH2      ARG  23  -1.683  -7.218  15.700
  175    H    ALA  24           H        ALA  24  -2.264  -1.797   7.682
  176    HA   ALA  24           HA       ALA  24  -5.060  -1.928   8.643
  177   1HB   ALA  24          1HB       ALA  24  -4.055   0.305   8.435
  178   2HB   ALA  24          2HB       ALA  24  -3.661  -0.003   6.726
  179   3HB   ALA  24          3HB       ALA  24  -5.354   0.107   7.238
  180    H    ILE  25           H        ILE  25  -3.113  -2.349   5.676
  181    HA   ILE  25           HA       ILE  25  -5.237  -2.939   3.846
  182    HB   ILE  25           HB       ILE  25  -2.260  -3.523   3.801
  183   1HG1  ILE  25          1HG1      ILE  25  -4.121  -1.513   2.448
  184   2HG1  ILE  25          2HG1      ILE  25  -2.796  -1.175   3.556
  185   1HG2  ILE  25          1HG2      ILE  25  -4.234  -3.994   1.521
  186   2HG2  ILE  25          2HG2      ILE  25  -2.464  -4.243   1.512
  187   3HG2  ILE  25          3HG2      ILE  25  -3.471  -5.282   2.465
  188   1HD1  ILE  25          1HD1      ILE  25  -2.050  -0.570   1.364
  189   2HD1  ILE  25          2HD1      ILE  25  -1.217  -2.094   1.751
  190   3HD1  ILE  25          3HD1      ILE  25  -2.620  -2.080   0.660
  191    H    ALA  26           H        ALA  26  -3.403  -4.958   6.043
  192    HA   ALA  26           HA       ALA  26  -4.222  -7.512   5.425
  193   1HB   ALA  26          1HB       ALA  26  -3.967  -7.971   7.847
  194   2HB   ALA  26          2HB       ALA  26  -2.688  -6.905   7.241
  195   3HB   ALA  26          3HB       ALA  26  -4.035  -6.225   8.187
  196    H    LYS  27           H        LYS  27  -6.569  -5.051   6.476
  197    HA   LYS  27           HA       LYS  27  -8.648  -7.159   6.697
  198   1HB   LYS  27          1HB       LYS  27  -8.579  -4.180   7.345
  199   2HB   LYS  27          2HB       LYS  27 -10.003  -5.209   7.477
  200   1HG   LYS  27          1HG       LYS  27  -9.264  -5.283   9.582
  201   2HG   LYS  27          2HG       LYS  27  -8.592  -6.773   8.971
  202   1HD   LYS  27          1HD       LYS  27  -7.027  -5.727  10.449
  203   2HD   LYS  27          2HD       LYS  27  -6.348  -5.627   8.850
  204   1HE   LYS  27          1HE       LYS  27  -6.005  -3.527  10.030
  205   2HE   LYS  27          2HE       LYS  27  -7.052  -3.283   8.629
  206   1HZ   LYS  27          1HZ       LYS  27  -8.954  -3.266  10.080
  207   2HZ   LYS  27          2HZ       LYS  27  -8.044  -3.574  11.409
  208   3HZ   LYS  27          3HZ       LYS  27  -7.882  -2.140  10.610
  209    H    VAL  28           H        VAL  28  -7.402  -5.423   4.081
  210    HA   VAL  28           HA       VAL  28  -9.869  -4.272   3.056
  211    HB   VAL  28           HB       VAL  28  -7.138  -4.727   1.815
  212   1HG1  VAL  28          1HG1      VAL  28  -8.799  -4.659  -0.051
  213   2HG1  VAL  28          2HG1      VAL  28  -9.393  -3.097   0.564
  214   3HG1  VAL  28          3HG1      VAL  28  -7.734  -3.251  -0.029
  215   1HG2  VAL  28          1HG2      VAL  28  -7.362  -3.031   3.667
  216   2HG2  VAL  28          2HG2      VAL  28  -6.917  -2.294   2.117
  217   3HG2  VAL  28          3HG2      VAL  28  -8.588  -2.197   2.718
  218    HA   PRO  29           HA       PRO  29 -11.707  -7.928   1.664
  219   1HB   PRO  29          1HB       PRO  29 -13.330  -7.092  -0.455
  220   2HB   PRO  29          2HB       PRO  29 -13.699  -6.905   1.288
  221   1HG   PRO  29          1HG       PRO  29 -12.415  -4.885  -0.576
  222   2HG   PRO  29          2HG       PRO  29 -13.754  -4.624   0.593
  223   1HD   PRO  29          1HD       PRO  29 -11.247  -3.948   1.252
  224   2HD   PRO  29          2HD       PRO  29 -12.261  -4.794   2.454
  225    H    GLY  30           H        GLY  30 -10.823  -9.583   0.607
  226   1HA   GLY  30          1HA       GLY  30  -9.814 -10.814  -1.093
  227   2HA   GLY  30          2HA       GLY  30  -9.945  -9.416  -2.177
  228    H    VAL  31           H        VAL  31  -8.340  -8.465   0.682
  229    HA   VAL  31           HA       VAL  31  -5.643  -8.355  -0.311
  230    HB   VAL  31           HB       VAL  31  -6.390  -7.126   1.649
  231   1HG1  VAL  31          1HG1      VAL  31  -7.603  -9.093   2.815
  232   2HG1  VAL  31          2HG1      VAL  31  -5.996  -9.642   3.317
  233   3HG1  VAL  31          3HG1      VAL  31  -6.589  -8.049   3.819
  234   1HG2  VAL  31          1HG2      VAL  31  -4.262  -7.417   2.891
  235   2HG2  VAL  31          2HG2      VAL  31  -3.964  -8.938   2.046
  236   3HG2  VAL  31          3HG2      VAL  31  -4.012  -7.414   1.134
  237    H    GLN  32           H        GLN  32  -4.345  -9.855  -0.847
  238    HA   GLN  32           HA       GLN  32  -4.443 -12.530   0.530
  239   1HB   GLN  32          1HB       GLN  32  -3.989 -13.637  -1.581
  240   2HB   GLN  32          2HB       GLN  32  -5.456 -12.678  -1.667
  241   1HG   GLN  32          1HG       GLN  32  -4.633 -11.938  -3.629
  242   2HG   GLN  32          2HG       GLN  32  -3.737 -10.836  -2.649
  243   1HE2  GLN  32          1HE2      GLN  32  -1.715 -12.995  -1.673
  244   2HE2  GLN  32          2HE2      GLN  32  -0.707 -13.107  -3.108
  245    H    SER  33           H        SER  33  -2.353  -9.864  -0.489
  246    HA   SER  33           HA       SER  33  -0.531 -10.618   1.515
  247   1HB   SER  33          1HB       SER  33   0.319 -11.321  -1.303
  248   2HB   SER  33          2HB       SER  33   1.506 -10.711  -0.144
  249    HG   SER  33           HG       SER  33  -0.266 -12.807   0.508
  250    H    CYS  34           H        CYS  34   0.771  -8.955   2.048
  251    HA   CYS  34           HA       CYS  34   0.824  -6.499   0.374
  252   1HB   CYS  34          1HB       CYS  34   1.172  -6.336   3.346
  253   2HB   CYS  34          2HB       CYS  34   0.440  -5.184   2.253
  254    HG   CYS  34           HG       CYS  34  -1.231  -6.002   4.136
  255    H    GLN  35           H        GLN  35   2.928  -5.558   0.232
  256    HA   GLN  35           HA       GLN  35   5.036  -6.280   2.076
  257   1HB   GLN  35          1HB       GLN  35   4.750  -7.808  -0.320
  258   2HB   GLN  35          2HB       GLN  35   5.964  -6.617  -0.701
  259   1HG   GLN  35          1HG       GLN  35   7.159  -8.365   0.015
  260   2HG   GLN  35          2HG       GLN  35   7.204  -7.299   1.420
  261   1HE2  GLN  35          1HE2      GLN  35   4.748  -9.737   0.309
  262   2HE2  GLN  35          2HE2      GLN  35   4.810 -10.659   1.788
  263    H    VAL  36           H        VAL  36   5.584  -4.216   2.564
  264    HA   VAL  36           HA       VAL  36   6.222  -2.272   0.395
  265    HB   VAL  36           HB       VAL  36   4.530  -1.634   2.139
  266   1HG1  VAL  36          1HG1      VAL  36   6.903  -1.228   4.017
  267   2HG1  VAL  36          2HG1      VAL  36   5.191  -0.901   4.334
  268   3HG1  VAL  36          3HG1      VAL  36   5.759  -2.571   4.172
  269   1HG2  VAL  36          1HG2      VAL  36   5.320   0.655   2.347
  270   2HG2  VAL  36          2HG2      VAL  36   6.986   0.157   2.000
  271   3HG2  VAL  36          3HG2      VAL  36   5.736   0.022   0.747
  272    H    ASN  37           H        ASN  37   8.184  -1.385   0.139
  273    HA   ASN  37           HA       ASN  37  10.450  -2.602   1.665
  274   1HB   ASN  37          1HB       ASN  37  10.144  -3.212  -0.697
  275   2HB   ASN  37          2HB       ASN  37  10.356  -1.524  -1.173
  276   1HD2  ASN  37          1HD2      ASN  37  11.940  -4.155  -1.583
  277   2HD2  ASN  37          2HD2      ASN  37  13.589  -3.693  -1.140
  278    H    PHE  38           H        PHE  38  10.722  -1.169   3.290
  279    HA   PHE  38           HA       PHE  38  10.857   1.682   2.949
  280   1HB   PHE  38          1HB       PHE  38  10.109   0.211   4.977
  281   2HB   PHE  38          2HB       PHE  38  11.820   0.161   5.384
  282    HD1  PHE  38           HD1      PHE  38   8.844   2.305   4.890
  283    HD2  PHE  38           HD2      PHE  38  12.913   2.196   6.293
  284    HE1  PHE  38           HE1      PHE  38   8.611   4.633   5.699
  285    HE2  PHE  38           HE2      PHE  38  12.674   4.500   7.159
  286    HZ   PHE  38           HZ       PHE  38  10.562   5.734   6.844
  287    H    ALA  39           H        ALA  39  12.624   0.789   1.110
  288    HA   ALA  39           HA       ALA  39  15.076   2.174   1.849
  289   1HB   ALA  39          1HB       ALA  39  16.591   0.262   1.379
  290   2HB   ALA  39          2HB       ALA  39  15.579  -0.049   2.796
  291   3HB   ALA  39          3HB       ALA  39  15.190  -0.823   1.246
  292    H    LEU  40           H        LEU  40  13.377   0.138  -0.626
  293    HA   LEU  40           HA       LEU  40  14.520   1.823  -2.755
  294   1HB   LEU  40          1HB       LEU  40  15.573  -0.273  -2.739
  295   2HB   LEU  40          2HB       LEU  40  14.131  -1.124  -2.217
  296    HG   LEU  40           HG       LEU  40  13.136  -0.926  -4.316
  297   1HD1  LEU  40          1HD1      LEU  40  15.792   0.237  -5.332
  298   2HD1  LEU  40          2HD1      LEU  40  14.416  -0.217  -6.362
  299   3HD1  LEU  40          3HD1      LEU  40  14.274   1.144  -5.241
  300   1HD2  LEU  40          1HD2      LEU  40  14.557  -2.566  -5.514
  301   2HD2  LEU  40          2HD2      LEU  40  15.908  -2.152  -4.437
  302   3HD2  LEU  40          3HD2      LEU  40  14.439  -2.907  -3.780
  303    H    GLU  41           H        GLU  41  12.093   2.230  -1.117
  304    HA   GLU  41           HA       GLU  41  10.090   3.186  -1.327
  305   1HB   GLU  41          1HB       GLU  41  11.106   3.504  -4.167
  306   2HB   GLU  41          2HB       GLU  41   9.491   4.018  -3.719
  307   1HG   GLU  41          1HG       GLU  41  10.613   5.351  -1.813
  308   2HG   GLU  41          2HG       GLU  41  12.096   5.157  -2.766
  309    H    GLN  42           H        GLN  42  10.336   0.211  -3.190
  310    HA   GLN  42           HA       GLN  42   7.796   0.511  -4.332
  311   1HB   GLN  42          1HB       GLN  42   7.642  -1.647  -5.002
  312   2HB   GLN  42          2HB       GLN  42   9.295  -1.218  -5.167
  313   1HG   GLN  42          1HG       GLN  42   8.469  -2.670  -2.569
  314   2HG   GLN  42          2HG       GLN  42   8.187  -3.537  -4.045
  315   1HE2  GLN  42          1HE2      GLN  42  11.007  -1.713  -4.671
  316   2HE2  GLN  42          2HE2      GLN  42  12.121  -2.980  -4.151
  317    H    ALA  43           H        ALA  43   5.819  -0.461  -4.020
  318    HA   ALA  43           HA       ALA  43   5.439  -2.140  -1.646
  319   1HB   ALA  43          1HB       ALA  43   4.263  -0.012  -1.093
  320   2HB   ALA  43          2HB       ALA  43   3.332  -0.148  -2.600
  321   3HB   ALA  43          3HB       ALA  43   3.132  -1.357  -1.313
  322    H    VAL  44           H        VAL  44   4.211  -3.892  -2.027
  323    HA   VAL  44           HA       VAL  44   2.826  -4.112  -4.641
  324    HB   VAL  44           HB       VAL  44   4.839  -5.322  -5.104
  325   1HG1  VAL  44          1HG1      VAL  44   5.602  -5.940  -2.861
  326   2HG1  VAL  44          2HG1      VAL  44   4.291  -7.141  -2.725
  327   3HG1  VAL  44          3HG1      VAL  44   5.565  -7.336  -3.940
  328   1HG2  VAL  44          1HG2      VAL  44   2.607  -7.347  -4.664
  329   2HG2  VAL  44          2HG2      VAL  44   2.691  -6.188  -6.008
  330   3HG2  VAL  44          3HG2      VAL  44   3.933  -7.436  -5.837
  331    H    VAL  45           H        VAL  45   0.825  -4.761  -4.504
  332    HA   VAL  45           HA       VAL  45   0.049  -6.595  -2.323
  333    HB   VAL  45           HB       VAL  45  -1.742  -4.225  -2.702
  334   1HG1  VAL  45          1HG1      VAL  45  -1.313  -5.867  -0.181
  335   2HG1  VAL  45          2HG1      VAL  45  -2.658  -4.792  -0.586
  336   3HG1  VAL  45          3HG1      VAL  45  -2.485  -6.327  -1.423
  337   1HG2  VAL  45          1HG2      VAL  45  -0.880  -3.072  -0.734
  338   2HG2  VAL  45          2HG2      VAL  45   0.467  -4.218  -0.627
  339   3HG2  VAL  45          3HG2      VAL  45   0.319  -3.118  -2.023
  340    H    SER  46           H        SER  46  -1.778  -7.772  -2.700
  341    HA   SER  46           HA       SER  46  -3.450  -7.175  -5.072
  342   1HB   SER  46          1HB       SER  46  -2.543  -8.893  -6.106
  343   2HB   SER  46          2HB       SER  46  -1.938  -9.699  -4.706
  344    HG   SER  46           HG       SER  46  -3.499 -10.999  -5.261
  345    H    TYR  47           H        TYR  47  -5.442  -6.909  -4.481
  346    HA   TYR  47           HA       TYR  47  -6.439  -7.493  -1.835
  347   1HB   TYR  47          1HB       TYR  47  -6.191  -5.267  -0.912
  348   2HB   TYR  47          2HB       TYR  47  -4.700  -6.108  -1.122
  349    HD1  TYR  47           HD1      TYR  47  -4.417  -5.197  -4.267
  350    HD2  TYR  47           HD2      TYR  47  -5.068  -3.195  -0.510
  351    HE1  TYR  47           HE1      TYR  47  -3.203  -3.255  -5.116
  352    HE2  TYR  47           HE2      TYR  47  -3.748  -1.260  -1.342
  353    HH   TYR  47           HH       TYR  47  -2.257  -1.214  -4.587
  354    H    HIS  48           H        HIS  48  -7.793  -8.049  -3.920
  355    HA   HIS  48           HA       HIS  48 -10.124  -6.249  -3.797
  356   1HB   HIS  48          1HB       HIS  48  -9.187  -7.037  -6.555
  357   2HB   HIS  48          2HB       HIS  48 -10.248  -5.731  -6.075
  358    HD2  HIS  48           HD2      HIS  48  -6.502  -6.716  -6.079
  359    HE1  HIS  48           HE1      HIS  48  -6.669  -2.469  -5.861
  360    HE2  HIS  48           HE2      HIS  48  -5.135  -4.478  -6.238
  361    H    GLY  49           H        GLY  49 -12.042  -7.214  -4.356
  362   1HA   GLY  49          1HA       GLY  49 -12.095 -10.000  -5.475
  363   2HA   GLY  49          2HA       GLY  49 -13.486  -9.112  -4.815
  364    H    GLU  50           H        GLU  50 -14.715  -9.106  -6.516
  365    HA   GLU  50           HA       GLU  50 -14.016  -8.320  -9.228
  366   1HB   GLU  50          1HB       GLU  50 -16.446  -8.654  -9.617
  367   2HB   GLU  50          2HB       GLU  50 -15.646 -10.043  -8.918
  368   1HG   GLU  50          1HG       GLU  50 -17.227  -8.071  -7.209
  369   2HG   GLU  50          2HG       GLU  50 -17.974  -9.444  -8.025
  370    H    THR  51           H        THR  51 -13.648  -6.301  -7.016
  371    HA   THR  51           HA       THR  51 -15.070  -3.969  -8.090
  372    HB   THR  51           HB       THR  51 -16.887  -4.856  -6.918
  373    HG1  THR  51           HG1      THR  51 -15.507  -2.954  -5.384
  374   1HG2  THR  51          1HG2      THR  51 -16.855  -5.342  -4.476
  375   2HG2  THR  51          2HG2      THR  51 -15.910  -6.499  -5.415
  376   3HG2  THR  51          3HG2      THR  51 -15.082  -5.232  -4.483
  377    H    THR  52           H        THR  52 -12.614  -3.838  -8.325
  378    HA   THR  52           HA       THR  52 -10.758  -3.198  -6.356
  379    HB   THR  52           HB       THR  52 -11.179  -2.167  -9.171
  380    HG1  THR  52           HG1      THR  52  -9.328  -3.937  -7.965
  381   1HG2  THR  52          1HG2      THR  52  -8.737  -1.799  -7.389
  382   2HG2  THR  52          2HG2      THR  52  -8.754  -1.586  -9.152
  383   3HG2  THR  52          3HG2      THR  52  -9.710  -0.509  -8.126
  384    HA   PRO  53           HA       PRO  53 -12.821   0.600  -4.947
  385   1HB   PRO  53          1HB       PRO  53 -12.208   0.499  -2.330
  386   2HB   PRO  53          2HB       PRO  53 -13.196  -0.799  -3.070
  387   1HG   PRO  53          1HG       PRO  53 -10.199  -0.826  -2.528
  388   2HG   PRO  53          2HG       PRO  53 -11.411  -2.074  -2.095
  389   1HD   PRO  53          1HD       PRO  53  -9.852  -2.123  -4.395
  390   2HD   PRO  53          2HD       PRO  53 -11.454  -2.896  -4.260
  391    H    GLN  54           H        GLN  54 -12.202   2.767  -4.079
  392    HA   GLN  54           HA       GLN  54  -9.598   3.768  -4.690
  393   1HB   GLN  54          1HB       GLN  54 -10.182   5.749  -3.753
  394   2HB   GLN  54          2HB       GLN  54 -11.681   5.126  -4.426
  395   1HG   GLN  54          1HG       GLN  54 -12.512   4.592  -2.177
  396   2HG   GLN  54          2HG       GLN  54 -10.934   4.960  -1.456
  397   1HE2  GLN  54          1HE2      GLN  54 -10.763   7.041  -0.535
  398   2HE2  GLN  54          2HE2      GLN  54 -11.581   8.397  -1.294
  399    H    ILE  55           H        ILE  55 -10.635   1.975  -1.943
  400    HA   ILE  55           HA       ILE  55  -8.849   2.807   0.081
  401    HB   ILE  55           HB       ILE  55 -10.049   0.072  -0.406
  402   1HG1  ILE  55          1HG1      ILE  55 -11.097   2.362   1.326
  403   2HG1  ILE  55          2HG1      ILE  55 -11.725   1.974  -0.271
  404   1HG2  ILE  55          1HG2      ILE  55  -9.755  -0.237   2.059
  405   2HG2  ILE  55          2HG2      ILE  55  -8.220  -0.054   1.237
  406   3HG2  ILE  55          3HG2      ILE  55  -8.902   1.320   2.134
  407   1HD1  ILE  55          1HD1      ILE  55 -11.926   0.217   2.188
  408   2HD1  ILE  55          2HD1      ILE  55 -13.220   1.023   1.298
  409   3HD1  ILE  55          3HD1      ILE  55 -12.340  -0.319   0.539
  410    H    LEU  56           H        LEU  56  -8.222   0.884  -2.756
  411    HA   LEU  56           HA       LEU  56  -5.741  -0.284  -2.012
  412   1HB   LEU  56          1HB       LEU  56  -5.521  -0.844  -4.241
  413   2HB   LEU  56          2HB       LEU  56  -7.242  -0.639  -4.114
  414    HG   LEU  56           HG       LEU  56  -6.735   1.816  -5.029
  415   1HD1  LEU  56          1HD1      LEU  56  -4.203   1.632  -4.991
  416   2HD1  LEU  56          2HD1      LEU  56  -4.310   0.230  -6.059
  417   3HD1  LEU  56          3HD1      LEU  56  -4.816   1.830  -6.630
  418   1HD2  LEU  56          1HD2      LEU  56  -7.033   1.051  -7.298
  419   2HD2  LEU  56          2HD2      LEU  56  -6.464  -0.577  -6.886
  420   3HD2  LEU  56          3HD2      LEU  56  -7.996   0.036  -6.222
  421    H    THR  57           H        THR  57  -6.522   2.940  -3.192
  422    HA   THR  57           HA       THR  57  -3.717   3.893  -3.107
  423    HB   THR  57           HB       THR  57  -6.311   5.373  -3.772
  424    HG1  THR  57           HG1      THR  57  -4.368   4.201  -5.453
  425   1HG2  THR  57          1HG2      THR  57  -3.373   6.039  -4.300
  426   2HG2  THR  57          2HG2      THR  57  -4.756   6.897  -5.022
  427   3HG2  THR  57          3HG2      THR  57  -4.500   6.944  -3.276
  428    H    ASP  58           H        ASP  58  -6.819   4.522  -1.502
  429    HA   ASP  58           HA       ASP  58  -6.257   6.543   0.277
  430   1HB   ASP  58          1HB       ASP  58  -8.314   4.848  -0.224
  431   2HB   ASP  58          2HB       ASP  58  -7.774   4.167   1.308
  432    H    ALA  59           H        ALA  59  -5.479   3.065   0.706
  433    HA   ALA  59           HA       ALA  59  -4.271   3.334   3.237
  434   1HB   ALA  59          1HB       ALA  59  -3.381   1.053   2.759
  435   2HB   ALA  59          2HB       ALA  59  -5.088   1.199   2.296
  436   3HB   ALA  59          3HB       ALA  59  -3.826   1.251   1.047
  437    H    VAL  60           H        VAL  60  -2.910   4.467   0.333
  438    HA   VAL  60           HA       VAL  60  -0.182   4.657   1.579
  439    HB   VAL  60           HB       VAL  60  -1.123   5.641  -1.162
  440   1HG1  VAL  60          1HG1      VAL  60   1.621   5.307   0.083
  441   2HG1  VAL  60          2HG1      VAL  60   1.356   5.577  -1.656
  442   3HG1  VAL  60          3HG1      VAL  60   0.861   6.809  -0.497
  443   1HG2  VAL  60          1HG2      VAL  60   0.064   3.662  -2.103
  444   2HG2  VAL  60          2HG2      VAL  60   0.275   3.029  -0.451
  445   3HG2  VAL  60          3HG2      VAL  60  -1.347   3.205  -1.155
  446    H    GLU  61           H        GLU  61  -3.034   6.567   0.753
  447    HA   GLU  61           HA       GLU  61  -1.816   9.173   1.055
  448   1HB   GLU  61          1HB       GLU  61  -4.735   8.370   1.348
  449   2HB   GLU  61          2HB       GLU  61  -4.128   9.995   1.076
  450   1HG   GLU  61          1HG       GLU  61  -3.850   7.682  -0.906
  451   2HG   GLU  61          2HG       GLU  61  -5.143   8.863  -0.927
  452    H    ARG  62           H        ARG  62  -3.796   7.095   3.178
  453    HA   ARG  62           HA       ARG  62  -3.874   8.430   5.581
  454   1HB   ARG  62          1HB       ARG  62  -4.262   6.247   6.574
  455   2HB   ARG  62          2HB       ARG  62  -4.947   6.267   4.972
  456   1HG   ARG  62          1HG       ARG  62  -3.945   4.190   5.106
  457   2HG   ARG  62          2HG       ARG  62  -2.845   5.166   4.145
  458   1HD   ARG  62          1HD       ARG  62  -1.394   3.899   5.369
  459   2HD   ARG  62          2HD       ARG  62  -1.403   5.292   6.394
  460    HE   ARG  62           HE       ARG  62  -2.284   2.650   7.002
  461   1HH1  ARG  62          1HH1      ARG  62  -2.646   6.030   8.060
  462   2HH1  ARG  62          2HH1      ARG  62  -3.337   5.536   9.576
  463   1HH2  ARG  62          1HH2      ARG  62  -2.916   2.132   8.918
  464   2HH2  ARG  62          2HH2      ARG  62  -3.456   3.308  10.094
  465    H    ALA  63           H        ALA  63  -0.916   7.396   4.161
  466    HA   ALA  63           HA       ALA  63   0.482   7.129   6.789
  467   1HB   ALA  63          1HB       ALA  63   1.369   6.418   3.953
  468   2HB   ALA  63          2HB       ALA  63   2.246   6.057   5.449
  469   3HB   ALA  63          3HB       ALA  63   0.689   5.275   5.127
  470    H    GLY  64           H        GLY  64  -0.051   9.475   4.359
  471   1HA   GLY  64          1HA       GLY  64   0.793  11.685   4.377
  472   2HA   GLY  64          2HA       GLY  64   2.275  11.133   5.213
  473    H    TYR  65           H        TYR  65   1.402   8.941   2.763
  474    HA   TYR  65           HA       TYR  65   3.605   9.986   1.069
  475   1HB   TYR  65          1HB       TYR  65   2.420   7.210   1.202
  476   2HB   TYR  65          2HB       TYR  65   3.900   7.668   0.370
  477    HD1  TYR  65           HD1      TYR  65   3.611   5.402   2.285
  478    HD2  TYR  65           HD2      TYR  65   4.776   9.502   2.943
  479    HE1  TYR  65           HE1      TYR  65   4.819   4.726   4.346
  480    HE2  TYR  65           HE2      TYR  65   5.912   8.856   5.024
  481    HH   TYR  65           HH       TYR  65   6.088   5.475   6.157
  482    H    HIS  66           H        HIS  66   3.303   8.971  -1.324
  483    HA   HIS  66           HA       HIS  66   0.463   9.058  -2.195
  484   1HB   HIS  66          1HB       HIS  66   2.672  10.838  -3.261
  485   2HB   HIS  66          2HB       HIS  66   1.471  10.225  -4.378
  486    HD1  HIS  66           HD1      HIS  66   1.570  12.376  -1.187
  487    HD2  HIS  66           HD2      HIS  66  -1.114  10.689  -3.893
  488    HE1  HIS  66           HE1      HIS  66  -0.765  13.119  -0.479
  489    HE2  HIS  66           HE2      HIS  66  -2.355  11.973  -2.104
  490    H    ALA  67           H        ALA  67  -0.044   7.801  -3.930
  491    HA   ALA  67           HA       ALA  67   1.595   5.428  -4.218
  492   1HB   ALA  67          1HB       ALA  67  -0.299   4.808  -5.811
  493   2HB   ALA  67          2HB       ALA  67  -0.846   5.313  -4.197
  494   3HB   ALA  67          3HB       ALA  67  -0.963   6.428  -5.581
  495    H    ARG  68           H        ARG  68   3.564   5.786  -5.204
  496    HA   ARG  68           HA       ARG  68   3.806   7.602  -7.496
  497   1HB   ARG  68          1HB       ARG  68   5.509   7.689  -5.796
  498   2HB   ARG  68          2HB       ARG  68   5.767   5.977  -5.904
  499   1HG   ARG  68          1HG       ARG  68   7.629   6.937  -6.924
  500   2HG   ARG  68          2HG       ARG  68   6.673   6.199  -8.195
  501   1HD   ARG  68          1HD       ARG  68   5.610   8.784  -8.029
  502   2HD   ARG  68          2HD       ARG  68   7.320   9.046  -7.644
  503    HE   ARG  68           HE       ARG  68   7.107   7.450  -9.994
  504   1HH1  ARG  68          1HH1      ARG  68   6.420  10.765  -8.854
  505   2HH1  ARG  68          2HH1      ARG  68   6.558  11.451 -10.437
  506   1HH2  ARG  68          1HH2      ARG  68   7.283   8.402 -12.013
  507   2HH2  ARG  68          2HH2      ARG  68   7.069  10.124 -12.218
  508    H    VAL  69           H        VAL  69   3.672   6.960  -9.478
  509    HA   VAL  69           HA       VAL  69   3.588   4.207 -10.328
  510    HB   VAL  69           HB       VAL  69   3.684   5.362 -12.619
  511   1HG1  VAL  69          1HG1      VAL  69   1.397   6.065 -10.743
  512   2HG1  VAL  69          2HG1      VAL  69   1.307   6.005 -12.517
  513   3HG1  VAL  69          3HG1      VAL  69   1.605   4.520 -11.598
  514   1HG2  VAL  69          1HG2      VAL  69   3.124   7.711 -12.801
  515   2HG2  VAL  69          2HG2      VAL  69   3.180   7.908 -11.042
  516   3HG2  VAL  69          3HG2      VAL  69   4.662   7.536 -11.951
  517    H    LEU  70           H        LEU  70   5.003   2.923 -11.046
  518    HA   LEU  70           HA       LEU  70   7.782   3.857 -11.574
  519   1HB   LEU  70          1HB       LEU  70   8.634   1.887 -10.752
  520   2HB   LEU  70          2HB       LEU  70   7.486   2.436  -9.571
  521    HG   LEU  70           HG       LEU  70   5.871   0.656 -10.461
  522   1HD1  LEU  70          1HD1      LEU  70   8.402  -0.323 -11.868
  523   2HD1  LEU  70          2HD1      LEU  70   7.021  -1.369 -11.480
  524   3HD1  LEU  70          3HD1      LEU  70   6.806  -0.044 -12.602
  525   1HD2  LEU  70          1HD2      LEU  70   7.284   0.487  -8.369
  526   2HD2  LEU  70          2HD2      LEU  70   6.952  -1.084  -9.112
  527   3HD2  LEU  70          3HD2      LEU  70   8.540  -0.311  -9.320
  528    H    LYS  71           H        LYS  71   8.898   2.837 -13.309
  529    HA   LYS  71           HA       LYS  71   7.904   0.829 -14.926
  530   1HB   LYS  71          1HB       LYS  71   6.450   3.160 -15.595
  531   2HB   LYS  71          2HB       LYS  71   7.715   3.113 -16.805
  532   1HG   LYS  71          1HG       LYS  71   7.109   0.702 -17.280
  533   2HG   LYS  71          2HG       LYS  71   5.789   0.846 -16.108
  534   1HD   LYS  71          1HD       LYS  71   4.774   2.649 -17.470
  535   2HD   LYS  71          2HD       LYS  71   6.115   2.517 -18.639
  536   1HE   LYS  71          1HE       LYS  71   5.522   0.117 -19.014
  537   2HE   LYS  71          2HE       LYS  71   4.167   0.283 -17.889
  538   1HZ   LYS  71          1HZ       LYS  71   4.471   1.778 -20.430
  539   2HZ   LYS  71          2HZ       LYS  71   3.443   0.521 -20.180
  540   3HZ   LYS  71          3HZ       LYS  71   3.210   1.940 -19.383
  541    H    GLN  72           H        GLN  72   9.030   0.660 -17.094
  542    HA   GLN  72           HA       GLN  72  11.376   2.326 -17.524
  543   1HB   GLN  72          1HB       GLN  72  11.545  -0.526 -16.695
  544   2HB   GLN  72          2HB       GLN  72  12.290  -0.252 -18.257
  545   1HG   GLN  72          1HG       GLN  72  12.936   1.362 -15.747
  546   2HG   GLN  72          2HG       GLN  72  13.864  -0.018 -16.333
  547   1HE2  GLN  72          1HE2      GLN  72  15.560   1.952 -16.203
  548   2HE2  GLN  72          2HE2      GLN  72  15.709   2.798 -17.744
  549    H    GLN  73           H        GLN  73  12.236   1.576 -19.819
  550    HA   GLN  73           HA       GLN  73  10.025   1.686 -21.699
  551   1HB   GLN  73          1HB       GLN  73  11.732   1.605 -23.415
  552   2HB   GLN  73          2HB       GLN  73  12.220   2.735 -22.152
  553   1HG   GLN  73          1HG       GLN  73  13.774   1.035 -21.214
  554   2HG   GLN  73          2HG       GLN  73  13.238  -0.136 -22.421
  555   1HE2  GLN  73          1HE2      GLN  73  15.616  -0.230 -22.973
  556   2HE2  GLN  73          2HE2      GLN  73  16.192   1.030 -24.070
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  -8.998  -9.947  -9.766
    2   2H    MET   1          2H        MET   1 -10.251 -10.694 -10.530
    3   3H    MET   1          3H        MET   1  -8.877 -10.251 -11.345
    4    HA   MET   1           HA       MET   1  -8.799 -12.208  -9.142
    5   1HB   MET   1          1HB       MET   1  -9.086 -12.786 -12.123
    6   2HB   MET   1          2HB       MET   1  -8.625 -13.977 -10.898
    7   1HG   MET   1          1HG       MET   1 -10.770 -13.512  -9.692
    8   2HG   MET   1          2HG       MET   1 -11.278 -12.492 -11.043
    9   1HE   MET   1          1HE       MET   1 -10.411 -14.021 -13.694
   10   2HE   MET   1          2HE       MET   1 -11.839 -15.043 -13.941
   11   3HE   MET   1          3HE       MET   1 -12.042 -13.368 -13.392
   12    H    ALA   2           H        ALA   2  -6.679 -13.325  -9.062
   13    HA   ALA   2           HA       ALA   2  -4.384 -13.132  -8.933
   14   1HB   ALA   2          1HB       ALA   2  -4.753 -12.855 -11.950
   15   2HB   ALA   2          2HB       ALA   2  -3.310 -13.436 -11.110
   16   3HB   ALA   2          3HB       ALA   2  -4.804 -14.385 -11.038
   17    H    GLN   3           H        GLN   3  -5.446 -10.679  -8.200
   18    HA   GLN   3           HA       GLN   3  -4.735  -8.728 -10.274
   19   1HB   GLN   3          1HB       GLN   3  -7.072  -9.250  -9.120
   20   2HB   GLN   3          2HB       GLN   3  -6.485  -8.257  -7.818
   21   1HG   GLN   3          1HG       GLN   3  -7.740  -6.801  -9.222
   22   2HG   GLN   3          2HG       GLN   3  -6.061  -6.428  -9.621
   23   1HE2  GLN   3          1HE2      GLN   3  -5.556  -6.529 -11.863
   24   2HE2  GLN   3          2HE2      GLN   3  -6.539  -7.424 -13.010
   25    H    THR   4           H        THR   4  -2.341  -8.768  -9.576
   26    HA   THR   4           HA       THR   4  -1.917  -7.162  -7.088
   27    HB   THR   4           HB       THR   4  -0.712  -9.276  -7.038
   28    HG1  THR   4           HG1      THR   4   1.336  -8.302  -6.717
   29   1HG2  THR   4          1HG2      THR   4   0.763  -8.251  -9.529
   30   2HG2  THR   4          2HG2      THR   4   1.170  -9.699  -8.580
   31   3HG2  THR   4          3HG2      THR   4  -0.347  -9.638  -9.487
   32    H    ILE   5           H        ILE   5  -0.778  -5.440  -6.954
   33    HA   ILE   5           HA       ILE   5   0.044  -3.976  -9.396
   34    HB   ILE   5           HB       ILE   5  -1.193  -2.727  -6.894
   35   1HG1  ILE   5          1HG1      ILE   5  -2.738  -1.770  -8.886
   36   2HG1  ILE   5          2HG1      ILE   5  -2.290  -3.284  -9.663
   37   1HG2  ILE   5          1HG2      ILE   5  -0.926  -0.589  -8.138
   38   2HG2  ILE   5          2HG2      ILE   5   0.626  -1.342  -7.809
   39   3HG2  ILE   5          3HG2      ILE   5  -0.077  -1.454  -9.438
   40   1HD1  ILE   5          1HD1      ILE   5  -4.437  -3.425  -8.441
   41   2HD1  ILE   5          2HD1      ILE   5  -3.263  -4.521  -7.701
   42   3HD1  ILE   5          3HD1      ILE   5  -3.621  -2.957  -6.936
   43    H    ASN   6           H        ASN   6   2.078  -3.438  -9.316
   44    HA   ASN   6           HA       ASN   6   3.584  -3.323  -6.769
   45   1HB   ASN   6          1HB       ASN   6   5.554  -4.232  -7.930
   46   2HB   ASN   6          2HB       ASN   6   4.239  -5.402  -7.839
   47   1HD2  ASN   6          1HD2      ASN   6   2.809  -5.593  -9.866
   48   2HD2  ASN   6          2HD2      ASN   6   3.601  -5.246 -11.403
   49    H    LEU   7           H        LEU   7   4.501  -1.416  -6.486
   50    HA   LEU   7           HA       LEU   7   5.181   0.408  -8.652
   51   1HB   LEU   7          1HB       LEU   7   3.518   1.950  -8.428
   52   2HB   LEU   7          2HB       LEU   7   2.634   0.463  -8.343
   53    HG   LEU   7           HG       LEU   7   3.269   2.337  -6.006
   54   1HD1  LEU   7          1HD1      LEU   7   0.798   2.514  -5.947
   55   2HD1  LEU   7          2HD1      LEU   7   1.457   3.036  -7.513
   56   3HD1  LEU   7          3HD1      LEU   7   0.676   1.446  -7.355
   57   1HD2  LEU   7          1HD2      LEU   7   3.378   0.059  -5.114
   58   2HD2  LEU   7          2HD2      LEU   7   1.860   0.808  -4.624
   59   3HD2  LEU   7          3HD2      LEU   7   1.870  -0.386  -5.942
   60    H    GLN   8           H        GLN   8   5.566   2.743  -7.354
   61    HA   GLN   8           HA       GLN   8   7.173   2.063  -4.931
   62   1HB   GLN   8          1HB       GLN   8   7.785   3.904  -7.248
   63   2HB   GLN   8          2HB       GLN   8   8.440   4.224  -5.631
   64   1HG   GLN   8          1HG       GLN   8   9.539   2.067  -5.558
   65   2HG   GLN   8          2HG       GLN   8   8.748   1.543  -7.044
   66   1HE2  GLN   8          1HE2      GLN   8  10.716   4.516  -6.030
   67   2HE2  GLN   8          2HE2      GLN   8  11.780   4.302  -7.403
   68    H    LEU   9           H        LEU   9   7.346   3.758  -3.349
   69    HA   LEU   9           HA       LEU   9   4.744   5.181  -3.192
   70   1HB   LEU   9          1HB       LEU   9   5.061   2.833  -2.063
   71   2HB   LEU   9          2HB       LEU   9   6.042   3.695  -0.905
   72    HG   LEU   9           HG       LEU   9   3.949   5.297  -0.702
   73   1HD1  LEU   9          1HD1      LEU   9   2.584   2.801  -1.812
   74   2HD1  LEU   9          2HD1      LEU   9   1.823   4.318  -1.282
   75   3HD1  LEU   9          3HD1      LEU   9   2.817   4.291  -2.738
   76   1HD2  LEU   9          1HD2      LEU   9   2.848   3.790   0.943
   77   2HD2  LEU   9          2HD2      LEU   9   3.809   2.425   0.329
   78   3HD2  LEU   9          3HD2      LEU   9   4.608   3.791   1.131
   79    H    GLU  10           H        GLU  10   4.758   7.139  -2.408
   80    HA   GLU  10           HA       GLU  10   7.397   8.473  -2.373
   81   1HB   GLU  10          1HB       GLU  10   5.955   8.691  -4.319
   82   2HB   GLU  10          2HB       GLU  10   4.601   9.215  -3.332
   83   1HG   GLU  10          1HG       GLU  10   5.644  11.328  -2.847
   84   2HG   GLU  10          2HG       GLU  10   7.180  10.799  -3.560
   85    H    GLY  11           H        GLY  11   7.755  10.359  -1.118
   86   1HA   GLY  11          1HA       GLY  11   7.410  11.919   0.599
   87   2HA   GLY  11          2HA       GLY  11   5.762  11.278   0.851
   88    H    MET  12           H        MET  12   7.202   8.503   0.954
   89    HA   MET  12           HA       MET  12   7.671   7.998   3.674
   90   1HB   MET  12          1HB       MET  12   9.052   6.832   1.219
   91   2HB   MET  12          2HB       MET  12   9.138   6.157   2.852
   92   1HG   MET  12          1HG       MET  12   6.655   5.885   2.856
   93   2HG   MET  12          2HG       MET  12   6.602   6.511   1.206
   94   1HE   MET  12          1HE       MET  12   8.228   2.384   2.448
   95   2HE   MET  12          2HE       MET  12   9.133   3.843   2.908
   96   3HE   MET  12          3HE       MET  12   7.482   3.585   3.530
   97    H    ARG  13           H        ARG  13   9.532   7.878   4.930
   98    HA   ARG  13           HA       ARG  13  12.117   8.890   4.371
   99   1HB   ARG  13          1HB       ARG  13  10.073  10.971   5.117
  100   2HB   ARG  13          2HB       ARG  13  11.577  11.028   6.011
  101   1HG   ARG  13          1HG       ARG  13  12.676  12.022   4.359
  102   2HG   ARG  13          2HG       ARG  13  12.268  10.752   3.226
  103   1HD   ARG  13          1HD       ARG  13  11.457  12.735   2.268
  104   2HD   ARG  13          2HD       ARG  13  10.032  11.890   2.844
  105    HE   ARG  13           HE       ARG  13  11.355  14.232   4.175
  106   1HH1  ARG  13          1HH1      ARG  13   8.318  12.418   3.624
  107   2HH1  ARG  13          2HH1      ARG  13   7.374  13.641   4.396
  108   1HH2  ARG  13          1HH2      ARG  13  10.024  15.797   5.063
  109   2HH2  ARG  13          2HH2      ARG  13   8.312  15.518   5.180
  110    H    CYS  14           H        CYS  14   9.550   8.728   6.847
  111    HA   CYS  14           HA       CYS  14  10.998   6.880   8.474
  112   1HB   CYS  14          1HB       CYS  14  12.074   9.205   9.023
  113   2HB   CYS  14          2HB       CYS  14  10.532   9.579   9.813
  114    HG   CYS  14           HG       CYS  14  12.872   7.321  10.413
  115    H    ALA  15           H        ALA  15   9.679   6.916  10.700
  116    HA   ALA  15           HA       ALA  15   7.814   6.580  11.903
  117   1HB   ALA  15          1HB       ALA  15   6.899   8.699  10.923
  118   2HB   ALA  15          2HB       ALA  15   6.102   7.726   9.666
  119   3HB   ALA  15          3HB       ALA  15   5.667   7.510  11.368
  120    H    ALA  16           H        ALA  16   6.317   4.960  12.261
  121    HA   ALA  16           HA       ALA  16   6.689   2.578  10.689
  122   1HB   ALA  16          1HB       ALA  16   5.365   1.555  12.502
  123   2HB   ALA  16          2HB       ALA  16   6.594   2.639  13.169
  124   3HB   ALA  16          3HB       ALA  16   4.892   3.160  13.093
  125    H    CYS  17           H        CYS  17   4.829   4.994   9.665
  126    HA   CYS  17           HA       CYS  17   2.196   4.120   9.503
  127   1HB   CYS  17          1HB       CYS  17   3.720   5.844   7.493
  128   2HB   CYS  17          2HB       CYS  17   1.981   5.820   7.787
  129    HG   CYS  17           HG       CYS  17   2.966   8.006   8.734
  130    H    ALA  18           H        ALA  18   4.895   3.203   7.380
  131    HA   ALA  18           HA       ALA  18   3.409   2.353   5.113
  132   1HB   ALA  18          1HB       ALA  18   6.144   1.405   6.104
  133   2HB   ALA  18          2HB       ALA  18   5.497   1.230   4.463
  134   3HB   ALA  18          3HB       ALA  18   5.848   2.838   5.098
  135    H    SER  19           H        SER  19   4.926   0.164   7.578
  136    HA   SER  19           HA       SER  19   3.196  -2.014   6.778
  137   1HB   SER  19          1HB       SER  19   4.905  -1.692   9.254
  138   2HB   SER  19          2HB       SER  19   4.022  -3.170   8.799
  139    HG   SER  19           HG       SER  19   5.123  -3.181   6.805
  140    H    SER  20           H        SER  20   2.528   0.740   8.747
  141    HA   SER  20           HA       SER  20   0.137  -0.481   9.921
  142   1HB   SER  20          1HB       SER  20   1.435   1.719  10.629
  143   2HB   SER  20          2HB       SER  20   0.341   2.476   9.458
  144    HG   SER  20           HG       SER  20  -0.205   1.120  11.861
  145    H    ILE  21           H        ILE  21   0.929   0.824   6.733
  146    HA   ILE  21           HA       ILE  21  -1.836   0.805   5.747
  147    HB   ILE  21           HB       ILE  21   0.601   0.230   4.023
  148   1HG1  ILE  21          1HG1      ILE  21  -0.430   3.017   4.693
  149   2HG1  ILE  21          2HG1      ILE  21   1.090   2.341   5.241
  150   1HG2  ILE  21          1HG2      ILE  21  -1.966   1.680   3.333
  151   2HG2  ILE  21          2HG2      ILE  21  -0.778   0.969   2.228
  152   3HG2  ILE  21          3HG2      ILE  21  -1.801  -0.076   3.208
  153   1HD1  ILE  21          1HD1      ILE  21   1.530   3.790   3.382
  154   2HD1  ILE  21          2HD1      ILE  21   1.907   2.115   2.936
  155   3HD1  ILE  21          3HD1      ILE  21   0.421   2.889   2.346
  156    H    GLU  22           H        GLU  22   0.910  -1.539   5.514
  157    HA   GLU  22           HA       GLU  22  -0.491  -3.682   4.406
  158   1HB   GLU  22          1HB       GLU  22   1.713  -3.773   6.488
  159   2HB   GLU  22          2HB       GLU  22   1.218  -5.135   5.487
  160   1HG   GLU  22          1HG       GLU  22   1.878  -3.944   3.442
  161   2HG   GLU  22          2HG       GLU  22   2.293  -2.500   4.370
  162    H    ARG  23           H        ARG  23  -0.138  -3.013   7.925
  163    HA   ARG  23           HA       ARG  23  -1.772  -5.115   8.858
  164   1HB   ARG  23          1HB       ARG  23  -0.124  -3.681  10.119
  165   2HB   ARG  23          2HB       ARG  23  -1.306  -2.380  10.115
  166   1HG   ARG  23          1HG       ARG  23  -1.246  -3.526  12.254
  167   2HG   ARG  23          2HG       ARG  23  -2.830  -3.743  11.511
  168   1HD   ARG  23          1HD       ARG  23  -2.290  -6.027  10.874
  169   2HD   ARG  23          2HD       ARG  23  -0.591  -5.802  11.349
  170    HE   ARG  23           HE       ARG  23  -2.203  -5.219  13.597
  171   1HH1  ARG  23          1HH1      ARG  23  -1.409  -8.090  11.695
  172   2HH1  ARG  23          2HH1      ARG  23  -1.524  -9.152  13.064
  173   1HH2  ARG  23          1HH2      ARG  23  -2.289  -6.641  15.343
  174   2HH2  ARG  23          2HH2      ARG  23  -2.019  -8.336  15.097
  175    H    ALA  24           H        ALA  24  -2.784  -2.098   7.401
  176    HA   ALA  24           HA       ALA  24  -5.604  -2.384   8.294
  177   1HB   ALA  24          1HB       ALA  24  -5.967  -0.335   7.002
  178   2HB   ALA  24          2HB       ALA  24  -4.606  -0.120   8.126
  179   3HB   ALA  24          3HB       ALA  24  -4.304  -0.384   6.397
  180    H    ILE  25           H        ILE  25  -3.620  -2.696   5.365
  181    HA   ILE  25           HA       ILE  25  -5.626  -3.501   3.484
  182    HB   ILE  25           HB       ILE  25  -2.622  -3.685   3.679
  183   1HG1  ILE  25          1HG1      ILE  25  -4.578  -2.336   1.759
  184   2HG1  ILE  25          2HG1      ILE  25  -3.716  -1.554   3.081
  185   1HG2  ILE  25          1HG2      ILE  25  -3.202  -5.800   2.597
  186   2HG2  ILE  25          2HG2      ILE  25  -4.218  -4.938   1.412
  187   3HG2  ILE  25          3HG2      ILE  25  -2.454  -4.701   1.476
  188   1HD1  ILE  25          1HD1      ILE  25  -2.585  -0.987   1.050
  189   2HD1  ILE  25          2HD1      ILE  25  -1.539  -2.148   1.903
  190   3HD1  ILE  25          3HD1      ILE  25  -2.528  -2.665   0.511
  191    H    ALA  26           H        ALA  26  -3.755  -5.300   5.845
  192    HA   ALA  26           HA       ALA  26  -4.427  -7.924   5.288
  193   1HB   ALA  26          1HB       ALA  26  -4.186  -8.303   7.721
  194   2HB   ALA  26          2HB       ALA  26  -2.948  -7.190   7.101
  195   3HB   ALA  26          3HB       ALA  26  -4.340  -6.554   8.011
  196    H    LYS  27           H        LYS  27  -6.877  -5.531   6.260
  197    HA   LYS  27           HA       LYS  27  -8.896  -7.700   6.395
  198   1HB   LYS  27          1HB       LYS  27  -8.949  -4.741   7.119
  199   2HB   LYS  27          2HB       LYS  27 -10.328  -5.830   7.203
  200   1HG   LYS  27          1HG       LYS  27  -9.616  -5.893   9.317
  201   2HG   LYS  27          2HG       LYS  27  -8.921  -7.370   8.693
  202   1HD   LYS  27          1HD       LYS  27  -7.413  -6.289  10.227
  203   2HD   LYS  27          2HD       LYS  27  -6.687  -6.234   8.648
  204   1HE   LYS  27          1HE       LYS  27  -6.372  -4.091   9.764
  205   2HE   LYS  27          2HE       LYS  27  -7.382  -3.901   8.330
  206   1HZ   LYS  27          1HZ       LYS  27  -8.304  -2.680  10.185
  207   2HZ   LYS  27          2HZ       LYS  27  -9.329  -3.893   9.769
  208   3HZ   LYS  27          3HZ       LYS  27  -8.399  -4.038  11.112
  209    H    VAL  28           H        VAL  28  -7.629  -5.929   3.848
  210    HA   VAL  28           HA       VAL  28 -10.093  -4.754   2.795
  211    HB   VAL  28           HB       VAL  28  -7.272  -5.005   1.702
  212   1HG1  VAL  28          1HG1      VAL  28  -9.572  -3.612   0.263
  213   2HG1  VAL  28          2HG1      VAL  28  -7.871  -3.583  -0.194
  214   3HG1  VAL  28          3HG1      VAL  28  -8.766  -5.099  -0.283
  215   1HG2  VAL  28          1HG2      VAL  28  -7.797  -3.320   3.513
  216   2HG2  VAL  28          2HG2      VAL  28  -7.277  -2.569   1.993
  217   3HG2  VAL  28          3HG2      VAL  28  -8.995  -2.590   2.437
  218    HA   PRO  29           HA       PRO  29 -11.755  -8.356   1.057
  219   1HB   PRO  29          1HB       PRO  29 -13.200  -7.390  -1.144
  220   2HB   PRO  29          2HB       PRO  29 -13.738  -7.374   0.561
  221   1HG   PRO  29          1HG       PRO  29 -12.360  -5.159  -0.986
  222   2HG   PRO  29          2HG       PRO  29 -13.804  -5.042   0.075
  223   1HD   PRO  29          1HD       PRO  29 -11.405  -4.358   1.035
  224   2HD   PRO  29          2HD       PRO  29 -12.477  -5.365   2.041
  225    H    GLY  30           H        GLY  30 -10.584  -9.827   0.115
  226   1HA   GLY  30          1HA       GLY  30  -9.477 -10.992  -1.556
  227   2HA   GLY  30          2HA       GLY  30  -9.557  -9.570  -2.619
  228    H    VAL  31           H        VAL  31  -8.130  -8.844   0.473
  229    HA   VAL  31           HA       VAL  31  -5.393  -8.550  -0.431
  230    HB   VAL  31           HB       VAL  31  -6.205  -7.531   1.577
  231   1HG1  VAL  31          1HG1      VAL  31  -6.027 -10.173   3.069
  232   2HG1  VAL  31          2HG1      VAL  31  -6.573  -8.599   3.655
  233   3HG1  VAL  31          3HG1      VAL  31  -7.567  -9.496   2.504
  234   1HG2  VAL  31          1HG2      VAL  31  -4.166  -7.945   2.923
  235   2HG2  VAL  31          2HG2      VAL  31  -3.856  -9.434   2.022
  236   3HG2  VAL  31          3HG2      VAL  31  -3.796  -7.866   1.190
  237    H    GLN  32           H        GLN  32  -4.229 -10.071  -1.281
  238    HA   GLN  32           HA       GLN  32  -4.295 -12.855  -0.133
  239   1HB   GLN  32          1HB       GLN  32  -3.807 -13.738  -2.287
  240   2HB   GLN  32          2HB       GLN  32  -5.167 -12.642  -2.430
  241   1HG   GLN  32          1HG       GLN  32  -4.072 -11.832  -4.221
  242   2HG   GLN  32          2HG       GLN  32  -3.177 -10.896  -3.054
  243   1HE2  GLN  32          1HE2      GLN  32  -1.496 -13.342  -2.097
  244   2HE2  GLN  32          2HE2      GLN  32  -0.415 -13.525  -3.475
  245    H    SER  33           H        SER  33  -2.239 -10.085  -0.773
  246    HA   SER  33           HA       SER  33  -0.511 -10.780   1.282
  247   1HB   SER  33          1HB       SER  33   0.514 -11.631  -1.430
  248   2HB   SER  33          2HB       SER  33   1.635 -10.916  -0.262
  249    HG   SER  33           HG       SER  33  -0.115 -13.069   0.298
  250    H    CYS  34           H        CYS  34   0.774  -9.059   1.840
  251    HA   CYS  34           HA       CYS  34   1.167  -6.836  -0.067
  252   1HB   CYS  34          1HB       CYS  34   0.766  -5.266   1.899
  253   2HB   CYS  34          2HB       CYS  34  -0.678  -6.095   1.316
  254    HG   CYS  34           HG       CYS  34   1.235  -7.110   3.815
  255    H    GLN  35           H        GLN  35   3.196  -6.115  -0.093
  256    HA   GLN  35           HA       GLN  35   4.990  -6.357   2.220
  257   1HB   GLN  35          1HB       GLN  35   5.597  -7.595  -0.506
  258   2HB   GLN  35          2HB       GLN  35   6.844  -7.036   0.590
  259   1HG   GLN  35          1HG       GLN  35   6.854  -9.128   1.347
  260   2HG   GLN  35          2HG       GLN  35   5.515  -8.600   2.344
  261   1HE2  GLN  35          1HE2      GLN  35   3.465  -9.633   1.974
  262   2HE2  GLN  35          2HE2      GLN  35   3.380 -11.025   0.860
  263    H    VAL  36           H        VAL  36   5.721  -4.394   2.511
  264    HA   VAL  36           HA       VAL  36   6.401  -2.595   0.250
  265    HB   VAL  36           HB       VAL  36   4.707  -1.916   2.017
  266   1HG1  VAL  36          1HG1      VAL  36   5.384  -1.123   4.158
  267   2HG1  VAL  36          2HG1      VAL  36   6.095  -2.738   4.014
  268   3HG1  VAL  36          3HG1      VAL  36   7.110  -1.308   3.787
  269   1HG2  VAL  36          1HG2      VAL  36   7.081  -0.038   1.677
  270   2HG2  VAL  36          2HG2      VAL  36   5.768  -0.281   0.505
  271   3HG2  VAL  36          3HG2      VAL  36   5.416   0.406   2.094
  272    H    ASN  37           H        ASN  37   8.358  -1.516   0.138
  273    HA   ASN  37           HA       ASN  37  10.621  -2.638   1.755
  274   1HB   ASN  37          1HB       ASN  37  10.391  -3.451  -0.568
  275   2HB   ASN  37          2HB       ASN  37  10.584  -1.805  -1.171
  276   1HD2  ASN  37          1HD2      ASN  37  12.259  -4.237  -1.585
  277   2HD2  ASN  37          2HD2      ASN  37  13.872  -3.821  -0.979
  278    H    PHE  38           H        PHE  38  10.786  -1.038   3.262
  279    HA   PHE  38           HA       PHE  38  10.847   1.786   2.659
  280   1HB   PHE  38          1HB       PHE  38  10.220   0.317   4.846
  281   2HB   PHE  38          2HB       PHE  38  11.860   0.714   5.275
  282    HD1  PHE  38           HD1      PHE  38   8.454   1.754   5.319
  283    HD2  PHE  38           HD2      PHE  38  12.462   3.346   5.249
  284    HE1  PHE  38           HE1      PHE  38   7.643   3.880   6.310
  285    HE2  PHE  38           HE2      PHE  38  11.640   5.474   6.165
  286    HZ   PHE  38           HZ       PHE  38   9.208   5.747   6.704
  287    H    ALA  39           H        ALA  39  12.815   0.433   1.096
  288    HA   ALA  39           HA       ALA  39  15.182   2.059   1.740
  289   1HB   ALA  39          1HB       ALA  39  16.720   0.127   1.570
  290   2HB   ALA  39          2HB       ALA  39  15.615  -0.059   2.945
  291   3HB   ALA  39          3HB       ALA  39  15.338  -0.984   1.453
  292    H    LEU  40           H        LEU  40  13.446  -0.069  -0.597
  293    HA   LEU  40           HA       LEU  40  14.630   1.497  -2.794
  294   1HB   LEU  40          1HB       LEU  40  15.599  -0.635  -2.753
  295   2HB   LEU  40          2HB       LEU  40  14.142  -1.411  -2.166
  296    HG   LEU  40           HG       LEU  40  13.094  -1.222  -4.246
  297   1HD1  LEU  40          1HD1      LEU  40  15.798  -0.263  -5.355
  298   2HD1  LEU  40          2HD1      LEU  40  14.373  -0.660  -6.341
  299   3HD1  LEU  40          3HD1      LEU  40  14.343   0.742  -5.263
  300   1HD2  LEU  40          1HD2      LEU  40  15.792  -2.617  -4.370
  301   2HD2  LEU  40          2HD2      LEU  40  14.290  -3.263  -3.672
  302   3HD2  LEU  40          3HD2      LEU  40  14.405  -2.985  -5.418
  303    H    GLU  41           H        GLU  41  12.173   1.934  -1.093
  304    HA   GLU  41           HA       GLU  41  10.184   2.934  -1.273
  305   1HB   GLU  41          1HB       GLU  41  11.085   3.278  -4.153
  306   2HB   GLU  41          2HB       GLU  41   9.566   3.919  -3.542
  307   1HG   GLU  41          1HG       GLU  41  10.852   5.176  -1.791
  308   2HG   GLU  41          2HG       GLU  41  12.333   4.738  -2.661
  309    H    GLN  42           H        GLN  42  10.387  -0.060  -3.066
  310    HA   GLN  42           HA       GLN  42   7.837   0.271  -4.245
  311   1HB   GLN  42          1HB       GLN  42   7.771  -1.874  -4.992
  312   2HB   GLN  42          2HB       GLN  42   9.409  -1.351  -5.127
  313   1HG   GLN  42          1HG       GLN  42   8.742  -2.880  -2.563
  314   2HG   GLN  42          2HG       GLN  42   8.351  -3.743  -4.018
  315   1HE2  GLN  42          1HE2      GLN  42  10.932  -2.301  -5.336
  316   2HE2  GLN  42          2HE2      GLN  42  12.162  -3.395  -4.705
  317    H    ALA  43           H        ALA  43   5.830  -0.510  -3.961
  318    HA   ALA  43           HA       ALA  43   5.343  -2.237  -1.596
  319   1HB   ALA  43          1HB       ALA  43   4.113  -0.122  -1.188
  320   2HB   ALA  43          2HB       ALA  43   3.353  -0.246  -2.785
  321   3HB   ALA  43          3HB       ALA  43   2.992  -1.455  -1.531
  322    H    VAL  44           H        VAL  44   4.524  -4.182  -2.134
  323    HA   VAL  44           HA       VAL  44   3.150  -4.416  -4.764
  324    HB   VAL  44           HB       VAL  44   5.196  -5.630  -5.060
  325   1HG1  VAL  44          1HG1      VAL  44   5.790  -6.206  -2.725
  326   2HG1  VAL  44          2HG1      VAL  44   4.491  -7.425  -2.704
  327   3HG1  VAL  44          3HG1      VAL  44   5.859  -7.596  -3.812
  328   1HG2  VAL  44          1HG2      VAL  44   2.915  -7.615  -4.704
  329   2HG2  VAL  44          2HG2      VAL  44   3.088  -6.491  -6.067
  330   3HG2  VAL  44          3HG2      VAL  44   4.304  -7.751  -5.798
  331    H    VAL  45           H        VAL  45   1.096  -4.971  -4.610
  332    HA   VAL  45           HA       VAL  45   0.251  -6.754  -2.419
  333    HB   VAL  45           HB       VAL  45  -1.310  -4.190  -2.814
  334   1HG1  VAL  45          1HG1      VAL  45  -2.589  -6.119  -1.925
  335   2HG1  VAL  45          2HG1      VAL  45  -1.452  -6.270  -0.596
  336   3HG1  VAL  45          3HG1      VAL  45  -2.461  -4.816  -0.752
  337   1HG2  VAL  45          1HG2      VAL  45  -0.543  -3.375  -0.630
  338   2HG2  VAL  45          2HG2      VAL  45   0.630  -4.696  -0.541
  339   3HG2  VAL  45          3HG2      VAL  45   0.767  -3.455  -1.802
  340    H    SER  46           H        SER  46  -1.364  -8.083  -3.001
  341    HA   SER  46           HA       SER  46  -3.223  -7.112  -5.106
  342   1HB   SER  46          1HB       SER  46  -2.405  -8.916  -6.216
  343   2HB   SER  46          2HB       SER  46  -2.268  -9.960  -4.903
  344    HG   SER  46           HG       SER  46  -4.506  -8.877  -6.288
  345    H    TYR  47           H        TYR  47  -5.083  -6.698  -4.438
  346    HA   TYR  47           HA       TYR  47  -6.237  -7.582  -1.924
  347   1HB   TYR  47          1HB       TYR  47  -6.205  -5.428  -0.857
  348   2HB   TYR  47          2HB       TYR  47  -4.640  -6.132  -1.027
  349    HD1  TYR  47           HD1      TYR  47  -5.608  -3.206  -0.417
  350    HD2  TYR  47           HD2      TYR  47  -3.868  -5.097  -3.878
  351    HE1  TYR  47           HE1      TYR  47  -4.511  -1.076  -1.055
  352    HE2  TYR  47           HE2      TYR  47  -2.855  -2.970  -4.548
  353    HH   TYR  47           HH       TYR  47  -3.268   0.037  -2.680
  354    H    HIS  48           H        HIS  48  -7.366  -8.090  -4.181
  355    HA   HIS  48           HA       HIS  48  -9.684  -6.241  -4.364
  356   1HB   HIS  48          1HB       HIS  48  -8.174  -7.169  -6.812
  357   2HB   HIS  48          2HB       HIS  48  -9.519  -6.034  -6.745
  358    HD2  HIS  48           HD2      HIS  48  -5.761  -6.330  -6.036
  359    HE1  HIS  48           HE1      HIS  48  -6.749  -2.244  -5.404
  360    HE2  HIS  48           HE2      HIS  48  -4.842  -3.902  -5.574
  361    H    GLY  49           H        GLY  49 -11.319  -7.489  -3.810
  362   1HA   GLY  49          1HA       GLY  49 -11.849 -10.117  -5.098
  363   2HA   GLY  49          2HA       GLY  49 -12.852  -9.275  -3.901
  364    H    GLU  50           H        GLU  50 -14.633  -8.608  -4.673
  365    HA   GLU  50           HA       GLU  50 -15.388  -8.778  -7.362
  366   1HB   GLU  50          1HB       GLU  50 -16.982  -7.307  -5.234
  367   2HB   GLU  50          2HB       GLU  50 -17.573  -8.168  -6.643
  368   1HG   GLU  50          1HG       GLU  50 -18.108  -9.584  -4.872
  369   2HG   GLU  50          2HG       GLU  50 -16.634 -10.311  -5.522
  370    H    THR  51           H        THR  51 -14.812  -5.800  -5.467
  371    HA   THR  51           HA       THR  51 -14.897  -4.073  -7.844
  372    HB   THR  51           HB       THR  51 -17.236  -4.631  -7.571
  373    HG1  THR  51           HG1      THR  51 -16.412  -2.062  -6.831
  374   1HG2  THR  51          1HG2      THR  51 -17.371  -5.039  -5.122
  375   2HG2  THR  51          2HG2      THR  51 -17.083  -3.318  -4.815
  376   3HG2  THR  51          3HG2      THR  51 -18.550  -3.838  -5.665
  377    H    THR  52           H        THR  52 -12.864  -4.371  -5.839
  378    HA   THR  52           HA       THR  52 -12.926  -2.533  -3.735
  379    HB   THR  52           HB       THR  52 -10.522  -3.461  -5.327
  380    HG1  THR  52           HG1      THR  52 -10.517  -4.817  -3.340
  381   1HG2  THR  52          1HG2      THR  52 -10.745  -2.314  -2.496
  382   2HG2  THR  52          2HG2      THR  52  -9.290  -3.058  -3.195
  383   3HG2  THR  52          3HG2      THR  52  -9.910  -1.557  -3.876
  384    HA   PRO  53           HA       PRO  53 -12.533   1.246  -6.262
  385   1HB   PRO  53          1HB       PRO  53 -13.435   3.082  -4.488
  386   2HB   PRO  53          2HB       PRO  53 -14.516   1.812  -5.130
  387   1HG   PRO  53          1HG       PRO  53 -12.974   1.777  -2.512
  388   2HG   PRO  53          2HG       PRO  53 -14.729   1.498  -2.754
  389   1HD   PRO  53          1HD       PRO  53 -12.886  -0.540  -2.608
  390   2HD   PRO  53          2HD       PRO  53 -14.352  -0.643  -3.628
  391    H    GLN  54           H        GLN  54 -11.601   3.661  -5.432
  392    HA   GLN  54           HA       GLN  54  -8.813   3.345  -5.178
  393   1HB   GLN  54          1HB       GLN  54 -10.039   5.193  -6.311
  394   2HB   GLN  54          2HB       GLN  54 -10.411   5.893  -4.730
  395   1HG   GLN  54          1HG       GLN  54  -8.071   6.338  -4.298
  396   2HG   GLN  54          2HG       GLN  54  -7.564   5.303  -5.644
  397   1HE2  GLN  54          1HE2      GLN  54  -6.259   7.436  -6.030
  398   2HE2  GLN  54          2HE2      GLN  54  -7.115   8.603  -7.042
  399    H    ILE  55           H        ILE  55 -10.787   2.683  -2.691
  400    HA   ILE  55           HA       ILE  55  -9.258   3.621  -0.407
  401    HB   ILE  55           HB       ILE  55 -10.978   1.166  -0.851
  402   1HG1  ILE  55          1HG1      ILE  55 -12.260   3.258  -0.966
  403   2HG1  ILE  55          2HG1      ILE  55 -12.674   2.329   0.460
  404   1HG2  ILE  55          1HG2      ILE  55  -9.508   0.579   0.949
  405   2HG2  ILE  55          2HG2      ILE  55  -9.716   2.157   1.729
  406   3HG2  ILE  55          3HG2      ILE  55 -11.067   1.004   1.657
  407   1HD1  ILE  55          1HD1      ILE  55 -12.591   4.697   0.987
  408   2HD1  ILE  55          2HD1      ILE  55 -11.275   3.890   1.850
  409   3HD1  ILE  55          3HD1      ILE  55 -10.940   4.838   0.381
  410    H    LEU  56           H        LEU  56  -8.587   1.371  -2.931
  411    HA   LEU  56           HA       LEU  56  -6.379  -0.026  -1.775
  412   1HB   LEU  56          1HB       LEU  56  -5.843  -0.644  -4.004
  413   2HB   LEU  56          2HB       LEU  56  -7.582  -0.551  -3.917
  414    HG   LEU  56           HG       LEU  56  -7.124   1.942  -4.866
  415   1HD1  LEU  56          1HD1      LEU  56  -5.294   1.925  -6.525
  416   2HD1  LEU  56          2HD1      LEU  56  -4.618   1.688  -4.911
  417   3HD1  LEU  56          3HD1      LEU  56  -4.797   0.304  -5.996
  418   1HD2  LEU  56          1HD2      LEU  56  -8.499   0.143  -5.961
  419   2HD2  LEU  56          2HD2      LEU  56  -7.577   1.133  -7.100
  420   3HD2  LEU  56          3HD2      LEU  56  -7.014  -0.496  -6.691
  421    H    THR  57           H        THR  57  -6.708   3.246  -2.912
  422    HA   THR  57           HA       THR  57  -3.800   3.843  -2.620
  423    HB   THR  57           HB       THR  57  -6.019   5.709  -3.550
  424    HG1  THR  57           HG1      THR  57  -4.297   4.006  -5.004
  425   1HG2  THR  57          1HG2      THR  57  -4.117   6.893  -4.654
  426   2HG2  THR  57          2HG2      THR  57  -3.963   6.872  -2.896
  427   3HG2  THR  57          3HG2      THR  57  -2.981   5.769  -3.873
  428    H    ASP  58           H        ASP  58  -7.003   4.928  -1.397
  429    HA   ASP  58           HA       ASP  58  -6.495   6.985   0.239
  430   1HB   ASP  58          1HB       ASP  58  -8.645   5.778  -0.087
  431   2HB   ASP  58          2HB       ASP  58  -8.084   4.531   1.040
  432    H    ALA  59           H        ALA  59  -5.815   3.608   1.321
  433    HA   ALA  59           HA       ALA  59  -4.901   4.433   3.866
  434   1HB   ALA  59          1HB       ALA  59  -4.141   2.086   4.089
  435   2HB   ALA  59          2HB       ALA  59  -5.711   2.142   3.267
  436   3HB   ALA  59          3HB       ALA  59  -4.231   1.877   2.321
  437    H    VAL  60           H        VAL  60  -3.200   4.679   0.916
  438    HA   VAL  60           HA       VAL  60  -0.528   4.904   2.156
  439    HB   VAL  60           HB       VAL  60   0.379   5.400   0.208
  440   1HG1  VAL  60          1HG1      VAL  60  -1.920   3.609  -0.680
  441   2HG1  VAL  60          2HG1      VAL  60  -0.356   3.727  -1.481
  442   3HG1  VAL  60          3HG1      VAL  60  -0.454   3.089   0.168
  443   1HG2  VAL  60          1HG2      VAL  60  -0.517   6.055  -1.957
  444   2HG2  VAL  60          2HG2      VAL  60  -2.068   6.400  -1.188
  445   3HG2  VAL  60          3HG2      VAL  60  -0.621   7.279  -0.699
  446    H    GLU  61           H        GLU  61  -3.054   6.945   0.963
  447    HA   GLU  61           HA       GLU  61  -1.918   9.534   1.371
  448   1HB   GLU  61          1HB       GLU  61  -4.866   8.892   1.729
  449   2HB   GLU  61          2HB       GLU  61  -4.154  10.422   1.297
  450   1HG   GLU  61          1HG       GLU  61  -4.075   7.936  -0.489
  451   2HG   GLU  61          2HG       GLU  61  -5.310   9.182  -0.563
  452    H    ARG  62           H        ARG  62  -4.062   7.616   3.514
  453    HA   ARG  62           HA       ARG  62  -3.934   8.990   5.924
  454   1HB   ARG  62          1HB       ARG  62  -5.330   7.099   5.646
  455   2HB   ARG  62          2HB       ARG  62  -4.000   6.034   5.234
  456   1HG   ARG  62          1HG       ARG  62  -4.161   7.263   8.003
  457   2HG   ARG  62          2HG       ARG  62  -5.135   5.865   7.573
  458   1HD   ARG  62          1HD       ARG  62  -3.185   4.522   7.055
  459   2HD   ARG  62          2HD       ARG  62  -2.074   5.843   7.344
  460    HE   ARG  62           HE       ARG  62  -3.074   5.902   9.712
  461   1HH1  ARG  62          1HH1      ARG  62  -2.437   2.979   7.849
  462   2HH1  ARG  62          2HH1      ARG  62  -2.117   2.007   9.249
  463   1HH2  ARG  62          1HH2      ARG  62  -2.584   4.596  11.530
  464   2HH2  ARG  62          2HH2      ARG  62  -2.000   2.966  11.242
  465    H    ALA  63           H        ALA  63  -1.243   7.195   4.469
  466    HA   ALA  63           HA       ALA  63   0.233   7.020   7.013
  467   1HB   ALA  63          1HB       ALA  63   1.024   6.262   4.163
  468   2HB   ALA  63          2HB       ALA  63   1.936   5.879   5.609
  469   3HB   ALA  63          3HB       ALA  63   0.321   5.178   5.377
  470    H    GLY  64           H        GLY  64  -0.225   9.521   4.808
  471   1HA   GLY  64          1HA       GLY  64   0.776  11.639   4.798
  472   2HA   GLY  64          2HA       GLY  64   2.216  10.991   5.642
  473    H    TYR  65           H        TYR  65   1.035   9.004   3.101
  474    HA   TYR  65           HA       TYR  65   3.389   9.762   1.455
  475   1HB   TYR  65          1HB       TYR  65   2.114   7.036   1.792
  476   2HB   TYR  65          2HB       TYR  65   3.571   7.376   0.900
  477    HD1  TYR  65           HD1      TYR  65   4.630   9.334   3.356
  478    HD2  TYR  65           HD2      TYR  65   3.298   5.259   2.925
  479    HE1  TYR  65           HE1      TYR  65   5.863   8.717   5.412
  480    HE2  TYR  65           HE2      TYR  65   4.589   4.632   4.937
  481    HH   TYR  65           HH       TYR  65   6.449   6.968   6.898
  482    H    HIS  66           H        HIS  66   3.163   8.660  -0.825
  483    HA   HIS  66           HA       HIS  66   0.457   8.863  -2.003
  484   1HB   HIS  66          1HB       HIS  66   2.816  10.650  -2.737
  485   2HB   HIS  66          2HB       HIS  66   1.683  10.155  -3.982
  486    HD1  HIS  66           HD1      HIS  66   1.787  12.290  -0.836
  487    HD2  HIS  66           HD2      HIS  66  -1.006  10.601  -3.454
  488    HE1  HIS  66           HE1      HIS  66  -0.514  13.151  -0.126
  489    HE2  HIS  66           HE2      HIS  66  -2.176  12.001  -1.694
  490    H    ALA  67           H        ALA  67   0.340   7.834  -4.125
  491    HA   ALA  67           HA       ALA  67   2.296   5.598  -4.381
  492   1HB   ALA  67          1HB       ALA  67   0.580   4.789  -6.048
  493   2HB   ALA  67          2HB       ALA  67  -0.073   5.009  -4.409
  494   3HB   ALA  67          3HB       ALA  67  -0.404   6.209  -5.683
  495    H    ARG  68           H        ARG  68   3.754   5.430  -6.063
  496    HA   ARG  68           HA       ARG  68   3.460   7.251  -8.398
  497   1HB   ARG  68          1HB       ARG  68   5.911   7.591  -8.464
  498   2HB   ARG  68          2HB       ARG  68   5.115   8.375  -7.103
  499   1HG   ARG  68          1HG       ARG  68   5.973   6.769  -5.535
  500   2HG   ARG  68          2HG       ARG  68   6.422   5.666  -6.827
  501   1HD   ARG  68          1HD       ARG  68   8.383   6.625  -5.879
  502   2HD   ARG  68          2HD       ARG  68   8.219   7.092  -7.572
  503    HE   ARG  68           HE       ARG  68   7.137   9.278  -6.314
  504   1HH1  ARG  68          1HH1      ARG  68  10.122   7.523  -5.442
  505   2HH1  ARG  68          2HH1      ARG  68  10.872   8.918  -4.918
  506   1HH2  ARG  68          1HH2      ARG  68   8.169  11.016  -5.732
  507   2HH2  ARG  68          2HH2      ARG  68   9.846  10.982  -5.156
  508    H    VAL  69           H        VAL  69   4.067   6.391 -10.374
  509    HA   VAL  69           HA       VAL  69   4.225   3.509 -10.545
  510    HB   VAL  69           HB       VAL  69   4.446   4.063 -12.993
  511   1HG1  VAL  69          1HG1      VAL  69   2.286   3.507 -11.947
  512   2HG1  VAL  69          2HG1      VAL  69   2.020   5.226 -11.583
  513   3HG1  VAL  69          3HG1      VAL  69   2.085   4.669 -13.267
  514   1HG2  VAL  69          1HG2      VAL  69   3.867   6.931 -12.197
  515   2HG2  VAL  69          2HG2      VAL  69   5.397   6.334 -12.876
  516   3HG2  VAL  69          3HG2      VAL  69   3.918   6.272 -13.840
  517    H    LEU  70           H        LEU  70   5.794   2.250 -11.304
  518    HA   LEU  70           HA       LEU  70   8.563   3.304 -11.070
  519   1HB   LEU  70          1HB       LEU  70   9.213   1.042 -10.611
  520   2HB   LEU  70          2HB       LEU  70   8.037   1.642  -9.483
  521    HG   LEU  70           HG       LEU  70   6.265   0.264 -10.630
  522   1HD1  LEU  70          1HD1      LEU  70   8.653  -0.899 -12.135
  523   2HD1  LEU  70          2HD1      LEU  70   7.074  -1.701 -11.981
  524   3HD1  LEU  70          3HD1      LEU  70   7.188  -0.169 -12.837
  525   1HD2  LEU  70          1HD2      LEU  70   7.001  -1.821  -9.565
  526   2HD2  LEU  70          2HD2      LEU  70   8.686  -1.256  -9.558
  527   3HD2  LEU  70          3HD2      LEU  70   7.468  -0.442  -8.559
  528    H    LYS  71           H        LYS  71  10.193   2.313 -12.551
  529    HA   LYS  71           HA       LYS  71   9.242   1.800 -15.303
  530   1HB   LYS  71          1HB       LYS  71  10.708   4.331 -14.405
  531   2HB   LYS  71          2HB       LYS  71  10.629   3.821 -16.079
  532   1HG   LYS  71          1HG       LYS  71   8.228   4.628 -14.393
  533   2HG   LYS  71          2HG       LYS  71   9.055   5.612 -15.590
  534   1HD   LYS  71          1HD       LYS  71   8.496   3.969 -17.365
  535   2HD   LYS  71          2HD       LYS  71   7.599   2.994 -16.185
  536   1HE   LYS  71          1HE       LYS  71   6.080   4.863 -15.737
  537   2HE   LYS  71          2HE       LYS  71   7.007   5.911 -16.830
  538   1HZ   LYS  71          1HZ       LYS  71   5.579   3.446 -17.640
  539   2HZ   LYS  71          2HZ       LYS  71   5.063   4.981 -17.944
  540   3HZ   LYS  71          3HZ       LYS  71   6.443   4.417 -18.645
  541    H    GLN  72           H        GLN  72  10.753   0.965 -16.674
  542    HA   GLN  72           HA       GLN  72  13.559   0.582 -15.745
  543   1HB   GLN  72          1HB       GLN  72  13.867  -0.796 -17.651
  544   2HB   GLN  72          2HB       GLN  72  12.408  -1.338 -16.842
  545   1HG   GLN  72          1HG       GLN  72  12.381   0.445 -19.338
  546   2HG   GLN  72          2HG       GLN  72  12.403  -1.305 -19.388
  547   1HE2  GLN  72          1HE2      GLN  72  10.410  -2.357 -19.424
  548   2HE2  GLN  72          2HE2      GLN  72   8.921  -1.570 -18.915
  549    H    GLN  73           H        GLN  73  11.619   2.699 -17.730
  550    HA   GLN  73           HA       GLN  73  13.424   4.777 -17.996
  551   1HB   GLN  73          1HB       GLN  73  13.783   2.662 -20.052
  552   2HB   GLN  73          2HB       GLN  73  13.431   4.214 -20.765
  553   1HG   GLN  73          1HG       GLN  73  15.375   5.218 -20.031
  554   2HG   GLN  73          2HG       GLN  73  15.513   4.207 -18.594
  555   1HE2  GLN  73          1HE2      GLN  73  16.115   1.898 -18.909
  556   2HE2  GLN  73          2HE2      GLN  73  17.210   1.554 -20.271
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  -6.587 -13.367 -13.635
    2   2H    MET   1          2H        MET   1  -7.288 -12.084 -12.891
    3   3H    MET   1          3H        MET   1  -8.235 -13.331 -13.422
    4    HA   MET   1           HA       MET   1  -7.851 -13.284 -10.990
    5   1HB   MET   1          1HB       MET   1  -6.817 -15.703 -12.528
    6   2HB   MET   1          2HB       MET   1  -7.134 -15.689 -10.785
    7   1HG   MET   1          1HG       MET   1  -9.497 -15.138 -11.172
    8   2HG   MET   1          2HG       MET   1  -9.211 -15.039 -12.910
    9   1HE   MET   1          1HE       MET   1  -9.854 -17.344  -9.840
   10   2HE   MET   1          2HE       MET   1  -9.411 -18.952 -10.449
   11   3HE   MET   1          3HE       MET   1  -8.142 -17.755 -10.120
   12    H    ALA   2           H        ALA   2  -6.248 -13.598  -9.254
   13    HA   ALA   2           HA       ALA   2  -4.312 -13.033  -8.216
   14   1HB   ALA   2          1HB       ALA   2  -2.985 -14.320 -10.639
   15   2HB   ALA   2          2HB       ALA   2  -2.302 -14.109  -9.021
   16   3HB   ALA   2          3HB       ALA   2  -3.674 -15.202  -9.250
   17    H    GLN   3           H        GLN   3  -5.445 -10.959 -10.022
   18    HA   GLN   3           HA       GLN   3  -3.299  -9.629 -11.377
   19   1HB   GLN   3          1HB       GLN   3  -4.943  -7.770 -11.594
   20   2HB   GLN   3          2HB       GLN   3  -5.442  -9.300 -12.278
   21   1HG   GLN   3          1HG       GLN   3  -6.393  -8.492  -9.504
   22   2HG   GLN   3          2HG       GLN   3  -7.128  -7.798 -10.933
   23   1HE2  GLN   3          1HE2      GLN   3  -8.846  -9.069  -9.323
   24   2HE2  GLN   3          2HE2      GLN   3  -9.317 -10.593 -10.034
   25    H    THR   4           H        THR   4  -1.573  -9.241 -10.069
   26    HA   THR   4           HA       THR   4  -1.921  -7.423  -7.766
   27    HB   THR   4           HB       THR   4  -0.523  -9.398  -7.351
   28    HG1  THR   4           HG1      THR   4   1.347  -8.095  -6.720
   29   1HG2  THR   4          1HG2      THR   4   1.394  -8.203  -9.423
   30   2HG2  THR   4          2HG2      THR   4   1.702  -9.601  -8.369
   31   3HG2  THR   4          3HG2      THR   4   0.470  -9.708  -9.632
   32    H    ILE   5           H        ILE   5  -1.014  -5.584  -7.474
   33    HA   ILE   5           HA       ILE   5   0.048  -4.101  -9.835
   34    HB   ILE   5           HB       ILE   5  -1.307  -3.024  -7.328
   35   1HG1  ILE   5          1HG1      ILE   5  -2.960  -3.892  -8.911
   36   2HG1  ILE   5          2HG1      ILE   5  -3.036  -2.143  -8.810
   37   1HG2  ILE   5          1HG2      ILE   5   0.477  -1.515  -7.923
   38   2HG2  ILE   5          2HG2      ILE   5   0.026  -1.542  -9.637
   39   3HG2  ILE   5          3HG2      ILE   5  -1.044  -0.785  -8.434
   40   1HD1  ILE   5          1HD1      ILE   5  -3.337  -2.892 -11.108
   41   2HD1  ILE   5          2HD1      ILE   5  -1.787  -3.742 -11.087
   42   3HD1  ILE   5          3HD1      ILE   5  -1.835  -1.961 -10.990
   43    H    ASN   6           H        ASN   6   2.098  -3.726  -9.740
   44    HA   ASN   6           HA       ASN   6   3.491  -3.527  -7.125
   45   1HB   ASN   6          1HB       ASN   6   5.580  -4.081  -8.237
   46   2HB   ASN   6          2HB       ASN   6   4.429  -5.409  -8.390
   47   1HD2  ASN   6          1HD2      ASN   6   3.206  -5.534 -10.544
   48   2HD2  ASN   6          2HD2      ASN   6   4.067  -4.937 -11.958
   49    H    LEU   7           H        LEU   7   4.224  -1.568  -6.680
   50    HA   LEU   7           HA       LEU   7   4.880   0.376  -8.730
   51   1HB   LEU   7          1HB       LEU   7   3.243   1.924  -8.397
   52   2HB   LEU   7          2HB       LEU   7   2.361   0.437  -8.449
   53    HG   LEU   7           HG       LEU   7   2.849   2.225  -6.036
   54   1HD1  LEU   7          1HD1      LEU   7   0.342   1.078  -7.361
   55   2HD1  LEU   7          2HD1      LEU   7   0.380   2.206  -5.997
   56   3HD1  LEU   7          3HD1      LEU   7   0.973   2.722  -7.590
   57   1HD2  LEU   7          1HD2      LEU   7   1.723  -0.621  -5.996
   58   2HD2  LEU   7          2HD2      LEU   7   3.170  -0.026  -5.149
   59   3HD2  LEU   7          3HD2      LEU   7   1.577   0.558  -4.675
   60    H    GLN   8           H        GLN   8   5.295   2.576  -7.294
   61    HA   GLN   8           HA       GLN   8   7.134   1.846  -5.070
   62   1HB   GLN   8          1HB       GLN   8   7.265   3.891  -7.227
   63   2HB   GLN   8          2HB       GLN   8   8.075   4.170  -5.670
   64   1HG   GLN   8          1HG       GLN   8   9.525   2.328  -5.961
   65   2HG   GLN   8          2HG       GLN   8   8.569   1.645  -7.265
   66   1HE2  GLN   8          1HE2      GLN   8  10.414   4.698  -6.407
   67   2HE2  GLN   8          2HE2      GLN   8  10.955   4.933  -8.062
   68    H    LEU   9           H        LEU   9   7.281   3.676  -3.423
   69    HA   LEU   9           HA       LEU   9   4.507   4.710  -2.984
   70   1HB   LEU   9          1HB       LEU   9   5.334   2.457  -1.838
   71   2HB   LEU   9          2HB       LEU   9   6.185   3.539  -0.756
   72    HG   LEU   9           HG       LEU   9   3.866   4.726  -0.435
   73   1HD1  LEU   9          1HD1      LEU   9   2.648   3.732  -2.319
   74   2HD1  LEU   9          2HD1      LEU   9   3.001   2.093  -1.731
   75   3HD1  LEU   9          3HD1      LEU   9   1.931   3.153  -0.809
   76   1HD2  LEU   9          1HD2      LEU   9   4.934   3.335   1.302
   77   2HD2  LEU   9          2HD2      LEU   9   3.188   3.043   1.261
   78   3HD2  LEU   9          3HD2      LEU   9   4.295   1.863   0.534
   79    H    GLU  10           H        GLU  10   4.549   6.851  -2.799
   80    HA   GLU  10           HA       GLU  10   6.830   8.368  -1.684
   81   1HB   GLU  10          1HB       GLU  10   4.117   9.352  -2.642
   82   2HB   GLU  10          2HB       GLU  10   5.502  10.359  -2.245
   83   1HG   GLU  10          1HG       GLU  10   6.633   8.722  -4.076
   84   2HG   GLU  10          2HG       GLU  10   4.930   8.583  -4.574
   85    H    GLY  11           H        GLY  11   6.306   6.716   0.090
   86   1HA   GLY  11          1HA       GLY  11   4.710   7.941   2.254
   87   2HA   GLY  11          2HA       GLY  11   4.211   6.350   1.660
   88    H    MET  12           H        MET  12   7.602   6.697   1.511
   89    HA   MET  12           HA       MET  12   7.993   5.558   4.235
   90   1HB   MET  12          1HB       MET  12  10.408   5.443   3.605
   91   2HB   MET  12          2HB       MET  12   9.323   4.366   2.730
   92   1HG   MET  12          1HG       MET  12   9.483   5.618   0.721
   93   2HG   MET  12          2HG       MET  12  10.159   7.024   1.539
   94   1HE   MET  12          1HE       MET  12  11.471   3.347   2.361
   95   2HE   MET  12          2HE       MET  12  10.883   3.217   0.679
   96   3HE   MET  12          3HE       MET  12  12.630   3.126   1.044
   97    H    ARG  13           H        ARG  13   9.056   6.622   5.844
   98    HA   ARG  13           HA       ARG  13  10.215   9.216   5.689
   99   1HB   ARG  13          1HB       ARG  13   7.487   9.507   5.479
  100   2HB   ARG  13          2HB       ARG  13   7.641   9.427   7.220
  101   1HG   ARG  13          1HG       ARG  13   7.830  11.725   6.792
  102   2HG   ARG  13          2HG       ARG  13   9.510  11.251   6.933
  103   1HD   ARG  13          1HD       ARG  13   8.905  10.878   4.193
  104   2HD   ARG  13          2HD       ARG  13   8.027  12.336   4.624
  105    HE   ARG  13           HE       ARG  13  10.836  12.009   4.235
  106   1HH1  ARG  13          1HH1      ARG  13   8.615  13.979   6.160
  107   2HH1  ARG  13          2HH1      ARG  13   9.793  15.235   6.413
  108   1HH2  ARG  13          1HH2      ARG  13  12.319  13.662   4.617
  109   2HH2  ARG  13          2HH2      ARG  13  11.846  15.060   5.525
  110    H    CYS  14           H        CYS  14  10.331  10.154   8.084
  111    HA   CYS  14           HA       CYS  14  11.610   8.181   9.703
  112   1HB   CYS  14          1HB       CYS  14  10.905  11.078  10.360
  113   2HB   CYS  14          2HB       CYS  14  12.198  10.123  11.068
  114    HG   CYS  14           HG       CYS  14  13.656   9.855   8.938
  115    H    ALA  15           H        ALA  15   9.095   7.122   9.660
  116    HA   ALA  15           HA       ALA  15   8.245   7.003  12.406
  117   1HB   ALA  15          1HB       ALA  15   6.374   8.440  10.454
  118   2HB   ALA  15          2HB       ALA  15   5.973   7.965  12.120
  119   3HB   ALA  15          3HB       ALA  15   7.207   9.189  11.832
  120    H    ALA  16           H        ALA  16   6.138   5.631  12.533
  121    HA   ALA  16           HA       ALA  16   6.654   3.183  11.264
  122   1HB   ALA  16          1HB       ALA  16   5.651   3.503  13.507
  123   2HB   ALA  16          2HB       ALA  16   4.151   4.103  12.754
  124   3HB   ALA  16          3HB       ALA  16   4.674   2.423  12.507
  125    H    CYS  17           H        CYS  17   5.144   5.662   9.652
  126    HA   CYS  17           HA       CYS  17   2.970   5.217   8.333
  127   1HB   CYS  17          1HB       CYS  17   4.090   6.119   6.267
  128   2HB   CYS  17          2HB       CYS  17   4.439   7.012   7.745
  129    HG   CYS  17           HG       CYS  17   6.811   5.703   8.195
  130    H    ALA  18           H        ALA  18   5.722   3.602   6.688
  131    HA   ALA  18           HA       ALA  18   4.127   2.231   4.868
  132   1HB   ALA  18          1HB       ALA  18   6.899   1.471   5.891
  133   2HB   ALA  18          2HB       ALA  18   6.155   0.954   4.366
  134   3HB   ALA  18          3HB       ALA  18   6.531   2.663   4.613
  135    H    SER  19           H        SER  19   5.380   0.877   7.960
  136    HA   SER  19           HA       SER  19   4.064  -1.709   7.473
  137   1HB   SER  19          1HB       SER  19   6.094  -1.423   8.943
  138   2HB   SER  19          2HB       SER  19   5.043  -0.632  10.138
  139    HG   SER  19           HG       SER  19   3.704  -2.692   9.764
  140    H    SER  20           H        SER  20   3.051   1.329   8.866
  141    HA   SER  20           HA       SER  20   0.573   0.303  10.063
  142   1HB   SER  20          1HB       SER  20   1.997   2.457  10.584
  143   2HB   SER  20          2HB       SER  20   1.059   3.175   9.270
  144    HG   SER  20           HG       SER  20   0.278   3.349  11.517
  145    H    ILE  21           H        ILE  21   1.620   1.389   6.898
  146    HA   ILE  21           HA       ILE  21  -1.024   1.494   5.622
  147    HB   ILE  21           HB       ILE  21   1.831   1.535   4.630
  148   1HG1  ILE  21          1HG1      ILE  21  -0.333   3.625   4.322
  149   2HG1  ILE  21          2HG1      ILE  21   0.633   3.546   5.770
  150   1HG2  ILE  21          1HG2      ILE  21   0.866   1.952   2.337
  151   2HG2  ILE  21          2HG2      ILE  21   0.726   0.298   2.918
  152   3HG2  ILE  21          3HG2      ILE  21  -0.687   1.357   2.952
  153   1HD1  ILE  21          1HD1      ILE  21   1.836   3.865   3.002
  154   2HD1  ILE  21          2HD1      ILE  21   1.503   5.186   4.127
  155   3HD1  ILE  21          3HD1      ILE  21   2.689   3.940   4.548
  156    H    GLU  22           H        GLU  22   1.657  -0.978   5.460
  157    HA   GLU  22           HA       GLU  22   0.204  -3.054   4.304
  158   1HB   GLU  22          1HB       GLU  22   2.088  -3.257   6.691
  159   2HB   GLU  22          2HB       GLU  22   1.616  -4.607   5.665
  160   1HG   GLU  22          1HG       GLU  22   3.118  -2.175   4.606
  161   2HG   GLU  22          2HG       GLU  22   3.913  -3.583   5.294
  162    H    ARG  23           H        ARG  23   0.234  -2.226   7.809
  163    HA   ARG  23           HA       ARG  23  -1.801  -4.131   8.479
  164   1HB   ARG  23          1HB       ARG  23   0.005  -3.131   9.934
  165   2HB   ARG  23          2HB       ARG  23  -1.003  -1.690  10.111
  166   1HG   ARG  23          1HG       ARG  23  -2.726  -2.923  11.240
  167   2HG   ARG  23          2HG       ARG  23  -2.103  -4.474  10.657
  168   1HD   ARG  23          1HD       ARG  23  -0.031  -4.104  12.069
  169   2HD   ARG  23          2HD       ARG  23  -0.824  -2.681  12.753
  170    HE   ARG  23           HE       ARG  23  -2.168  -4.050  14.036
  171   1HH1  ARG  23          1HH1      ARG  23  -0.747  -6.135  11.533
  172   2HH1  ARG  23          2HH1      ARG  23  -1.352  -7.580  12.284
  173   1HH2  ARG  23          1HH2      ARG  23  -2.929  -5.960  14.912
  174   2HH2  ARG  23          2HH2      ARG  23  -2.582  -7.476  14.140
  175    H    ALA  24           H        ALA  24  -2.117  -0.976   7.107
  176    HA   ALA  24           HA       ALA  24  -4.962  -0.673   7.854
  177   1HB   ALA  24          1HB       ALA  24  -3.632   1.360   7.461
  178   2HB   ALA  24          2HB       ALA  24  -3.294   0.834   5.792
  179   3HB   ALA  24          3HB       ALA  24  -4.947   1.213   6.282
  180    H    ILE  25           H        ILE  25  -3.027  -1.729   5.017
  181    HA   ILE  25           HA       ILE  25  -5.236  -2.298   3.265
  182    HB   ILE  25           HB       ILE  25  -2.369  -3.349   3.441
  183   1HG1  ILE  25          1HG1      ILE  25  -3.658  -1.325   1.558
  184   2HG1  ILE  25          2HG1      ILE  25  -2.684  -0.902   2.951
  185   1HG2  ILE  25          1HG2      ILE  25  -3.713  -5.035   2.270
  186   2HG2  ILE  25          2HG2      ILE  25  -4.419  -3.787   1.226
  187   3HG2  ILE  25          3HG2      ILE  25  -2.692  -4.201   1.121
  188   1HD1  ILE  25          1HD1      ILE  25  -1.286  -0.700   1.040
  189   2HD1  ILE  25          2HD1      ILE  25  -1.708  -2.315   0.458
  190   3HD1  ILE  25          3HD1      ILE  25  -0.736  -2.128   1.941
  191    H    ALA  26           H        ALA  26  -3.449  -4.284   5.576
  192    HA   ALA  26           HA       ALA  26  -4.368  -6.775   5.045
  193   1HB   ALA  26          1HB       ALA  26  -2.625  -6.240   6.655
  194   2HB   ALA  26          2HB       ALA  26  -3.835  -5.611   7.803
  195   3HB   ALA  26          3HB       ALA  26  -3.808  -7.341   7.373
  196    H    LYS  27           H        LYS  27  -6.619  -4.415   6.334
  197    HA   LYS  27           HA       LYS  27  -8.519  -6.502   7.177
  198   1HB   LYS  27          1HB       LYS  27  -8.708  -3.471   7.092
  199   2HB   LYS  27          2HB       LYS  27  -9.974  -4.563   7.652
  200   1HG   LYS  27          1HG       LYS  27  -9.022  -4.166   9.635
  201   2HG   LYS  27          2HG       LYS  27  -8.121  -5.596   9.210
  202   1HD   LYS  27          1HD       LYS  27  -6.690  -3.941  10.200
  203   2HD   LYS  27          2HD       LYS  27  -6.194  -4.166   8.548
  204   1HE   LYS  27          1HE       LYS  27  -6.201  -1.767   9.227
  205   2HE   LYS  27          2HE       LYS  27  -7.206  -2.111   7.823
  206   1HZ   LYS  27          1HZ       LYS  27  -8.347  -0.660   9.372
  207   2HZ   LYS  27          2HZ       LYS  27  -9.150  -2.080   9.223
  208   3HZ   LYS  27          3HZ       LYS  27  -8.261  -1.789  10.574
  209    H    VAL  28           H        VAL  28  -7.730  -5.036   4.135
  210    HA   VAL  28           HA       VAL  28 -10.468  -4.788   3.196
  211    HB   VAL  28           HB       VAL  28  -8.466  -3.565   2.249
  212   1HG1  VAL  28          1HG1      VAL  28  -7.057  -5.634   1.859
  213   2HG1  VAL  28          2HG1      VAL  28  -8.067  -5.929   0.423
  214   3HG1  VAL  28          3HG1      VAL  28  -7.124  -4.441   0.554
  215   1HG2  VAL  28          1HG2      VAL  28  -9.399  -3.436  -0.010
  216   2HG2  VAL  28          2HG2      VAL  28 -10.288  -4.951   0.244
  217   3HG2  VAL  28          3HG2      VAL  28 -10.694  -3.506   1.198
  218    HA   PRO  29           HA       PRO  29 -11.072  -9.082   2.849
  219   1HB   PRO  29          1HB       PRO  29 -13.367  -9.279   1.308
  220   2HB   PRO  29          2HB       PRO  29 -13.343  -8.759   3.022
  221   1HG   PRO  29          1HG       PRO  29 -13.319  -7.011   0.545
  222   2HG   PRO  29          2HG       PRO  29 -14.384  -6.870   1.986
  223   1HD   PRO  29          1HD       PRO  29 -12.168  -5.345   1.733
  224   2HD   PRO  29          2HD       PRO  29 -12.596  -6.044   3.324
  225    H    GLY  30           H        GLY  30 -10.488  -7.116   0.055
  226   1HA   GLY  30          1HA       GLY  30 -10.105  -9.322  -1.808
  227   2HA   GLY  30          2HA       GLY  30  -9.724  -7.602  -2.065
  228    H    VAL  31           H        VAL  31  -7.938  -7.990   0.652
  229    HA   VAL  31           HA       VAL  31  -5.566  -8.130  -1.014
  230    HB   VAL  31           HB       VAL  31  -5.484  -6.721   0.902
  231   1HG1  VAL  31          1HG1      VAL  31  -6.608  -8.339   2.587
  232   2HG1  VAL  31          2HG1      VAL  31  -5.020  -9.099   2.732
  233   3HG1  VAL  31          3HG1      VAL  31  -5.224  -7.388   3.141
  234   1HG2  VAL  31          1HG2      VAL  31  -3.444  -7.518  -0.202
  235   2HG2  VAL  31          2HG2      VAL  31  -3.346  -8.877   0.937
  236   3HG2  VAL  31          3HG2      VAL  31  -3.181  -7.216   1.523
  237    H    GLN  32           H        GLN  32  -4.919  -9.824  -1.938
  238    HA   GLN  32           HA       GLN  32  -4.920 -12.470  -0.536
  239   1HB   GLN  32          1HB       GLN  32  -4.820 -13.485  -2.710
  240   2HB   GLN  32          2HB       GLN  32  -6.129 -12.318  -2.690
  241   1HG   GLN  32          1HG       GLN  32  -5.284 -11.389  -4.557
  242   2HG   GLN  32          2HG       GLN  32  -3.953 -10.799  -3.615
  243   1HE2  GLN  32          1HE2      GLN  32  -2.495 -13.257  -3.088
  244   2HE2  GLN  32          2HE2      GLN  32  -1.826 -13.680  -4.662
  245    H    SER  33           H        SER  33  -2.829  -9.836  -1.297
  246    HA   SER  33           HA       SER  33  -0.883 -10.808   0.406
  247   1HB   SER  33          1HB       SER  33  -0.170 -11.271  -2.514
  248   2HB   SER  33          2HB       SER  33   1.066 -10.897  -1.306
  249    HG   SER  33           HG       SER  33  -0.794 -13.022  -1.042
  250    H    CYS  34           H        CYS  34   0.175  -9.021   1.125
  251    HA   CYS  34           HA       CYS  34   0.703  -6.730  -0.674
  252   1HB   CYS  34          1HB       CYS  34   0.724  -5.368   1.503
  253   2HB   CYS  34          2HB       CYS  34  -0.874  -5.901   0.971
  254    HG   CYS  34           HG       CYS  34  -0.332  -5.978   3.671
  255    H    GLN  35           H        GLN  35   2.754  -5.589   0.033
  256    HA   GLN  35           HA       GLN  35   4.810  -6.620   1.623
  257   1HB   GLN  35          1HB       GLN  35   4.510  -7.843  -1.083
  258   2HB   GLN  35          2HB       GLN  35   6.129  -7.282  -0.710
  259   1HG   GLN  35          1HG       GLN  35   6.538  -8.863   0.800
  260   2HG   GLN  35          2HG       GLN  35   4.920  -8.936   1.446
  261   1HE2  GLN  35          1HE2      GLN  35   3.210  -9.937  -0.094
  262   2HE2  GLN  35          2HE2      GLN  35   3.790 -11.321  -1.057
  263    H    VAL  36           H        VAL  36   5.179  -4.496   2.028
  264    HA   VAL  36           HA       VAL  36   6.233  -2.713  -0.059
  265    HB   VAL  36           HB       VAL  36   4.605  -1.968   1.718
  266   1HG1  VAL  36          1HG1      VAL  36   7.032  -1.770   3.558
  267   2HG1  VAL  36          2HG1      VAL  36   5.353  -1.338   3.911
  268   3HG1  VAL  36          3HG1      VAL  36   5.806  -3.038   3.702
  269   1HG2  VAL  36          1HG2      VAL  36   5.874  -0.361   0.341
  270   2HG2  VAL  36          2HG2      VAL  36   5.584   0.250   1.974
  271   3HG2  VAL  36          3HG2      VAL  36   7.189  -0.362   1.535
  272    H    ASN  37           H        ASN  37   8.251  -1.936  -0.229
  273    HA   ASN  37           HA       ASN  37  10.445  -3.243   1.330
  274   1HB   ASN  37          1HB       ASN  37  10.218  -3.883  -1.027
  275   2HB   ASN  37          2HB       ASN  37  10.407  -2.200  -1.521
  276   1HD2  ASN  37          1HD2      ASN  37  12.057  -4.743  -1.959
  277   2HD2  ASN  37          2HD2      ASN  37  13.689  -4.274  -1.458
  278    H    PHE  38           H        PHE  38  10.935  -1.839   2.886
  279    HA   PHE  38           HA       PHE  38  10.874   1.019   2.579
  280   1HB   PHE  38          1HB       PHE  38  10.328  -0.512   4.619
  281   2HB   PHE  38          2HB       PHE  38  12.057  -0.473   4.927
  282    HD1  PHE  38           HD1      PHE  38  12.976   1.409   6.130
  283    HD2  PHE  38           HD2      PHE  38   9.041   1.685   4.393
  284    HE1  PHE  38           HE1      PHE  38  12.594   3.544   7.330
  285    HE2  PHE  38           HE2      PHE  38   8.652   3.812   5.620
  286    HZ   PHE  38           HZ       PHE  38  10.428   4.739   7.096
  287    H    ALA  39           H        ALA  39  12.899  -0.273   0.796
  288    HA   ALA  39           HA       ALA  39  15.178   1.489   1.503
  289   1HB   ALA  39          1HB       ALA  39  15.756  -0.740   2.416
  290   2HB   ALA  39          2HB       ALA  39  15.441  -1.486   0.832
  291   3HB   ALA  39          3HB       ALA  39  16.780  -0.334   1.026
  292    H    LEU  40           H        LEU  40  13.424  -0.473  -0.974
  293    HA   LEU  40           HA       LEU  40  14.536   1.261  -3.056
  294   1HB   LEU  40          1HB       LEU  40  15.540  -0.871  -3.127
  295   2HB   LEU  40          2HB       LEU  40  14.069  -1.700  -2.641
  296    HG   LEU  40           HG       LEU  40  13.081  -1.351  -4.715
  297   1HD1  LEU  40          1HD1      LEU  40  14.258   0.721  -5.543
  298   2HD1  LEU  40          2HD1      LEU  40  15.761  -0.209  -5.682
  299   3HD1  LEU  40          3HD1      LEU  40  14.378  -0.580  -6.735
  300   1HD2  LEU  40          1HD2      LEU  40  15.809  -2.664  -4.941
  301   2HD2  LEU  40          2HD2      LEU  40  14.327  -3.405  -4.299
  302   3HD2  LEU  40          3HD2      LEU  40  14.428  -2.977  -6.016
  303    H    GLU  41           H        GLU  41  12.156   1.623  -1.335
  304    HA   GLU  41           HA       GLU  41  10.148   2.611  -1.434
  305   1HB   GLU  41          1HB       GLU  41  11.002   3.034  -4.321
  306   2HB   GLU  41          2HB       GLU  41   9.480   3.623  -3.680
  307   1HG   GLU  41          1HG       GLU  41  10.803   4.867  -1.905
  308   2HG   GLU  41          2HG       GLU  41  12.239   4.522  -2.883
  309    H    GLN  42           H        GLN  42  10.312  -0.313  -3.356
  310    HA   GLN  42           HA       GLN  42   7.773   0.061  -4.546
  311   1HB   GLN  42          1HB       GLN  42   7.605  -2.072  -5.276
  312   2HB   GLN  42          2HB       GLN  42   9.250  -1.632  -5.459
  313   1HG   GLN  42          1HG       GLN  42   8.420  -3.203  -2.926
  314   2HG   GLN  42          2HG       GLN  42   8.223  -4.006  -4.455
  315   1HE2  GLN  42          1HE2      GLN  42  10.992  -2.091  -4.947
  316   2HE2  GLN  42          2HE2      GLN  42  12.126  -3.345  -4.441
  317    H    ALA  43           H        ALA  43   5.770  -0.818  -4.249
  318    HA   ALA  43           HA       ALA  43   5.336  -2.597  -1.951
  319   1HB   ALA  43          1HB       ALA  43   3.284  -0.522  -2.848
  320   2HB   ALA  43          2HB       ALA  43   3.047  -1.777  -1.613
  321   3HB   ALA  43          3HB       ALA  43   4.206  -0.466  -1.333
  322    H    VAL  44           H        VAL  44   4.505  -4.501  -2.580
  323    HA   VAL  44           HA       VAL  44   3.126  -4.605  -5.227
  324    HB   VAL  44           HB       VAL  44   5.111  -5.950  -5.387
  325   1HG1  VAL  44          1HG1      VAL  44   5.524  -8.001  -4.225
  326   2HG1  VAL  44          2HG1      VAL  44   5.404  -6.697  -3.039
  327   3HG1  VAL  44          3HG1      VAL  44   4.045  -7.835  -3.271
  328   1HG2  VAL  44          1HG2      VAL  44   3.064  -6.560  -6.637
  329   2HG2  VAL  44          2HG2      VAL  44   4.111  -7.948  -6.308
  330   3HG2  VAL  44          3HG2      VAL  44   2.641  -7.713  -5.347
  331    H    VAL  45           H        VAL  45   1.041  -5.001  -5.141
  332    HA   VAL  45           HA       VAL  45   0.031  -6.674  -2.957
  333    HB   VAL  45           HB       VAL  45  -1.324  -4.032  -3.395
  334   1HG1  VAL  45          1HG1      VAL  45  -1.559  -6.046  -1.117
  335   2HG1  VAL  45          2HG1      VAL  45  -2.484  -4.551  -1.270
  336   3HG1  VAL  45          3HG1      VAL  45  -2.722  -5.864  -2.433
  337   1HG2  VAL  45          1HG2      VAL  45   0.567  -4.569  -1.089
  338   2HG2  VAL  45          2HG2      VAL  45   0.816  -3.415  -2.420
  339   3HG2  VAL  45          3HG2      VAL  45  -0.498  -3.168  -1.280
  340    H    SER  46           H        SER  46  -1.404  -8.025  -3.653
  341    HA   SER  46           HA       SER  46  -3.222  -7.225  -5.900
  342   1HB   SER  46          1HB       SER  46  -2.363  -9.114  -6.778
  343   2HB   SER  46          2HB       SER  46  -2.194  -9.972  -5.304
  344    HG   SER  46           HG       SER  46  -3.943 -10.798  -6.320
  345    H    TYR  47           H        TYR  47  -4.827  -6.317  -5.092
  346    HA   TYR  47           HA       TYR  47  -6.371  -7.464  -2.913
  347   1HB   TYR  47          1HB       TYR  47  -6.727  -5.302  -1.809
  348   2HB   TYR  47          2HB       TYR  47  -5.163  -6.027  -1.609
  349    HD1  TYR  47           HD1      TYR  47  -5.708  -3.440  -0.642
  350    HD2  TYR  47           HD2      TYR  47  -4.210  -4.567  -4.507
  351    HE1  TYR  47           HE1      TYR  47  -4.209  -1.485  -0.619
  352    HE2  TYR  47           HE2      TYR  47  -2.766  -2.566  -4.521
  353    HH   TYR  47           HH       TYR  47  -2.372  -0.500  -1.632
  354    H    HIS  48           H        HIS  48  -6.484  -7.097  -5.869
  355    HA   HIS  48           HA       HIS  48  -8.881  -5.411  -6.245
  356   1HB   HIS  48          1HB       HIS  48  -6.992  -6.701  -8.248
  357   2HB   HIS  48          2HB       HIS  48  -8.262  -5.522  -8.610
  358    HD2  HIS  48           HD2      HIS  48  -4.786  -5.860  -7.012
  359    HE1  HIS  48           HE1      HIS  48  -5.817  -1.701  -6.711
  360    HE2  HIS  48           HE2      HIS  48  -3.929  -3.405  -6.441
  361    H    GLY  49           H        GLY  49  -9.876  -7.159  -4.864
  362   1HA   GLY  49          1HA       GLY  49 -10.720  -9.637  -6.298
  363   2HA   GLY  49          2HA       GLY  49 -10.896  -9.278  -4.564
  364    H    GLU  50           H        GLU  50 -12.239  -6.866  -4.620
  365    HA   GLU  50           HA       GLU  50 -14.523  -6.776  -6.299
  366   1HB   GLU  50          1HB       GLU  50 -15.211  -8.778  -5.064
  367   2HB   GLU  50          2HB       GLU  50 -15.063  -7.943  -3.536
  368   1HG   GLU  50          1HG       GLU  50 -16.929  -7.029  -5.790
  369   2HG   GLU  50          2HG       GLU  50 -17.406  -8.235  -4.595
  370    H    THR  51           H        THR  51 -14.784  -6.010  -2.845
  371    HA   THR  51           HA       THR  51 -15.547  -3.603  -2.787
  372    HB   THR  51           HB       THR  51 -14.289  -3.047  -0.729
  373    HG1  THR  51           HG1      THR  51 -12.397  -4.113  -1.648
  374   1HG2  THR  51          1HG2      THR  51 -16.254  -4.609  -0.655
  375   2HG2  THR  51          2HG2      THR  51 -15.124  -5.971  -0.739
  376   3HG2  THR  51          3HG2      THR  51 -15.071  -4.854   0.643
  377    H    THR  52           H        THR  52 -15.250  -1.945  -3.957
  378    HA   THR  52           HA       THR  52 -13.828  -1.118  -5.809
  379    HB   THR  52           HB       THR  52 -14.385   0.908  -3.620
  380    HG1  THR  52           HG1      THR  52 -16.431   0.920  -4.577
  381   1HG2  THR  52          1HG2      THR  52 -14.865   2.408  -5.547
  382   2HG2  THR  52          2HG2      THR  52 -13.181   1.873  -5.579
  383   3HG2  THR  52          3HG2      THR  52 -14.369   1.129  -6.675
  384    HA   PRO  53           HA       PRO  53  -9.875  -1.422  -3.706
  385   1HB   PRO  53          1HB       PRO  53  -8.324  -2.658  -5.507
  386   2HB   PRO  53          2HB       PRO  53  -9.723  -3.467  -4.756
  387   1HG   PRO  53          1HG       PRO  53  -9.688  -2.036  -7.445
  388   2HG   PRO  53          2HG       PRO  53 -10.228  -3.716  -7.106
  389   1HD   PRO  53          1HD       PRO  53 -12.007  -1.659  -7.168
  390   2HD   PRO  53          2HD       PRO  53 -12.152  -2.969  -5.961
  391    H    GLN  54           H        GLN  54 -10.696   1.031  -5.376
  392    HA   GLN  54           HA       GLN  54  -8.252   2.421  -6.084
  393   1HB   GLN  54          1HB       GLN  54 -10.585   3.026  -6.745
  394   2HB   GLN  54          2HB       GLN  54 -10.951   3.411  -5.058
  395   1HG   GLN  54          1HG       GLN  54  -9.387   5.279  -5.089
  396   2HG   GLN  54          2HG       GLN  54  -8.744   4.779  -6.659
  397   1HE2  GLN  54          1HE2      GLN  54  -9.419   7.258  -6.979
  398   2HE2  GLN  54          2HE2      GLN  54 -11.050   7.407  -7.649
  399    H    ILE  55           H        ILE  55  -9.561   1.223  -3.158
  400    HA   ILE  55           HA       ILE  55  -8.224   2.530  -1.067
  401    HB   ILE  55           HB       ILE  55  -8.582  -0.420  -1.723
  402   1HG1  ILE  55          1HG1      ILE  55 -10.173   1.335   0.210
  403   2HG1  ILE  55          2HG1      ILE  55 -10.662   1.082  -1.456
  404   1HG2  ILE  55          1HG2      ILE  55  -6.804  -0.242  -0.030
  405   2HG2  ILE  55          2HG2      ILE  55  -7.832   0.833   0.952
  406   3HG2  ILE  55          3HG2      ILE  55  -8.265  -0.871   0.705
  407   1HD1  ILE  55          1HD1      ILE  55 -10.491  -1.060   0.679
  408   2HD1  ILE  55          2HD1      ILE  55 -11.930  -0.417  -0.122
  409   3HD1  ILE  55          3HD1      ILE  55 -10.773  -1.385  -1.054
  410    H    LEU  56           H        LEU  56  -6.679   0.864  -3.830
  411    HA   LEU  56           HA       LEU  56  -4.097   0.746  -2.654
  412   1HB   LEU  56          1HB       LEU  56  -3.152   0.568  -4.827
  413   2HB   LEU  56          2HB       LEU  56  -4.555  -0.464  -4.681
  414    HG   LEU  56           HG       LEU  56  -5.795   0.729  -6.262
  415   1HD1  LEU  56          1HD1      LEU  56  -5.547   3.049  -5.743
  416   2HD1  LEU  56          2HD1      LEU  56  -3.799   3.014  -6.130
  417   3HD1  LEU  56          3HD1      LEU  56  -5.019   2.814  -7.402
  418   1HD2  LEU  56          1HD2      LEU  56  -4.379   0.612  -8.224
  419   2HD2  LEU  56          2HD2      LEU  56  -2.916   0.834  -7.239
  420   3HD2  LEU  56          3HD2      LEU  56  -3.867  -0.653  -7.091
  421    H    THR  57           H        THR  57  -5.840   3.463  -3.473
  422    HA   THR  57           HA       THR  57  -3.497   5.287  -2.977
  423    HB   THR  57           HB       THR  57  -6.398   5.983  -3.621
  424    HG1  THR  57           HG1      THR  57  -4.804   4.967  -5.160
  425   1HG2  THR  57          1HG2      THR  57  -5.298   7.810  -2.371
  426   2HG2  THR  57          2HG2      THR  57  -3.882   7.713  -3.437
  427   3HG2  THR  57          3HG2      THR  57  -5.452   8.247  -4.078
  428    H    ASP  58           H        ASP  58  -6.856   4.902  -1.686
  429    HA   ASP  58           HA       ASP  58  -6.520   6.590   0.484
  430   1HB   ASP  58          1HB       ASP  58  -8.689   5.803  -0.254
  431   2HB   ASP  58          2HB       ASP  58  -8.306   4.157   0.263
  432    H    ALA  59           H        ALA  59  -5.702   3.086   0.469
  433    HA   ALA  59           HA       ALA  59  -5.093   3.147   3.310
  434   1HB   ALA  59          1HB       ALA  59  -4.340   1.089   1.184
  435   2HB   ALA  59          2HB       ALA  59  -4.264   0.853   2.949
  436   3HB   ALA  59          3HB       ALA  59  -5.832   1.078   2.159
  437    H    VAL  60           H        VAL  60  -3.352   4.424   0.783
  438    HA   VAL  60           HA       VAL  60  -0.853   4.548   2.442
  439    HB   VAL  60           HB       VAL  60  -1.207   5.880  -0.256
  440   1HG1  VAL  60          1HG1      VAL  60   0.804   6.350   1.225
  441   2HG1  VAL  60          2HG1      VAL  60   1.262   4.656   1.023
  442   3HG1  VAL  60          3HG1      VAL  60   1.191   5.724  -0.386
  443   1HG2  VAL  60          1HG2      VAL  60  -0.211   3.928  -1.389
  444   2HG2  VAL  60          2HG2      VAL  60  -0.370   2.976   0.109
  445   3HG2  VAL  60          3HG2      VAL  60  -1.809   3.558  -0.754
  446    H    GLU  61           H        GLU  61  -3.567   6.470   1.172
  447    HA   GLU  61           HA       GLU  61  -2.614   9.012   2.077
  448   1HB   GLU  61          1HB       GLU  61  -4.340   8.379   0.233
  449   2HB   GLU  61          2HB       GLU  61  -5.485   8.249   1.569
  450   1HG   GLU  61          1HG       GLU  61  -5.757  10.411   0.767
  451   2HG   GLU  61          2HG       GLU  61  -4.764  10.626   2.223
  452    H    ARG  62           H        ARG  62  -4.453   6.431   3.652
  453    HA   ARG  62           HA       ARG  62  -5.211   7.625   6.043
  454   1HB   ARG  62          1HB       ARG  62  -5.224   5.492   7.001
  455   2HB   ARG  62          2HB       ARG  62  -5.599   5.293   5.307
  456   1HG   ARG  62          1HG       ARG  62  -4.153   3.534   5.776
  457   2HG   ARG  62          2HG       ARG  62  -3.176   4.711   4.902
  458   1HD   ARG  62          1HD       ARG  62  -2.207   3.393   6.940
  459   2HD   ARG  62          2HD       ARG  62  -1.722   5.030   6.650
  460    HE   ARG  62           HE       ARG  62  -3.377   5.778   8.317
  461   1HH1  ARG  62          1HH1      ARG  62  -2.176   2.452   8.668
  462   2HH1  ARG  62          2HH1      ARG  62  -2.167   2.581  10.382
  463   1HH2  ARG  62          1HH2      ARG  62  -3.640   5.739  10.477
  464   2HH2  ARG  62          2HH2      ARG  62  -3.218   4.325  11.406
  465    H    ALA  63           H        ALA  63  -1.931   7.249   4.952
  466    HA   ALA  63           HA       ALA  63  -0.943   8.169   7.645
  467   1HB   ALA  63          1HB       ALA  63   1.273   7.480   6.839
  468   2HB   ALA  63          2HB       ALA  63   0.136   6.135   6.765
  469   3HB   ALA  63          3HB       ALA  63   0.564   7.004   5.275
  470    H    GLY  64           H        GLY  64  -1.998   9.606   4.830
  471   1HA   GLY  64          1HA       GLY  64  -1.875  11.863   4.257
  472   2HA   GLY  64          2HA       GLY  64  -0.324  12.032   5.140
  473    H    TYR  65           H        TYR  65  -0.639   9.225   3.086
  474    HA   TYR  65           HA       TYR  65   1.421  10.481   1.356
  475   1HB   TYR  65          1HB       TYR  65   1.516   7.948   2.980
  476   2HB   TYR  65          2HB       TYR  65   2.614   8.252   1.663
  477    HD1  TYR  65           HD1      TYR  65   2.202   8.594   5.119
  478    HD2  TYR  65           HD2      TYR  65   3.851  10.698   1.765
  479    HE1  TYR  65           HE1      TYR  65   3.588   9.917   6.667
  480    HE2  TYR  65           HE2      TYR  65   5.287  12.017   3.296
  481    HH   TYR  65           HH       TYR  65   5.029  11.668   6.860
  482    H    HIS  66           H        HIS  66   2.177   9.074  -0.379
  483    HA   HIS  66           HA       HIS  66  -0.213   8.516  -2.083
  484   1HB   HIS  66          1HB       HIS  66   2.245  10.257  -2.638
  485   2HB   HIS  66          2HB       HIS  66   0.908  10.047  -3.736
  486    HD1  HIS  66           HD1      HIS  66   2.057  12.215  -0.957
  487    HD2  HIS  66           HD2      HIS  66  -1.626  10.600  -2.198
  488    HE1  HIS  66           HE1      HIS  66   0.210  13.350   0.450
  489    HE2  HIS  66           HE2      HIS  66  -1.991  12.279  -0.312
  490    H    ALA  67           H        ALA  67   0.156   7.460  -4.144
  491    HA   ALA  67           HA       ALA  67   2.302   5.413  -4.062
  492   1HB   ALA  67          1HB       ALA  67   0.012   4.700  -4.594
  493   2HB   ALA  67          2HB       ALA  67  -0.038   5.839  -5.966
  494   3HB   ALA  67          3HB       ALA  67   1.099   4.481  -5.982
  495    H    ARG  68           H        ARG  68   3.941   5.250  -5.482
  496    HA   ARG  68           HA       ARG  68   4.500   7.429  -7.465
  497   1HB   ARG  68          1HB       ARG  68   6.177   7.299  -5.692
  498   2HB   ARG  68          2HB       ARG  68   6.259   5.594  -5.831
  499   1HG   ARG  68          1HG       ARG  68   8.237   6.305  -6.719
  500   2HG   ARG  68          2HG       ARG  68   7.297   5.903  -8.119
  501   1HD   ARG  68          1HD       ARG  68   8.564   7.995  -8.461
  502   2HD   ARG  68          2HD       ARG  68   6.835   8.355  -8.462
  503    HE   ARG  68           HE       ARG  68   7.157   9.783  -6.723
  504   1HH1  ARG  68          1HH1      ARG  68   9.643   7.259  -6.076
  505   2HH1  ARG  68          2HH1      ARG  68  10.316   8.144  -4.833
  506   1HH2  ARG  68          1HH2      ARG  68   8.124  10.836  -5.034
  507   2HH2  ARG  68          2HH2      ARG  68   9.594  10.186  -4.337
  508    H    VAL  69           H        VAL  69   4.715   6.701  -9.598
  509    HA   VAL  69           HA       VAL  69   4.114   3.857 -10.155
  510    HB   VAL  69           HB       VAL  69   4.183   4.876 -12.549
  511   1HG1  VAL  69          1HG1      VAL  69   2.182   3.982 -11.461
  512   2HG1  VAL  69          2HG1      VAL  69   1.932   5.528 -10.619
  513   3HG1  VAL  69          3HG1      VAL  69   1.786   5.436 -12.389
  514   1HG2  VAL  69          1HG2      VAL  69   5.084   7.122 -11.967
  515   2HG2  VAL  69          2HG2      VAL  69   3.535   7.182 -12.821
  516   3HG2  VAL  69          3HG2      VAL  69   3.585   7.459 -11.072
  517    H    LEU  70           H        LEU  70   5.615   2.437 -10.303
  518    HA   LEU  70           HA       LEU  70   8.264   3.149 -11.346
  519   1HB   LEU  70          1HB       LEU  70   9.004   1.210 -10.577
  520   2HB   LEU  70          2HB       LEU  70   7.757   1.570  -9.440
  521    HG   LEU  70           HG       LEU  70   6.324  -0.134 -10.874
  522   1HD1  LEU  70          1HD1      LEU  70   9.190  -1.195 -11.275
  523   2HD1  LEU  70          2HD1      LEU  70   7.684  -1.985 -11.779
  524   3HD1  LEU  70          3HD1      LEU  70   8.250  -0.523 -12.597
  525   1HD2  LEU  70          1HD2      LEU  70   7.085  -1.909  -9.329
  526   2HD2  LEU  70          2HD2      LEU  70   8.585  -1.014  -9.001
  527   3HD2  LEU  70          3HD2      LEU  70   7.036  -0.364  -8.477
  528    H    LYS  71           H        LYS  71   7.628   4.043 -13.329
  529    HA   LYS  71           HA       LYS  71   6.915   2.088 -15.444
  530   1HB   LYS  71          1HB       LYS  71   5.174   4.468 -14.662
  531   2HB   LYS  71          2HB       LYS  71   5.113   3.702 -16.248
  532   1HG   LYS  71          1HG       LYS  71   4.595   1.515 -15.139
  533   2HG   LYS  71          2HG       LYS  71   4.414   2.384 -13.599
  534   1HD   LYS  71          1HD       LYS  71   2.594   3.703 -14.440
  535   2HD   LYS  71          2HD       LYS  71   2.825   3.115 -16.092
  536   1HE   LYS  71          1HE       LYS  71   2.065   1.346 -13.718
  537   2HE   LYS  71          2HE       LYS  71   0.905   2.041 -14.866
  538   1HZ   LYS  71          1HZ       LYS  71   3.088   0.174 -15.582
  539   2HZ   LYS  71          2HZ       LYS  71   1.480  -0.195 -15.544
  540   3HZ   LYS  71          3HZ       LYS  71   2.061   0.874 -16.650
  541    H    GLN  72           H        GLN  72   8.008   2.431 -17.172
  542    HA   GLN  72           HA       GLN  72   7.663   5.145 -18.278
  543   1HB   GLN  72          1HB       GLN  72  10.086   4.224 -18.532
  544   2HB   GLN  72          2HB       GLN  72   9.383   3.004 -19.585
  545   1HG   GLN  72          1HG       GLN  72   8.393   5.536 -20.532
  546   2HG   GLN  72          2HG       GLN  72  10.069   5.805 -20.116
  547   1HE2  GLN  72          1HE2      GLN  72   8.094   4.831 -22.743
  548   2HE2  GLN  72          2HE2      GLN  72   9.378   3.947 -23.553
  549    H    GLN  73           H        GLN  73   6.773   4.711 -20.670
  550    HA   GLN  73           HA       GLN  73   5.673   2.167 -21.308
  551   1HB   GLN  73          1HB       GLN  73   3.956   4.057 -19.833
  552   2HB   GLN  73          2HB       GLN  73   3.321   3.775 -21.449
  553   1HG   GLN  73          1HG       GLN  73   3.142   1.412 -21.093
  554   2HG   GLN  73          2HG       GLN  73   4.119   1.470 -19.624
  555   1HE2  GLN  73          1HE2      GLN  73   1.151   3.293 -20.744
  556   2HE2  GLN  73          2HE2      GLN  73   0.287   2.933 -19.262
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1  -7.085 -14.258  -6.253
    2   2H    MET   1          2H        MET   1  -6.856 -15.759  -5.587
    3   3H    MET   1          3H        MET   1  -6.673 -15.522  -7.209
    4    HA   MET   1           HA       MET   1  -4.990 -14.290  -5.149
    5   1HB   MET   1          1HB       MET   1  -4.264 -16.549  -7.070
    6   2HB   MET   1          2HB       MET   1  -3.192 -15.773  -5.904
    7   1HG   MET   1          1HG       MET   1  -3.803 -17.777  -4.867
    8   2HG   MET   1          2HG       MET   1  -4.763 -16.538  -4.069
    9   1HE   MET   1          1HE       MET   1  -4.694 -19.893  -5.912
   10   2HE   MET   1          2HE       MET   1  -6.261 -20.009  -6.735
   11   3HE   MET   1          3HE       MET   1  -5.025 -18.884  -7.340
   12    H    ALA   2           H        ALA   2  -2.896 -13.473  -6.277
   13    HA   ALA   2           HA       ALA   2  -1.567 -12.708  -7.925
   14   1HB   ALA   2          1HB       ALA   2  -2.331 -14.693  -9.211
   15   2HB   ALA   2          2HB       ALA   2  -3.631 -13.706  -9.932
   16   3HB   ALA   2          3HB       ALA   2  -1.938 -13.303 -10.236
   17    H    GLN   3           H        GLN   3  -4.918 -11.549  -8.125
   18    HA   GLN   3           HA       GLN   3  -4.275  -9.281  -9.747
   19   1HB   GLN   3          1HB       GLN   3  -6.579 -10.351  -9.285
   20   2HB   GLN   3          2HB       GLN   3  -6.554  -9.509  -7.737
   21   1HG   GLN   3          1HG       GLN   3  -7.833  -8.155  -9.190
   22   2HG   GLN   3          2HG       GLN   3  -6.277  -7.325  -9.088
   23   1HE2  GLN   3          1HE2      GLN   3  -8.321  -7.105 -11.269
   24   2HE2  GLN   3          2HE2      GLN   3  -7.437  -7.651 -12.691
   25    H    THR   4           H        THR   4  -3.105  -7.521  -9.257
   26    HA   THR   4           HA       THR   4  -2.700  -6.611  -6.496
   27    HB   THR   4           HB       THR   4  -1.373  -8.703  -6.773
   28    HG1  THR   4           HG1      THR   4  -0.558  -6.796  -5.571
   29   1HG2  THR   4          1HG2      THR   4   0.504  -8.851  -8.281
   30   2HG2  THR   4          2HG2      THR   4  -0.874  -8.387  -9.291
   31   3HG2  THR   4          3HG2      THR   4   0.313  -7.168  -8.813
   32    H    ILE   5           H        ILE   5  -1.307  -4.867  -6.258
   33    HA   ILE   5           HA       ILE   5  -0.408  -3.476  -8.723
   34    HB   ILE   5           HB       ILE   5  -1.084  -2.072  -6.111
   35   1HG1  ILE   5          1HG1      ILE   5  -3.224  -2.799  -7.052
   36   2HG1  ILE   5          2HG1      ILE   5  -3.027  -1.063  -7.093
   37   1HG2  ILE   5          1HG2      ILE   5   0.652  -0.983  -7.432
   38   2HG2  ILE   5          2HG2      ILE   5  -0.344  -1.044  -8.887
   39   3HG2  ILE   5          3HG2      ILE   5  -0.836  -0.028  -7.516
   40   1HD1  ILE   5          1HD1      ILE   5  -2.651  -2.877  -9.515
   41   2HD1  ILE   5          2HD1      ILE   5  -4.111  -1.950  -9.131
   42   3HD1  ILE   5          3HD1      ILE   5  -2.605  -1.099  -9.507
   43    H    ASN   6           H        ASN   6   1.728  -3.635  -8.809
   44    HA   ASN   6           HA       ASN   6   3.330  -3.345  -6.328
   45   1HB   ASN   6          1HB       ASN   6   5.218  -4.337  -7.390
   46   2HB   ASN   6          2HB       ASN   6   3.878  -5.467  -7.543
   47   1HD2  ASN   6          1HD2      ASN   6   2.760  -5.570  -9.701
   48   2HD2  ASN   6          2HD2      ASN   6   3.699  -5.103 -11.120
   49    H    LEU   7           H        LEU   7   4.520  -1.488  -6.211
   50    HA   LEU   7           HA       LEU   7   4.979   0.269  -8.460
   51   1HB   LEU   7          1HB       LEU   7   3.444   1.933  -8.046
   52   2HB   LEU   7          2HB       LEU   7   2.490   0.478  -8.019
   53    HG   LEU   7           HG       LEU   7   3.402   2.121  -5.652
   54   1HD1  LEU   7          1HD1      LEU   7   1.027   2.630  -5.385
   55   2HD1  LEU   7          2HD1      LEU   7   1.628   3.121  -6.983
   56   3HD1  LEU   7          3HD1      LEU   7   0.646   1.650  -6.814
   57   1HD2  LEU   7          1HD2      LEU   7   1.799  -0.454  -5.574
   58   2HD2  LEU   7          2HD2      LEU   7   3.351  -0.100  -4.783
   59   3HD2  LEU   7          3HD2      LEU   7   1.888   0.712  -4.237
   60    H    GLN   8           H        GLN   8   5.478   2.632  -7.319
   61    HA   GLN   8           HA       GLN   8   7.161   2.142  -4.911
   62   1HB   GLN   8          1HB       GLN   8   7.553   3.956  -7.285
   63   2HB   GLN   8          2HB       GLN   8   8.074   4.495  -5.680
   64   1HG   GLN   8          1HG       GLN   8   9.469   2.532  -5.391
   65   2HG   GLN   8          2HG       GLN   8   9.017   1.900  -6.954
   66   1HE2  GLN   8          1HE2      GLN   8  11.684   2.863  -5.791
   67   2HE2  GLN   8          2HE2      GLN   8  12.159   4.267  -6.660
   68    H    LEU   9           H        LEU   9   7.184   3.819  -3.356
   69    HA   LEU   9           HA       LEU   9   4.504   5.104  -3.135
   70   1HB   LEU   9          1HB       LEU   9   5.999   3.218  -1.495
   71   2HB   LEU   9          2HB       LEU   9   5.735   4.722  -0.597
   72    HG   LEU   9           HG       LEU   9   3.290   4.532  -1.073
   73   1HD1  LEU   9          1HD1      LEU   9   2.499   2.241  -1.906
   74   2HD1  LEU   9          2HD1      LEU   9   3.184   3.305  -3.134
   75   3HD1  LEU   9          3HD1      LEU   9   4.159   1.976  -2.481
   76   1HD2  LEU   9          1HD2      LEU   9   2.972   2.528   0.440
   77   2HD2  LEU   9          2HD2      LEU   9   4.675   2.113   0.201
   78   3HD2  LEU   9          3HD2      LEU   9   4.233   3.631   1.011
   79    H    GLU  10           H        GLU  10   4.328   7.144  -2.916
   80    HA   GLU  10           HA       GLU  10   6.644   8.990  -2.975
   81   1HB   GLU  10          1HB       GLU  10   4.806   9.202  -4.594
   82   2HB   GLU  10          2HB       GLU  10   3.634   9.304  -3.308
   83   1HG   GLU  10          1HG       GLU  10   5.845  11.356  -3.698
   84   2HG   GLU  10          2HG       GLU  10   4.302  11.447  -4.545
   85    H    GLY  11           H        GLY  11   6.687  10.795  -1.421
   86   1HA   GLY  11          1HA       GLY  11   6.403  11.836   0.577
   87   2HA   GLY  11          2HA       GLY  11   4.947  10.860   0.819
   88    H    MET  12           H        MET  12   6.763   8.362   0.679
   89    HA   MET  12           HA       MET  12   7.013   7.415   3.104
   90   1HB   MET  12          1HB       MET  12   9.110   7.278   0.927
   91   2HB   MET  12          2HB       MET  12   9.425   6.539   2.492
   92   1HG   MET  12          1HG       MET  12   7.256   5.253   2.264
   93   2HG   MET  12          2HG       MET  12   7.217   5.807   0.577
   94   1HE   MET  12          1HE       MET  12   8.502   1.920   0.666
   95   2HE   MET  12          2HE       MET  12   7.650   2.590   2.076
   96   3HE   MET  12          3HE       MET  12   7.074   2.926   0.427
   97    H    ARG  13           H        ARG  13   7.680   7.920   5.073
   98    HA   ARG  13           HA       ARG  13  10.194   9.361   5.543
   99   1HB   ARG  13          1HB       ARG  13   7.991  10.898   4.964
  100   2HB   ARG  13          2HB       ARG  13   7.891  10.863   6.714
  101   1HG   ARG  13          1HG       ARG  13  10.116  11.822   6.913
  102   2HG   ARG  13          2HG       ARG  13  10.456  11.515   5.202
  103   1HD   ARG  13          1HD       ARG  13   8.604  13.108   4.585
  104   2HD   ARG  13          2HD       ARG  13   8.424  13.496   6.300
  105    HE   ARG  13           HE       ARG  13  10.327  14.802   6.199
  106   1HH1  ARG  13          1HH1      ARG  13  10.301  12.779   3.286
  107   2HH1  ARG  13          2HH1      ARG  13  11.684  13.568   2.604
  108   1HH2  ARG  13          1HH2      ARG  13  12.141  15.762   5.285
  109   2HH2  ARG  13          2HH2      ARG  13  12.719  15.244   3.735
  110    H    CYS  14           H        CYS  14   8.299   7.001   6.727
  111    HA   CYS  14           HA       CYS  14   9.809   6.846   9.172
  112   1HB   CYS  14          1HB       CYS  14   8.055   8.500   9.895
  113   2HB   CYS  14          2HB       CYS  14   6.804   7.330   9.434
  114    HG   CYS  14           HG       CYS  14   9.002   7.391  11.864
  115    H    ALA  15           H        ALA  15  10.144   4.707   9.489
  116    HA   ALA  15           HA       ALA  15   8.912   2.666   7.963
  117   1HB   ALA  15          1HB       ALA  15  11.145   2.487   9.003
  118   2HB   ALA  15          2HB       ALA  15  10.404   2.475  10.625
  119   3HB   ALA  15          3HB       ALA  15  10.101   1.143   9.494
  120    H    ALA  16           H        ALA  16   7.927   3.992  11.132
  121    HA   ALA  16           HA       ALA  16   6.115   1.853  11.784
  122   1HB   ALA  16          1HB       ALA  16   5.283   3.418  13.496
  123   2HB   ALA  16          2HB       ALA  16   7.055   3.396  13.471
  124   3HB   ALA  16          3HB       ALA  16   6.168   4.756  12.744
  125    H    CYS  17           H        CYS  17   5.313   5.200  10.562
  126    HA   CYS  17           HA       CYS  17   2.676   4.787   9.866
  127   1HB   CYS  17          1HB       CYS  17   4.778   6.460   8.410
  128   2HB   CYS  17          2HB       CYS  17   3.027   6.710   8.374
  129    HG   CYS  17           HG       CYS  17   3.837   8.573   9.915
  130    H    ALA  18           H        ALA  18   5.589   3.963   7.916
  131    HA   ALA  18           HA       ALA  18   4.159   3.105   5.593
  132   1HB   ALA  18          1HB       ALA  18   6.562   3.649   5.591
  133   2HB   ALA  18          2HB       ALA  18   6.895   2.268   6.655
  134   3HB   ALA  18          3HB       ALA  18   6.286   1.997   5.013
  135    H    SER  19           H        SER  19   5.608   0.963   8.188
  136    HA   SER  19           HA       SER  19   4.309  -1.406   7.266
  137   1HB   SER  19          1HB       SER  19   5.108  -0.615  10.097
  138   2HB   SER  19          2HB       SER  19   4.734  -2.263   9.550
  139    HG   SER  19           HG       SER  19   7.047  -1.500   9.561
  140    H    SER  20           H        SER  20   2.989   1.212   9.258
  141    HA   SER  20           HA       SER  20   0.631  -0.176  10.082
  142   1HB   SER  20          1HB       SER  20   1.674   2.082  10.896
  143   2HB   SER  20          2HB       SER  20   0.615   2.792   9.671
  144    HG   SER  20           HG       SER  20  -0.403   2.682  11.645
  145    H    ILE  21           H        ILE  21   1.482   0.910   6.933
  146    HA   ILE  21           HA       ILE  21  -1.238   1.026   5.768
  147    HB   ILE  21           HB       ILE  21   1.493   0.627   4.479
  148   1HG1  ILE  21          1HG1      ILE  21  -0.124   3.204   4.494
  149   2HG1  ILE  21          2HG1      ILE  21   1.078   2.860   5.722
  150   1HG2  ILE  21          1HG2      ILE  21   0.346   1.299   2.370
  151   2HG2  ILE  21          2HG2      ILE  21  -0.167  -0.250   3.005
  152   3HG2  ILE  21          3HG2      ILE  21  -1.206   1.167   3.218
  153   1HD1  ILE  21          1HD1      ILE  21   2.143   4.184   4.078
  154   2HD1  ILE  21          2HD1      ILE  21   2.805   2.547   3.921
  155   3HD1  ILE  21          3HD1      ILE  21   1.611   3.141   2.760
  156    H    GLU  22           H        GLU  22   1.425  -1.393   5.954
  157    HA   GLU  22           HA       GLU  22   0.255  -3.287   4.166
  158   1HB   GLU  22          1HB       GLU  22   2.250  -3.580   6.452
  159   2HB   GLU  22          2HB       GLU  22   1.925  -4.846   5.288
  160   1HG   GLU  22          1HG       GLU  22   2.684  -2.233   4.051
  161   2HG   GLU  22          2HG       GLU  22   3.903  -2.921   5.109
  162    H    ARG  23           H        ARG  23   0.293  -2.979   7.683
  163    HA   ARG  23           HA       ARG  23  -1.445  -5.188   8.251
  164   1HB   ARG  23          1HB       ARG  23  -1.096  -4.628  10.422
  165   2HB   ARG  23          2HB       ARG  23   0.414  -4.252   9.627
  166   1HG   ARG  23          1HG       ARG  23   0.354  -2.373  10.852
  167   2HG   ARG  23          2HG       ARG  23  -0.798  -1.779   9.647
  168   1HD   ARG  23          1HD       ARG  23  -2.676  -2.340  11.069
  169   2HD   ARG  23          2HD       ARG  23  -1.646  -3.317  12.124
  170    HE   ARG  23           HE       ARG  23  -1.056  -0.413  11.943
  171   1HH1  ARG  23          1HH1      ARG  23  -2.301  -3.068  13.948
  172   2HH1  ARG  23          2HH1      ARG  23  -2.228  -2.118  15.404
  173   1HH2  ARG  23          1HH2      ARG  23  -1.006   0.733  13.852
  174   2HH2  ARG  23          2HH2      ARG  23  -1.519   0.008  15.348
  175    H    ALA  24           H        ALA  24  -2.191  -2.189   7.174
  176    HA   ALA  24           HA       ALA  24  -4.991  -2.118   8.259
  177   1HB   ALA  24          1HB       ALA  24  -3.818   0.026   8.339
  178   2HB   ALA  24          2HB       ALA  24  -3.481  -0.055   6.592
  179   3HB   ALA  24          3HB       ALA  24  -5.149   0.093   7.170
  180    H    ILE  25           H        ILE  25  -3.211  -2.276   5.113
  181    HA   ILE  25           HA       ILE  25  -5.605  -2.849   3.580
  182    HB   ILE  25           HB       ILE  25  -2.704  -3.476   2.907
  183   1HG1  ILE  25          1HG1      ILE  25  -4.531  -1.187   2.023
  184   2HG1  ILE  25          2HG1      ILE  25  -3.271  -1.020   3.242
  185   1HG2  ILE  25          1HG2      ILE  25  -3.690  -3.579   0.548
  186   2HG2  ILE  25          2HG2      ILE  25  -4.219  -4.887   1.595
  187   3HG2  ILE  25          3HG2      ILE  25  -5.296  -3.512   1.280
  188   1HD1  ILE  25          1HD1      ILE  25  -1.551  -1.621   1.546
  189   2HD1  ILE  25          2HD1      ILE  25  -2.817  -1.593   0.293
  190   3HD1  ILE  25          3HD1      ILE  25  -2.435  -0.125   1.195
  191    H    ALA  26           H        ALA  26  -3.392  -4.878   5.439
  192    HA   ALA  26           HA       ALA  26  -4.462  -7.415   5.058
  193   1HB   ALA  26          1HB       ALA  26  -2.559  -6.819   6.519
  194   2HB   ALA  26          2HB       ALA  26  -3.704  -6.133   7.704
  195   3HB   ALA  26          3HB       ALA  26  -3.731  -7.867   7.331
  196    H    LYS  27           H        LYS  27  -6.449  -4.779   6.039
  197    HA   LYS  27           HA       LYS  27  -8.585  -6.671   6.917
  198   1HB   LYS  27          1HB       LYS  27  -8.233  -3.714   7.294
  199   2HB   LYS  27          2HB       LYS  27  -9.701  -4.612   7.724
  200   1HG   LYS  27          1HG       LYS  27  -8.510  -6.094   9.214
  201   2HG   LYS  27          2HG       LYS  27  -6.932  -5.457   8.715
  202   1HD   LYS  27          1HD       LYS  27  -7.644  -3.218   9.448
  203   2HD   LYS  27          2HD       LYS  27  -9.060  -3.953  10.239
  204   1HE   LYS  27          1HE       LYS  27  -6.122  -4.717  10.694
  205   2HE   LYS  27          2HE       LYS  27  -7.048  -3.653  11.750
  206   1HZ   LYS  27          1HZ       LYS  27  -7.061  -5.942  12.595
  207   2HZ   LYS  27          2HZ       LYS  27  -8.589  -5.547  12.125
  208   3HZ   LYS  27          3HZ       LYS  27  -7.657  -6.501  11.172
  209    H    VAL  28           H        VAL  28  -7.639  -5.235   4.001
  210    HA   VAL  28           HA       VAL  28 -10.301  -4.509   2.995
  211    HB   VAL  28           HB       VAL  28  -7.686  -5.120   1.550
  212   1HG1  VAL  28          1HG1      VAL  28  -8.693  -4.147  -0.480
  213   2HG1  VAL  28          2HG1      VAL  28  -9.553  -5.607  -0.003
  214   3HG1  VAL  28          3HG1      VAL  28 -10.255  -4.006   0.337
  215   1HG2  VAL  28          1HG2      VAL  28  -7.630  -2.672   1.169
  216   2HG2  VAL  28          2HG2      VAL  28  -9.159  -2.490   2.052
  217   3HG2  VAL  28          3HG2      VAL  28  -7.698  -3.025   2.900
  218    HA   PRO  29           HA       PRO  29 -11.649  -8.629   2.870
  219   1HB   PRO  29          1HB       PRO  29 -13.717  -8.588   0.998
  220   2HB   PRO  29          2HB       PRO  29 -13.823  -7.977   2.675
  221   1HG   PRO  29          1HG       PRO  29 -13.216  -6.405   0.151
  222   2HG   PRO  29          2HG       PRO  29 -14.384  -6.004   1.453
  223   1HD   PRO  29          1HD       PRO  29 -11.947  -4.874   1.420
  224   2HD   PRO  29          2HD       PRO  29 -12.625  -5.449   2.969
  225    H    GLY  30           H        GLY  30 -10.544  -7.213  -0.178
  226   1HA   GLY  30          1HA       GLY  30 -10.206  -9.841  -1.463
  227   2HA   GLY  30          2HA       GLY  30  -9.749  -8.246  -2.105
  228    H    VAL  31           H        VAL  31  -8.352  -8.348   0.936
  229    HA   VAL  31           HA       VAL  31  -5.663  -8.318  -0.098
  230    HB   VAL  31           HB       VAL  31  -6.445  -7.277   1.999
  231   1HG1  VAL  31          1HG1      VAL  31  -5.788  -9.933   3.335
  232   2HG1  VAL  31          2HG1      VAL  31  -6.345  -8.430   4.089
  233   3HG1  VAL  31          3HG1      VAL  31  -7.446  -9.364   3.069
  234   1HG2  VAL  31          1HG2      VAL  31  -4.198  -7.386   2.945
  235   2HG2  VAL  31          2HG2      VAL  31  -3.875  -8.919   2.123
  236   3HG2  VAL  31          3HG2      VAL  31  -4.085  -7.423   1.191
  237    H    GLN  32           H        GLN  32  -4.198  -9.823  -0.455
  238    HA   GLN  32           HA       GLN  32  -4.499 -12.542   0.729
  239   1HB   GLN  32          1HB       GLN  32  -4.438 -13.654  -1.365
  240   2HB   GLN  32          2HB       GLN  32  -5.696 -12.442  -1.459
  241   1HG   GLN  32          1HG       GLN  32  -4.776 -11.794  -3.429
  242   2HG   GLN  32          2HG       GLN  32  -3.543 -11.038  -2.492
  243   1HE2  GLN  32          1HE2      GLN  32  -1.791 -13.085  -1.655
  244   2HE2  GLN  32          2HE2      GLN  32  -1.238 -13.956  -3.065
  245    H    SER  33           H        SER  33  -2.312 -10.023  -0.308
  246    HA   SER  33           HA       SER  33  -0.270 -10.974   1.353
  247   1HB   SER  33          1HB       SER  33   0.170 -11.703  -1.557
  248   2HB   SER  33          2HB       SER  33   1.521 -11.286  -0.496
  249    HG   SER  33           HG       SER  33  -0.413 -13.221   0.220
  250    H    CYS  34           H        CYS  34   0.954  -9.307   1.866
  251    HA   CYS  34           HA       CYS  34   1.168  -6.876   0.163
  252   1HB   CYS  34          1HB       CYS  34   1.506  -6.762   3.148
  253   2HB   CYS  34          2HB       CYS  34   0.855  -5.558   2.060
  254    HG   CYS  34           HG       CYS  34  -0.981  -6.197   3.814
  255    H    GLN  35           H        GLN  35   3.246  -5.591   0.832
  256    HA   GLN  35           HA       GLN  35   5.474  -6.481   2.042
  257   1HB   GLN  35          1HB       GLN  35   5.171  -7.936  -0.515
  258   2HB   GLN  35          2HB       GLN  35   6.711  -7.115  -0.377
  259   1HG   GLN  35          1HG       GLN  35   7.438  -8.336   1.409
  260   2HG   GLN  35          2HG       GLN  35   5.835  -8.680   2.037
  261   1HE2  GLN  35          1HE2      GLN  35   4.403 -10.049   0.532
  262   2HE2  GLN  35          2HE2      GLN  35   5.238 -11.449  -0.189
  263    H    VAL  36           H        VAL  36   5.946  -4.451   2.430
  264    HA   VAL  36           HA       VAL  36   6.789  -2.618   0.265
  265    HB   VAL  36           HB       VAL  36   5.239  -1.877   2.098
  266   1HG1  VAL  36          1HG1      VAL  36   7.700  -1.776   3.896
  267   2HG1  VAL  36          2HG1      VAL  36   6.042  -1.289   4.287
  268   3HG1  VAL  36          3HG1      VAL  36   6.426  -2.999   4.041
  269   1HG2  VAL  36          1HG2      VAL  36   6.469  -0.238   0.747
  270   2HG2  VAL  36          2HG2      VAL  36   6.245   0.324   2.404
  271   3HG2  VAL  36          3HG2      VAL  36   7.828  -0.290   1.892
  272    H    ASN  37           H        ASN  37   8.820  -1.824   0.008
  273    HA   ASN  37           HA       ASN  37  11.017  -2.986   1.698
  274   1HB   ASN  37          1HB       ASN  37  10.905  -3.812  -0.632
  275   2HB   ASN  37          2HB       ASN  37  11.135  -2.163  -1.224
  276   1HD2  ASN  37          1HD2      ASN  37  12.789  -4.951  -0.794
  277   2HD2  ASN  37          2HD2      ASN  37  14.382  -4.307  -0.389
  278    H    PHE  38           H        PHE  38  11.261  -1.400   3.203
  279    HA   PHE  38           HA       PHE  38  11.178   1.414   2.531
  280   1HB   PHE  38          1HB       PHE  38  10.340   0.214   4.657
  281   2HB   PHE  38          2HB       PHE  38  12.015   0.244   5.194
  282    HD1  PHE  38           HD1      PHE  38   9.108   2.350   4.140
  283    HD2  PHE  38           HD2      PHE  38  12.953   2.312   6.087
  284    HE1  PHE  38           HE1      PHE  38   8.763   4.690   4.862
  285    HE2  PHE  38           HE2      PHE  38  12.612   4.657   6.803
  286    HZ   PHE  38           HZ       PHE  38  10.534   5.865   6.172
  287    H    ALA  39           H        ALA  39  13.119   0.406   0.962
  288    HA   ALA  39           HA       ALA  39  15.406   2.087   1.684
  289   1HB   ALA  39          1HB       ALA  39  16.060  -0.095   2.653
  290   2HB   ALA  39          2HB       ALA  39  15.759  -0.895   1.093
  291   3HB   ALA  39          3HB       ALA  39  17.063   0.301   1.245
  292    H    LEU  40           H        LEU  40  13.961  -0.212  -0.765
  293    HA   LEU  40           HA       LEU  40  14.926   1.519  -2.927
  294   1HB   LEU  40          1HB       LEU  40  15.744  -0.703  -2.944
  295   2HB   LEU  40          2HB       LEU  40  14.210  -1.380  -2.412
  296    HG   LEU  40           HG       LEU  40  13.204  -0.960  -4.466
  297   1HD1  LEU  40          1HD1      LEU  40  14.519  -0.380  -6.534
  298   2HD1  LEU  40          2HD1      LEU  40  14.628   0.947  -5.370
  299   3HD1  LEU  40          3HD1      LEU  40  15.980  -0.181  -5.542
  300   1HD2  LEU  40          1HD2      LEU  40  15.786  -2.559  -4.712
  301   2HD2  LEU  40          2HD2      LEU  40  14.255  -3.132  -4.017
  302   3HD2  LEU  40          3HD2      LEU  40  14.359  -2.762  -5.749
  303    H    GLU  41           H        GLU  41  12.359   1.623  -1.040
  304    HA   GLU  41           HA       GLU  41  10.484   2.841  -1.116
  305   1HB   GLU  41          1HB       GLU  41  11.073   3.490  -4.003
  306   2HB   GLU  41          2HB       GLU  41  10.088   4.410  -2.886
  307   1HG   GLU  41          1HG       GLU  41  12.061   5.061  -1.609
  308   2HG   GLU  41          2HG       GLU  41  13.111   4.110  -2.678
  309    H    GLN  42           H        GLN  42  10.609   0.010  -2.973
  310    HA   GLN  42           HA       GLN  42   8.042   0.417  -4.256
  311   1HB   GLN  42          1HB       GLN  42   7.968  -1.726  -4.993
  312   2HB   GLN  42          2HB       GLN  42   9.603  -1.219  -5.175
  313   1HG   GLN  42          1HG       GLN  42   9.048  -2.715  -2.580
  314   2HG   GLN  42          2HG       GLN  42   8.506  -3.582  -3.980
  315   1HE2  GLN  42          1HE2      GLN  42  11.112  -2.165  -5.423
  316   2HE2  GLN  42          2HE2      GLN  42  12.337  -3.280  -4.817
  317    H    ALA  43           H        ALA  43   6.072  -0.488  -3.850
  318    HA   ALA  43           HA       ALA  43   5.854  -2.243  -1.518
  319   1HB   ALA  43          1HB       ALA  43   3.653  -0.270  -2.259
  320   2HB   ALA  43          2HB       ALA  43   3.613  -1.476  -0.957
  321   3HB   ALA  43          3HB       ALA  43   4.725  -0.102  -0.841
  322    H    VAL  44           H        VAL  44   4.531  -3.911  -1.832
  323    HA   VAL  44           HA       VAL  44   2.930  -4.014  -4.318
  324    HB   VAL  44           HB       VAL  44   4.817  -5.399  -4.883
  325   1HG1  VAL  44          1HG1      VAL  44   5.621  -6.187  -2.702
  326   2HG1  VAL  44          2HG1      VAL  44   4.182  -7.227  -2.540
  327   3HG1  VAL  44          3HG1      VAL  44   5.363  -7.518  -3.825
  328   1HG2  VAL  44          1HG2      VAL  44   2.525  -6.005  -5.678
  329   2HG2  VAL  44          2HG2      VAL  44   3.631  -7.385  -5.604
  330   3HG2  VAL  44          3HG2      VAL  44   2.396  -7.171  -4.349
  331    H    VAL  45           H        VAL  45   0.895  -4.459  -3.960
  332    HA   VAL  45           HA       VAL  45   0.340  -6.403  -1.833
  333    HB   VAL  45           HB       VAL  45  -1.554  -4.046  -1.852
  334   1HG1  VAL  45          1HG1      VAL  45  -1.112  -6.472  -0.053
  335   2HG1  VAL  45          2HG1      VAL  45  -2.118  -5.115   0.421
  336   3HG1  VAL  45          3HG1      VAL  45  -2.558  -6.083  -0.990
  337   1HG2  VAL  45          1HG2      VAL  45  -0.581  -3.349   0.297
  338   2HG2  VAL  45          2HG2      VAL  45   0.732  -4.517   0.080
  339   3HG2  VAL  45          3HG2      VAL  45   0.551  -3.152  -1.043
  340    H    SER  46           H        SER  46  -1.143  -7.722  -2.193
  341    HA   SER  46           HA       SER  46  -2.766  -7.621  -4.704
  342   1HB   SER  46          1HB       SER  46  -2.534 -10.048  -4.798
  343   2HB   SER  46          2HB       SER  46  -0.985  -9.240  -4.837
  344    HG   SER  46           HG       SER  46  -0.829  -9.612  -2.512
  345    H    TYR  47           H        TYR  47  -4.840  -7.275  -4.322
  346    HA   TYR  47           HA       TYR  47  -6.191  -7.985  -1.919
  347   1HB   TYR  47          1HB       TYR  47  -6.396  -5.849  -0.850
  348   2HB   TYR  47          2HB       TYR  47  -4.755  -6.390  -0.923
  349    HD1  TYR  47           HD1      TYR  47  -6.474  -3.520  -0.831
  350    HD2  TYR  47           HD2      TYR  47  -3.566  -5.437  -3.329
  351    HE1  TYR  47           HE1      TYR  47  -5.515  -1.310  -1.419
  352    HE2  TYR  47           HE2      TYR  47  -2.651  -3.231  -3.988
  353    HH   TYR  47           HH       TYR  47  -3.853  -0.182  -2.627
  354    H    HIS  48           H        HIS  48  -6.770  -8.103  -4.717
  355    HA   HIS  48           HA       HIS  48  -9.242  -6.400  -4.907
  356   1HB   HIS  48          1HB       HIS  48  -7.275  -7.154  -7.070
  357   2HB   HIS  48          2HB       HIS  48  -8.686  -6.099  -7.266
  358    HD2  HIS  48           HD2      HIS  48  -5.135  -6.232  -5.803
  359    HE1  HIS  48           HE1      HIS  48  -6.427  -2.160  -5.525
  360    HE2  HIS  48           HE2      HIS  48  -4.445  -3.729  -5.260
  361    H    GLY  49           H        GLY  49 -11.081  -7.315  -5.679
  362   1HA   GLY  49          1HA       GLY  49 -11.429  -9.530  -7.381
  363   2HA   GLY  49          2HA       GLY  49 -11.343 -10.196  -5.757
  364    H    GLU  50           H        GLU  50 -12.835  -7.131  -6.884
  365    HA   GLU  50           HA       GLU  50 -15.559  -7.771  -6.407
  366   1HB   GLU  50          1HB       GLU  50 -14.779  -8.075  -4.114
  367   2HB   GLU  50          2HB       GLU  50 -14.019  -6.517  -4.101
  368   1HG   GLU  50          1HG       GLU  50 -16.915  -6.342  -4.712
  369   2HG   GLU  50          2HG       GLU  50 -16.604  -7.249  -3.238
  370    H    THR  51           H        THR  51 -15.823  -4.757  -5.409
  371    HA   THR  51           HA       THR  51 -15.409  -3.590  -8.113
  372    HB   THR  51           HB       THR  51 -17.665  -3.411  -7.116
  373    HG1  THR  51           HG1      THR  51 -16.021  -1.258  -7.725
  374   1HG2  THR  51          1HG2      THR  51 -18.066  -1.699  -5.362
  375   2HG2  THR  51          2HG2      THR  51 -17.228  -3.118  -4.734
  376   3HG2  THR  51          3HG2      THR  51 -16.324  -1.620  -5.036
  377    H    THR  52           H        THR  52 -13.921  -3.659  -5.059
  378    HA   THR  52           HA       THR  52 -12.388  -1.948  -4.162
  379    HB   THR  52           HB       THR  52 -10.223  -3.044  -4.826
  380    HG1  THR  52           HG1      THR  52 -11.009  -3.579  -6.908
  381   1HG2  THR  52          1HG2      THR  52 -12.505  -4.902  -4.043
  382   2HG2  THR  52          2HG2      THR  52 -10.774  -5.166  -3.752
  383   3HG2  THR  52          3HG2      THR  52 -11.618  -3.846  -2.931
  384    HA   PRO  53           HA       PRO  53 -11.564   0.949  -7.627
  385   1HB   PRO  53          1HB       PRO  53 -12.933   3.121  -6.821
  386   2HB   PRO  53          2HB       PRO  53 -13.798   1.622  -7.245
  387   1HG   PRO  53          1HG       PRO  53 -12.984   2.542  -4.462
  388   2HG   PRO  53          2HG       PRO  53 -14.615   2.051  -5.026
  389   1HD   PRO  53          1HD       PRO  53 -12.832   0.314  -3.811
  390   2HD   PRO  53          2HD       PRO  53 -14.047  -0.202  -5.012
  391    H    GLN  54           H        GLN  54 -11.170   3.781  -6.699
  392    HA   GLN  54           HA       GLN  54  -8.434   3.767  -6.016
  393   1HB   GLN  54          1HB       GLN  54  -9.695   5.534  -7.225
  394   2HB   GLN  54          2HB       GLN  54 -10.400   6.063  -5.689
  395   1HG   GLN  54          1HG       GLN  54  -8.237   6.708  -4.834
  396   2HG   GLN  54          2HG       GLN  54  -7.384   5.897  -6.148
  397   1HE2  GLN  54          1HE2      GLN  54  -7.332   8.768  -5.203
  398   2HE2  GLN  54          2HE2      GLN  54  -7.687   9.660  -6.684
  399    H    ILE  55           H        ILE  55 -10.879   2.978  -3.870
  400    HA   ILE  55           HA       ILE  55  -9.706   3.721  -1.324
  401    HB   ILE  55           HB       ILE  55 -11.328   1.313  -2.246
  402   1HG1  ILE  55          1HG1      ILE  55 -12.170   3.758  -0.611
  403   2HG1  ILE  55          2HG1      ILE  55 -12.421   3.615  -2.344
  404   1HG2  ILE  55          1HG2      ILE  55 -10.121   0.628  -0.237
  405   2HG2  ILE  55          2HG2      ILE  55 -10.594   2.125   0.601
  406   3HG2  ILE  55          3HG2      ILE  55 -11.799   0.891   0.177
  407   1HD1  ILE  55          1HD1      ILE  55 -13.812   1.557  -1.952
  408   2HD1  ILE  55          2HD1      ILE  55 -13.730   1.908  -0.207
  409   3HD1  ILE  55          3HD1      ILE  55 -14.482   3.068  -1.307
  410    H    LEU  56           H        LEU  56  -8.559   1.697  -3.897
  411    HA   LEU  56           HA       LEU  56  -6.657   0.202  -2.384
  412   1HB   LEU  56          1HB       LEU  56  -5.685  -0.388  -4.467
  413   2HB   LEU  56          2HB       LEU  56  -7.423  -0.325  -4.669
  414    HG   LEU  56           HG       LEU  56  -6.952   2.089  -5.654
  415   1HD1  LEU  56          1HD1      LEU  56  -4.798   2.223  -6.879
  416   2HD1  LEU  56          2HD1      LEU  56  -4.486   2.163  -5.147
  417   3HD1  LEU  56          3HD1      LEU  56  -4.258   0.712  -6.121
  418   1HD2  LEU  56          1HD2      LEU  56  -6.721   1.096  -7.893
  419   2HD2  LEU  56          2HD2      LEU  56  -6.187  -0.443  -7.184
  420   3HD2  LEU  56          3HD2      LEU  56  -7.845   0.134  -6.924
  421    H    THR  57           H        THR  57  -6.607   3.543  -3.435
  422    HA   THR  57           HA       THR  57  -3.789   3.856  -2.538
  423    HB   THR  57           HB       THR  57  -3.796   6.125  -3.169
  424    HG1  THR  57           HG1      THR  57  -5.530   7.223  -3.106
  425   1HG2  THR  57          1HG2      THR  57  -4.148   6.019  -5.558
  426   2HG2  THR  57          2HG2      THR  57  -3.482   4.470  -5.000
  427   3HG2  THR  57          3HG2      THR  57  -5.214   4.611  -5.390
  428    H    ASP  58           H        ASP  58  -7.047   4.807  -1.498
  429    HA   ASP  58           HA       ASP  58  -6.781   6.523   0.505
  430   1HB   ASP  58          1HB       ASP  58  -8.847   5.332  -0.054
  431   2HB   ASP  58          2HB       ASP  58  -8.263   3.880   0.767
  432    H    ALA  59           H        ALA  59  -6.120   3.080   1.196
  433    HA   ALA  59           HA       ALA  59  -5.147   3.514   3.819
  434   1HB   ALA  59          1HB       ALA  59  -4.503   1.121   3.685
  435   2HB   ALA  59          2HB       ALA  59  -6.099   1.393   2.958
  436   3HB   ALA  59          3HB       ALA  59  -4.675   1.177   1.913
  437    H    VAL  60           H        VAL  60  -3.465   4.241   1.028
  438    HA   VAL  60           HA       VAL  60  -0.784   4.304   2.373
  439    HB   VAL  60           HB       VAL  60  -1.444   3.642  -0.237
  440   1HG1  VAL  60          1HG1      VAL  60  -1.872   6.056  -0.885
  441   2HG1  VAL  60          2HG1      VAL  60  -0.177   6.380  -0.473
  442   3HG1  VAL  60          3HG1      VAL  60  -0.580   5.255  -1.777
  443   1HG2  VAL  60          1HG2      VAL  60   1.191   4.681   0.839
  444   2HG2  VAL  60          2HG2      VAL  60   0.583   3.002   0.825
  445   3HG2  VAL  60          3HG2      VAL  60   0.973   3.802  -0.693
  446    H    GLU  61           H        GLU  61  -3.412   6.370   1.234
  447    HA   GLU  61           HA       GLU  61  -1.984   8.872   1.665
  448   1HB   GLU  61          1HB       GLU  61  -4.969   8.405   1.307
  449   2HB   GLU  61          2HB       GLU  61  -4.084   9.937   1.178
  450   1HG   GLU  61          1HG       GLU  61  -2.640   8.717  -0.626
  451   2HG   GLU  61          2HG       GLU  61  -3.904   7.495  -0.634
  452    H    ARG  62           H        ARG  62  -4.194   6.887   3.542
  453    HA   ARG  62           HA       ARG  62  -4.360   7.759   6.091
  454   1HB   ARG  62          1HB       ARG  62  -4.883   5.553   5.261
  455   2HB   ARG  62          2HB       ARG  62  -3.192   5.225   4.918
  456   1HG   ARG  62          1HG       ARG  62  -4.140   5.640   7.745
  457   2HG   ARG  62          2HG       ARG  62  -4.360   4.112   6.908
  458   1HD   ARG  62          1HD       ARG  62  -1.742   4.224   6.488
  459   2HD   ARG  62          2HD       ARG  62  -1.723   5.301   7.875
  460    HE   ARG  62           HE       ARG  62  -1.885   2.507   7.955
  461   1HH1  ARG  62          1HH1      ARG  62  -3.724   5.110   9.451
  462   2HH1  ARG  62          2HH1      ARG  62  -4.292   4.105  10.756
  463   1HH2  ARG  62          1HH2      ARG  62  -2.564   1.296   9.575
  464   2HH2  ARG  62          2HH2      ARG  62  -3.704   1.892  10.786
  465    H    ALA  63           H        ALA  63  -1.208   7.171   4.528
  466    HA   ALA  63           HA       ALA  63   0.201   7.466   7.160
  467   1HB   ALA  63          1HB       ALA  63   1.170   6.412   4.469
  468   2HB   ALA  63          2HB       ALA  63   2.088   6.417   5.981
  469   3HB   ALA  63          3HB       ALA  63   0.635   5.414   5.847
  470    H    GLY  64           H        GLY  64  -0.623   9.435   4.533
  471   1HA   GLY  64          1HA       GLY  64   0.062  11.646   4.130
  472   2HA   GLY  64          2HA       GLY  64   1.588  11.359   5.020
  473    H    TYR  65           H        TYR  65   0.752   8.776   2.896
  474    HA   TYR  65           HA       TYR  65   2.910   9.631   1.049
  475   1HB   TYR  65          1HB       TYR  65   1.963   6.886   1.950
  476   2HB   TYR  65          2HB       TYR  65   3.288   7.135   0.858
  477    HD1  TYR  65           HD1      TYR  65   4.058   9.750   2.942
  478    HD2  TYR  65           HD2      TYR  65   3.719   5.457   3.119
  479    HE1  TYR  65           HE1      TYR  65   5.291   9.765   5.039
  480    HE2  TYR  65           HE2      TYR  65   5.046   5.458   5.230
  481    HH   TYR  65           HH       TYR  65   5.964   8.562   6.782
  482    H    HIS  66           H        HIS  66   2.720   8.653  -1.258
  483    HA   HIS  66           HA       HIS  66  -0.106   8.045  -2.021
  484   1HB   HIS  66          1HB       HIS  66   1.608  10.078  -3.505
  485   2HB   HIS  66          2HB       HIS  66   0.136   9.383  -4.132
  486    HD1  HIS  66           HD1      HIS  66   1.295  11.797  -1.436
  487    HD2  HIS  66           HD2      HIS  66  -2.208  10.007  -2.971
  488    HE1  HIS  66           HE1      HIS  66  -0.725  12.842  -0.151
  489    HE2  HIS  66           HE2      HIS  66  -2.866  11.659  -1.155
  490    H    ALA  67           H        ALA  67  -0.369   7.106  -4.140
  491    HA   ALA  67           HA       ALA  67   1.551   4.965  -4.674
  492   1HB   ALA  67          1HB       ALA  67  -0.857   4.529  -4.807
  493   2HB   ALA  67          2HB       ALA  67  -1.094   5.895  -5.925
  494   3HB   ALA  67          3HB       ALA  67  -0.224   4.463  -6.465
  495    H    ARG  68           H        ARG  68   3.223   5.071  -6.144
  496    HA   ARG  68           HA       ARG  68   2.952   6.826  -8.526
  497   1HB   ARG  68          1HB       ARG  68   5.308   7.531  -8.357
  498   2HB   ARG  68          2HB       ARG  68   4.279   8.167  -7.083
  499   1HG   ARG  68          1HG       ARG  68   5.199   6.537  -5.483
  500   2HG   ARG  68          2HG       ARG  68   6.182   5.822  -6.761
  501   1HD   ARG  68          1HD       ARG  68   6.768   8.640  -6.631
  502   2HD   ARG  68          2HD       ARG  68   6.798   7.989  -4.999
  503    HE   ARG  68           HE       ARG  68   8.358   6.758  -7.230
  504   1HH1  ARG  68          1HH1      ARG  68   8.403   7.466  -3.692
  505   2HH1  ARG  68          2HH1      ARG  68  10.143   7.476  -3.750
  506   1HH2  ARG  68          1HH2      ARG  68  10.459   6.222  -6.869
  507   2HH2  ARG  68          2HH2      ARG  68  11.224   6.661  -5.378
  508    H    VAL  69           H        VAL  69   3.460   5.792 -10.417
  509    HA   VAL  69           HA       VAL  69   4.482   3.119 -10.401
  510    HB   VAL  69           HB       VAL  69   4.484   3.441 -12.836
  511   1HG1  VAL  69          1HG1      VAL  69   1.908   4.437 -11.568
  512   2HG1  VAL  69          2HG1      VAL  69   2.069   3.642 -13.146
  513   3HG1  VAL  69          3HG1      VAL  69   2.423   2.739 -11.663
  514   1HG2  VAL  69          1HG2      VAL  69   3.550   6.292 -12.333
  515   2HG2  VAL  69          2HG2      VAL  69   5.101   5.810 -13.059
  516   3HG2  VAL  69          3HG2      VAL  69   3.589   5.473 -13.906
  517    H    LEU  70           H        LEU  70   6.325   2.287 -10.923
  518    HA   LEU  70           HA       LEU  70   8.788   3.727 -10.550
  519   1HB   LEU  70          1HB       LEU  70   8.339   1.033 -11.921
  520   2HB   LEU  70          2HB       LEU  70   9.814   1.688 -11.253
  521    HG   LEU  70           HG       LEU  70   8.171   1.751  -9.031
  522   1HD1  LEU  70          1HD1      LEU  70   7.508  -0.785 -10.599
  523   2HD1  LEU  70          2HD1      LEU  70   7.071  -0.467  -8.914
  524   3HD1  LEU  70          3HD1      LEU  70   6.372   0.522 -10.218
  525   1HD2  LEU  70          1HD2      LEU  70   9.424  -0.248  -8.268
  526   2HD2  LEU  70          2HD2      LEU  70   9.967  -0.545  -9.935
  527   3HD2  LEU  70          3HD2      LEU  70  10.490   0.919  -9.071
  528    H    LYS  71           H        LYS  71   9.051   5.407 -11.921
  529    HA   LYS  71           HA       LYS  71   7.746   5.445 -14.424
  530   1HB   LYS  71          1HB       LYS  71   8.375   7.785 -14.496
  531   2HB   LYS  71          2HB       LYS  71   7.756   7.330 -12.923
  532   1HG   LYS  71          1HG       LYS  71   9.739   7.669 -11.827
  533   2HG   LYS  71          2HG       LYS  71  10.746   7.171 -13.185
  534   1HD   LYS  71          1HD       LYS  71   9.214   9.800 -13.127
  535   2HD   LYS  71          2HD       LYS  71  10.894   9.617 -12.581
  536   1HE   LYS  71          1HE       LYS  71  11.595   8.810 -14.785
  537   2HE   LYS  71          2HE       LYS  71   9.939   8.827 -15.377
  538   1HZ   LYS  71          1HZ       LYS  71  11.443  11.226 -14.513
  539   2HZ   LYS  71          2HZ       LYS  71  11.162  10.793 -16.077
  540   3HZ   LYS  71          3HZ       LYS  71   9.908  11.225 -15.108
  541    H    GLN  72           H        GLN  72   9.438   3.501 -15.005
  542    HA   GLN  72           HA       GLN  72  11.475   4.499 -16.940
  543   1HB   GLN  72          1HB       GLN  72  10.465   1.726 -16.158
  544   2HB   GLN  72          2HB       GLN  72  11.617   2.009 -17.468
  545   1HG   GLN  72          1HG       GLN  72  13.240   2.986 -15.932
  546   2HG   GLN  72          2HG       GLN  72  12.102   2.862 -14.581
  547   1HE2  GLN  72          1HE2      GLN  72  13.226   0.513 -17.162
  548   2HE2  GLN  72          2HE2      GLN  72  13.606  -0.704 -15.944
  549    H    GLN  73           H        GLN  73  11.224   3.310 -19.207
  550    HA   GLN  73           HA       GLN  73   8.636   2.679 -20.141
  551   1HB   GLN  73          1HB       GLN  73   9.519   5.481 -20.502
  552   2HB   GLN  73          2HB       GLN  73   9.306   4.678 -22.048
  553   1HG   GLN  73          1HG       GLN  73   7.196   4.888 -19.860
  554   2HG   GLN  73          2HG       GLN  73   7.250   5.810 -21.357
  555   1HE2  GLN  73          1HE2      GLN  73   4.913   4.511 -20.996
  556   2HE2  GLN  73          2HE2      GLN  73   4.884   3.056 -21.994
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1  -5.490 -12.538 -11.800
    2   2H    MET   1          2H        MET   1  -6.839 -13.317 -11.345
    3   3H    MET   1          3H        MET   1  -6.276 -13.499 -12.888
    4    HA   MET   1           HA       MET   1  -5.801 -15.472 -11.564
    5   1HB   MET   1          1HB       MET   1  -3.304 -13.817 -12.158
    6   2HB   MET   1          2HB       MET   1  -3.352 -15.568 -11.891
    7   1HG   MET   1          1HG       MET   1  -4.851 -15.811 -13.853
    8   2HG   MET   1          2HG       MET   1  -4.694 -14.081 -14.180
    9   1HE   MET   1          1HE       MET   1  -2.578 -12.907 -15.171
   10   2HE   MET   1          2HE       MET   1  -1.611 -13.371 -13.747
   11   3HE   MET   1          3HE       MET   1  -1.006 -13.704 -15.382
   12    H    ALA   2           H        ALA   2  -3.060 -15.029  -9.959
   13    HA   ALA   2           HA       ALA   2  -3.915 -13.665  -7.521
   14   1HB   ALA   2          1HB       ALA   2  -1.488 -13.301  -7.250
   15   2HB   ALA   2          2HB       ALA   2  -1.821 -14.998  -7.622
   16   3HB   ALA   2          3HB       ALA   2  -1.185 -13.913  -8.887
   17    H    GLN   3           H        GLN   3  -3.767 -11.343  -7.178
   18    HA   GLN   3           HA       GLN   3  -3.847  -9.784  -9.737
   19   1HB   GLN   3          1HB       GLN   3  -6.091 -10.982  -8.993
   20   2HB   GLN   3          2HB       GLN   3  -6.178  -9.697  -7.806
   21   1HG   GLN   3          1HG       GLN   3  -7.430  -8.997  -9.751
   22   2HG   GLN   3          2HG       GLN   3  -5.957  -8.028  -9.710
   23   1HE2  GLN   3          1HE2      GLN   3  -5.906  -7.611 -11.986
   24   2HE2  GLN   3          2HE2      GLN   3  -5.653  -8.912 -13.144
   25    H    THR   4           H        THR   4  -2.685  -7.982  -9.511
   26    HA   THR   4           HA       THR   4  -2.538  -6.566  -6.936
   27    HB   THR   4           HB       THR   4  -1.087  -8.641  -6.862
   28    HG1  THR   4           HG1      THR   4   0.645  -7.331  -6.003
   29   1HG2  THR   4          1HG2      THR   4  -0.167  -8.526  -9.194
   30   2HG2  THR   4          2HG2      THR   4   0.721  -7.054  -8.737
   31   3HG2  THR   4          3HG2      THR   4   1.080  -8.598  -7.938
   32    H    ILE   5           H        ILE   5  -1.023  -4.884  -6.942
   33    HA   ILE   5           HA       ILE   5  -0.234  -3.767  -9.574
   34    HB   ILE   5           HB       ILE   5  -0.629  -2.057  -7.092
   35   1HG1  ILE   5          1HG1      ILE   5  -2.875  -2.682  -7.619
   36   2HG1  ILE   5          2HG1      ILE   5  -2.581  -1.010  -8.048
   37   1HG2  ILE   5          1HG2      ILE   5  -0.434  -0.181  -8.708
   38   2HG2  ILE   5          2HG2      ILE   5   0.992  -1.217  -8.701
   39   3HG2  ILE   5          3HG2      ILE   5  -0.177  -1.347 -10.023
   40   1HD1  ILE   5          1HD1      ILE   5  -3.997  -2.143  -9.703
   41   2HD1  ILE   5          2HD1      ILE   5  -2.479  -1.604 -10.443
   42   3HD1  ILE   5          3HD1      ILE   5  -2.715  -3.319 -10.031
   43    H    ASN   6           H        ASN   6   2.007  -3.610  -9.621
   44    HA   ASN   6           HA       ASN   6   3.459  -3.515  -7.024
   45   1HB   ASN   6          1HB       ASN   6   5.430  -4.333  -7.995
   46   2HB   ASN   6          2HB       ASN   6   4.164  -5.470  -8.450
   47   1HD2  ASN   6          1HD2      ASN   6   3.236  -5.133 -10.779
   48   2HD2  ASN   6          2HD2      ASN   6   4.397  -4.547 -11.964
   49    H    LEU   7           H        LEU   7   4.431  -1.610  -6.590
   50    HA   LEU   7           HA       LEU   7   4.867   0.424  -8.629
   51   1HB   LEU   7          1HB       LEU   7   3.253   1.944  -8.011
   52   2HB   LEU   7          2HB       LEU   7   2.381   0.463  -8.142
   53    HG   LEU   7           HG       LEU   7   3.274   1.677  -5.480
   54   1HD1  LEU   7          1HD1      LEU   7   0.941   2.415  -5.256
   55   2HD1  LEU   7          2HD1      LEU   7   1.728   3.173  -6.649
   56   3HD1  LEU   7          3HD1      LEU   7   0.585   1.832  -6.896
   57   1HD2  LEU   7          1HD2      LEU   7   2.826  -0.736  -5.283
   58   2HD2  LEU   7          2HD2      LEU   7   1.522   0.179  -4.524
   59   3HD2  LEU   7          3HD2      LEU   7   1.275  -0.545  -6.127
   60    H    GLN   8           H        GLN   8   5.408   2.576  -7.370
   61    HA   GLN   8           HA       GLN   8   7.266   2.058  -5.098
   62   1HB   GLN   8          1HB       GLN   8   7.334   3.936  -7.403
   63   2HB   GLN   8          2HB       GLN   8   8.005   4.461  -5.848
   64   1HG   GLN   8          1HG       GLN   8   9.562   2.639  -5.797
   65   2HG   GLN   8          2HG       GLN   8   8.772   1.811  -7.125
   66   1HE2  GLN   8          1HE2      GLN   8  10.616   4.883  -6.331
   67   2HE2  GLN   8          2HE2      GLN   8  11.204   5.037  -7.962
   68    H    LEU   9           H        LEU   9   7.320   3.762  -3.502
   69    HA   LEU   9           HA       LEU   9   4.596   4.851  -3.015
   70   1HB   LEU   9          1HB       LEU   9   5.494   2.458  -1.971
   71   2HB   LEU   9          2HB       LEU   9   6.082   3.579  -0.766
   72    HG   LEU   9           HG       LEU   9   3.691   4.514  -0.654
   73   1HD1  LEU   9          1HD1      LEU   9   1.928   2.856  -1.436
   74   2HD1  LEU   9          2HD1      LEU   9   2.779   3.658  -2.764
   75   3HD1  LEU   9          3HD1      LEU   9   3.192   1.994  -2.317
   76   1HD2  LEU   9          1HD2      LEU   9   4.597   3.022   1.076
   77   2HD2  LEU   9          2HD2      LEU   9   2.899   2.622   0.758
   78   3HD2  LEU   9          3HD2      LEU   9   4.184   1.599   0.094
   79    H    GLU  10           H        GLU  10   4.673   6.873  -2.477
   80    HA   GLU  10           HA       GLU  10   7.370   8.048  -2.524
   81   1HB   GLU  10          1HB       GLU  10   5.817   8.175  -4.387
   82   2HB   GLU  10          2HB       GLU  10   4.648   9.079  -3.420
   83   1HG   GLU  10          1HG       GLU  10   6.162  10.977  -3.283
   84   2HG   GLU  10          2HG       GLU  10   7.480  10.035  -3.995
   85    H    GLY  11           H        GLY  11   8.124   9.399  -1.061
   86   1HA   GLY  11          1HA       GLY  11   8.118  11.066   0.585
   87   2HA   GLY  11          2HA       GLY  11   6.348  10.935   0.731
   88    H    MET  12           H        MET  12   7.575   7.832   0.969
   89    HA   MET  12           HA       MET  12   7.145   7.185   3.606
   90   1HB   MET  12          1HB       MET  12   9.287   6.065   1.781
   91   2HB   MET  12          2HB       MET  12   8.727   5.312   3.272
   92   1HG   MET  12          1HG       MET  12   6.428   5.127   2.294
   93   2HG   MET  12          2HG       MET  12   7.079   5.762   0.776
   94   1HE   MET  12          1HE       MET  12   6.367   2.556   2.762
   95   2HE   MET  12          2HE       MET  12   7.882   1.637   2.628
   96   3HE   MET  12          3HE       MET  12   7.851   3.152   3.561
   97    H    ARG  13           H        ARG  13   8.113   9.423   4.516
   98    HA   ARG  13           HA       ARG  13  10.847   9.799   4.460
   99   1HB   ARG  13          1HB       ARG  13   8.782  11.390   4.935
  100   2HB   ARG  13          2HB       ARG  13   9.200  11.128   6.617
  101   1HG   ARG  13          1HG       ARG  13  10.921  12.342   4.413
  102   2HG   ARG  13          2HG       ARG  13  10.193  13.169   5.790
  103   1HD   ARG  13          1HD       ARG  13  11.677  11.701   7.285
  104   2HD   ARG  13          2HD       ARG  13  12.537  11.229   5.815
  105    HE   ARG  13           HE       ARG  13  12.653  13.765   7.229
  106   1HH1  ARG  13          1HH1      ARG  13  13.318  12.252   4.097
  107   2HH1  ARG  13          2HH1      ARG  13  14.476  13.469   3.643
  108   1HH2  ARG  13          1HH2      ARG  13  14.167  15.277   6.612
  109   2HH2  ARG  13          2HH2      ARG  13  14.958  15.156   5.073
  110    H    CYS  14           H        CYS  14   9.015   8.707   7.323
  111    HA   CYS  14           HA       CYS  14  11.211   7.385   8.659
  112   1HB   CYS  14          1HB       CYS  14  11.669   9.107  10.398
  113   2HB   CYS  14          2HB       CYS  14  12.181   9.622   8.801
  114    HG   CYS  14           HG       CYS  14   9.481  10.412  10.565
  115    H    ALA  15           H        ALA  15   7.915   7.775   8.482
  116    HA   ALA  15           HA       ALA  15   7.490   7.138  11.363
  117   1HB   ALA  15          1HB       ALA  15   5.481   8.087   9.272
  118   2HB   ALA  15          2HB       ALA  15   5.183   7.822  11.000
  119   3HB   ALA  15          3HB       ALA  15   6.277   9.112  10.487
  120    H    ALA  16           H        ALA  16   6.645   5.239  11.983
  121    HA   ALA  16           HA       ALA  16   6.817   2.929  10.393
  122   1HB   ALA  16          1HB       ALA  16   5.829   1.830  12.371
  123   2HB   ALA  16          2HB       ALA  16   7.059   3.011  12.846
  124   3HB   ALA  16          3HB       ALA  16   5.331   3.405  13.017
  125    H    CYS  17           H        CYS  17   4.310   5.175  10.058
  126    HA   CYS  17           HA       CYS  17   1.927   3.942   9.733
  127   1HB   CYS  17          1HB       CYS  17   3.262   5.940   7.832
  128   2HB   CYS  17          2HB       CYS  17   1.528   5.664   8.053
  129    HG   CYS  17           HG       CYS  17   2.203   7.934   9.136
  130    H    ALA  18           H        ALA  18   4.712   3.550   7.501
  131    HA   ALA  18           HA       ALA  18   3.388   2.255   5.343
  132   1HB   ALA  18          1HB       ALA  18   5.626   1.289   4.899
  133   2HB   ALA  18          2HB       ALA  18   5.717   3.023   5.245
  134   3HB   ALA  18          3HB       ALA  18   6.179   1.835   6.494
  135    H    SER  19           H        SER  19   4.573   0.842   8.431
  136    HA   SER  19           HA       SER  19   3.822  -1.899   7.669
  137   1HB   SER  19          1HB       SER  19   5.610  -1.241   9.343
  138   2HB   SER  19          2HB       SER  19   4.307  -0.774  10.454
  139    HG   SER  19           HG       SER  19   5.206  -3.027  10.555
  140    H    SER  20           H        SER  20   2.172   0.880   9.009
  141    HA   SER  20           HA       SER  20  -0.267  -0.640   9.675
  142   1HB   SER  20          1HB       SER  20   0.620   1.605  10.772
  143   2HB   SER  20          2HB       SER  20  -0.190   2.356   9.392
  144    HG   SER  20           HG       SER  20  -1.266   0.804  11.502
  145    H    ILE  21           H        ILE  21   1.152   0.376   6.734
  146    HA   ILE  21           HA       ILE  21  -1.449   0.510   5.288
  147    HB   ILE  21           HB       ILE  21   1.358   0.182   4.130
  148   1HG1  ILE  21          1HG1      ILE  21  -0.334   2.701   4.433
  149   2HG1  ILE  21          2HG1      ILE  21   1.143   2.346   5.296
  150   1HG2  ILE  21          1HG2      ILE  21   0.266   0.758   1.999
  151   2HG2  ILE  21          2HG2      ILE  21  -0.392  -0.703   2.697
  152   3HG2  ILE  21          3HG2      ILE  21  -1.308   0.817   2.826
  153   1HD1  ILE  21          1HD1      ILE  21   2.401   2.286   3.134
  154   2HD1  ILE  21          2HD1      ILE  21   0.923   2.864   2.323
  155   3HD1  ILE  21          3HD1      ILE  21   1.705   3.866   3.547
  156    H    GLU  22           H        GLU  22   1.368  -1.708   5.273
  157    HA   GLU  22           HA       GLU  22   0.342  -4.002   4.209
  158   1HB   GLU  22          1HB       GLU  22   2.049  -3.819   6.741
  159   2HB   GLU  22          2HB       GLU  22   1.927  -5.234   5.720
  160   1HG   GLU  22          1HG       GLU  22   2.978  -2.625   4.567
  161   2HG   GLU  22          2HG       GLU  22   3.986  -3.602   5.630
  162    H    ARG  23           H        ARG  23   0.255  -3.302   7.718
  163    HA   ARG  23           HA       ARG  23  -1.358  -5.557   8.378
  164   1HB   ARG  23          1HB       ARG  23   0.429  -4.216   9.742
  165   2HB   ARG  23          2HB       ARG  23  -0.890  -3.121  10.135
  166   1HG   ARG  23          1HG       ARG  23  -0.734  -4.628  11.952
  167   2HG   ARG  23          2HG       ARG  23  -2.137  -5.193  11.041
  168   1HD   ARG  23          1HD       ARG  23  -0.614  -6.882   9.904
  169   2HD   ARG  23          2HD       ARG  23   0.709  -6.338  10.932
  170    HE   ARG  23           HE       ARG  23  -1.541  -8.058  11.622
  171   1HH1  ARG  23          1HH1      ARG  23   0.965  -6.031  13.116
  172   2HH1  ARG  23          2HH1      ARG  23   0.871  -6.896  14.620
  173   1HH2  ARG  23          1HH2      ARG  23  -1.585  -9.107  13.564
  174   2HH2  ARG  23          2HH2      ARG  23  -0.553  -8.603  14.866
  175    H    ALA  24           H        ALA  24  -2.345  -2.397   7.310
  176    HA   ALA  24           HA       ALA  24  -5.056  -2.731   8.489
  177   1HB   ALA  24          1HB       ALA  24  -4.148  -0.431   8.465
  178   2HB   ALA  24          2HB       ALA  24  -3.939  -0.525   6.695
  179   3HB   ALA  24          3HB       ALA  24  -5.562  -0.563   7.401
  180    H    ILE  25           H        ILE  25  -3.359  -2.812   5.288
  181    HA   ILE  25           HA       ILE  25  -5.819  -3.447   3.889
  182    HB   ILE  25           HB       ILE  25  -2.999  -3.932   2.889
  183   1HG1  ILE  25          1HG1      ILE  25  -4.830  -1.533   2.362
  184   2HG1  ILE  25          2HG1      ILE  25  -3.507  -1.479   3.505
  185   1HG2  ILE  25          1HG2      ILE  25  -4.262  -3.800   0.660
  186   2HG2  ILE  25          2HG2      ILE  25  -4.737  -5.170   1.643
  187   3HG2  ILE  25          3HG2      ILE  25  -5.760  -3.718   1.562
  188   1HD1  ILE  25          1HD1      ILE  25  -3.223  -1.911   0.513
  189   2HD1  ILE  25          2HD1      ILE  25  -2.755  -0.496   1.450
  190   3HD1  ILE  25          3HD1      ILE  25  -1.904  -2.036   1.688
  191    H    ALA  26           H        ALA  26  -3.366  -5.431   5.528
  192    HA   ALA  26           HA       ALA  26  -4.461  -7.975   5.025
  193   1HB   ALA  26          1HB       ALA  26  -3.368  -6.864   7.640
  194   2HB   ALA  26          2HB       ALA  26  -3.492  -8.579   7.196
  195   3HB   ALA  26          3HB       ALA  26  -2.396  -7.515   6.296
  196    H    LYS  27           H        LYS  27  -6.347  -5.455   6.213
  197    HA   LYS  27           HA       LYS  27  -8.416  -7.369   7.253
  198   1HB   LYS  27          1HB       LYS  27  -8.296  -4.400   7.722
  199   2HB   LYS  27          2HB       LYS  27  -9.434  -5.577   8.382
  200   1HG   LYS  27          1HG       LYS  27  -7.382  -6.734   9.477
  201   2HG   LYS  27          2HG       LYS  27  -6.482  -5.257   9.034
  202   1HD   LYS  27          1HD       LYS  27  -8.522  -4.024  10.078
  203   2HD   LYS  27          2HD       LYS  27  -8.881  -5.567  10.867
  204   1HE   LYS  27          1HE       LYS  27  -6.609  -5.586  11.876
  205   2HE   LYS  27          2HE       LYS  27  -6.226  -4.063  11.057
  206   1HZ   LYS  27          1HZ       LYS  27  -8.355  -4.434  13.093
  207   2HZ   LYS  27          2HZ       LYS  27  -6.929  -3.647  13.334
  208   3HZ   LYS  27          3HZ       LYS  27  -8.056  -3.029  12.306
  209    H    VAL  28           H        VAL  28  -7.614  -5.787   4.387
  210    HA   VAL  28           HA       VAL  28 -10.263  -4.612   3.808
  211    HB   VAL  28           HB       VAL  28  -7.655  -4.770   2.263
  212   1HG1  VAL  28          1HG1      VAL  28  -9.376  -4.979   0.538
  213   2HG1  VAL  28          2HG1      VAL  28 -10.267  -3.602   1.228
  214   3HG1  VAL  28          3HG1      VAL  28  -8.671  -3.365   0.498
  215   1HG2  VAL  28          1HG2      VAL  28  -7.687  -2.329   2.507
  216   2HG2  VAL  28          2HG2      VAL  28  -9.314  -2.386   3.218
  217   3HG2  VAL  28          3HG2      VAL  28  -7.939  -3.048   4.109
  218    HA   PRO  29           HA       PRO  29 -11.660  -8.537   2.647
  219   1HB   PRO  29          1HB       PRO  29 -13.926  -8.008   1.138
  220   2HB   PRO  29          2HB       PRO  29 -13.807  -7.836   2.911
  221   1HG   PRO  29          1HG       PRO  29 -13.426  -5.667   0.820
  222   2HG   PRO  29          2HG       PRO  29 -14.455  -5.618   2.289
  223   1HD   PRO  29          1HD       PRO  29 -11.998  -4.527   2.299
  224   2HD   PRO  29          2HD       PRO  29 -12.542  -5.483   3.709
  225    H    GLY  30           H        GLY  30 -10.631  -6.403   0.051
  226   1HA   GLY  30          1HA       GLY  30 -10.622  -8.537  -1.965
  227   2HA   GLY  30          2HA       GLY  30  -9.897  -6.916  -2.096
  228    H    VAL  31           H        VAL  31  -8.497  -7.879   0.667
  229    HA   VAL  31           HA       VAL  31  -5.917  -7.989  -0.579
  230    HB   VAL  31           HB       VAL  31  -6.475  -7.165   1.690
  231   1HG1  VAL  31          1HG1      VAL  31  -5.979 -10.020   2.647
  232   2HG1  VAL  31          2HG1      VAL  31  -6.355  -8.593   3.624
  233   3HG1  VAL  31          3HG1      VAL  31  -7.592  -9.295   2.568
  234   1HG2  VAL  31          1HG2      VAL  31  -4.219  -7.638   2.534
  235   2HG2  VAL  31          2HG2      VAL  31  -4.062  -9.022   1.444
  236   3HG2  VAL  31          3HG2      VAL  31  -4.173  -7.379   0.782
  237    H    GLN  32           H        GLN  32  -4.592  -9.598  -1.148
  238    HA   GLN  32           HA       GLN  32  -5.056 -12.376  -0.166
  239   1HB   GLN  32          1HB       GLN  32  -4.772 -13.335  -2.368
  240   2HB   GLN  32          2HB       GLN  32  -6.121 -12.221  -2.337
  241   1HG   GLN  32          1HG       GLN  32  -5.280 -11.304  -4.210
  242   2HG   GLN  32          2HG       GLN  32  -4.112 -10.547  -3.180
  243   1HE2  GLN  32          1HE2      GLN  32  -2.411 -12.883  -2.609
  244   2HE2  GLN  32          2HE2      GLN  32  -1.589 -13.136  -4.135
  245    H    SER  33           H        SER  33  -2.793  -9.842  -0.567
  246    HA   SER  33           HA       SER  33  -0.855 -10.972   1.037
  247   1HB   SER  33          1HB       SER  33  -0.302 -11.584  -1.875
  248   2HB   SER  33          2HB       SER  33   1.022 -11.184  -0.781
  249    HG   SER  33           HG       SER  33  -0.943 -13.161  -0.340
  250    H    CYS  34           H        CYS  34   0.679  -9.467   1.583
  251    HA   CYS  34           HA       CYS  34   0.826  -6.928   0.036
  252   1HB   CYS  34          1HB       CYS  34   1.151  -7.046   3.040
  253   2HB   CYS  34          2HB       CYS  34   0.725  -5.684   2.026
  254    HG   CYS  34           HG       CYS  34  -1.244  -6.228   3.657
  255    H    GLN  35           H        GLN  35   2.892  -5.719   0.543
  256    HA   GLN  35           HA       GLN  35   5.090  -6.568   1.938
  257   1HB   GLN  35          1HB       GLN  35   4.912  -7.797  -0.767
  258   2HB   GLN  35          2HB       GLN  35   6.426  -6.960  -0.477
  259   1HG   GLN  35          1HG       GLN  35   7.132  -8.391   1.137
  260   2HG   GLN  35          2HG       GLN  35   5.531  -8.782   1.727
  261   1HE2  GLN  35          1HE2      GLN  35   4.094 -10.045   0.136
  262   2HE2  GLN  35          2HE2      GLN  35   4.939 -11.340  -0.753
  263    H    VAL  36           H        VAL  36   5.866  -4.586   2.376
  264    HA   VAL  36           HA       VAL  36   6.394  -2.670   0.154
  265    HB   VAL  36           HB       VAL  36   4.586  -2.030   1.835
  266   1HG1  VAL  36          1HG1      VAL  36   6.903  -1.343   3.694
  267   2HG1  VAL  36          2HG1      VAL  36   5.168  -1.111   3.970
  268   3HG1  VAL  36          3HG1      VAL  36   5.850  -2.744   3.938
  269   1HG2  VAL  36          1HG2      VAL  36   6.954  -0.140   1.543
  270   2HG2  VAL  36          2HG2      VAL  36   5.682  -0.407   0.342
  271   3HG2  VAL  36          3HG2      VAL  36   5.278   0.312   1.909
  272    H    ASN  37           H        ASN  37   8.310  -1.627   0.037
  273    HA   ASN  37           HA       ASN  37  10.542  -2.704   1.710
  274   1HB   ASN  37          1HB       ASN  37  10.357  -3.424  -0.649
  275   2HB   ASN  37          2HB       ASN  37  10.537  -1.751  -1.180
  276   1HD2  ASN  37          1HD2      ASN  37  12.232  -4.189  -1.622
  277   2HD2  ASN  37          2HD2      ASN  37  13.838  -3.734  -1.025
  278    H    PHE  38           H        PHE  38  10.574  -1.144   3.291
  279    HA   PHE  38           HA       PHE  38  10.777   1.698   2.748
  280   1HB   PHE  38          1HB       PHE  38   9.869   0.290   4.828
  281   2HB   PHE  38          2HB       PHE  38  11.504   0.465   5.403
  282    HD1  PHE  38           HD1      PHE  38  12.355   3.175   5.058
  283    HD2  PHE  38           HD2      PHE  38   8.338   1.745   5.668
  284    HE1  PHE  38           HE1      PHE  38  11.708   5.379   5.960
  285    HE2  PHE  38           HE2      PHE  38   7.699   3.957   6.607
  286    HZ   PHE  38           HZ       PHE  38   9.382   5.779   6.743
  287    H    ALA  39           H        ALA  39  12.587   0.816   1.146
  288    HA   ALA  39           HA       ALA  39  15.039   2.106   1.955
  289   1HB   ALA  39          1HB       ALA  39  15.486  -0.085   3.004
  290   2HB   ALA  39          2HB       ALA  39  15.154  -0.913   1.471
  291   3HB   ALA  39          3HB       ALA  39  16.555   0.168   1.617
  292    H    LEU  40           H        LEU  40  13.394   0.018  -0.489
  293    HA   LEU  40           HA       LEU  40  14.553   1.669  -2.655
  294   1HB   LEU  40          1HB       LEU  40  15.622  -0.410  -2.601
  295   2HB   LEU  40          2HB       LEU  40  14.200  -1.264  -2.036
  296    HG   LEU  40           HG       LEU  40  13.174  -1.139  -4.135
  297   1HD1  LEU  40          1HD1      LEU  40  14.444  -0.515  -6.211
  298   2HD1  LEU  40          2HD1      LEU  40  14.340   0.889  -5.140
  299   3HD1  LEU  40          3HD1      LEU  40  15.840  -0.049  -5.213
  300   1HD2  LEU  40          1HD2      LEU  40  15.948  -2.378  -4.202
  301   2HD2  LEU  40          2HD2      LEU  40  14.473  -3.106  -3.530
  302   3HD2  LEU  40          3HD2      LEU  40  14.605  -2.829  -5.274
  303    H    GLU  41           H        GLU  41  12.037   1.980  -1.007
  304    HA   GLU  41           HA       GLU  41  10.017   2.906  -1.247
  305   1HB   GLU  41          1HB       GLU  41  11.007   3.296  -4.090
  306   2HB   GLU  41          2HB       GLU  41   9.466   3.914  -3.516
  307   1HG   GLU  41          1HG       GLU  41  10.667   5.179  -1.717
  308   2HG   GLU  41          2HG       GLU  41  12.193   4.735  -2.511
  309    H    GLN  42           H        GLN  42  10.409   0.017  -3.248
  310    HA   GLN  42           HA       GLN  42   7.880   0.260  -4.426
  311   1HB   GLN  42          1HB       GLN  42   7.877  -1.891  -5.173
  312   2HB   GLN  42          2HB       GLN  42   9.508  -1.349  -5.263
  313   1HG   GLN  42          1HG       GLN  42   8.769  -2.898  -2.715
  314   2HG   GLN  42          2HG       GLN  42   8.450  -3.756  -4.185
  315   1HE2  GLN  42          1HE2      GLN  42  11.101  -2.239  -5.348
  316   2HE2  GLN  42          2HE2      GLN  42  12.295  -3.345  -4.663
  317    H    ALA  43           H        ALA  43   5.886  -0.727  -4.160
  318    HA   ALA  43           HA       ALA  43   5.451  -2.376  -1.753
  319   1HB   ALA  43          1HB       ALA  43   3.146  -1.571  -1.558
  320   2HB   ALA  43          2HB       ALA  43   4.262  -0.204  -1.408
  321   3HB   ALA  43          3HB       ALA  43   3.389  -0.456  -2.926
  322    H    VAL  44           H        VAL  44   4.272  -4.197  -2.124
  323    HA   VAL  44           HA       VAL  44   2.714  -4.342  -4.615
  324    HB   VAL  44           HB       VAL  44   4.651  -5.689  -5.132
  325   1HG1  VAL  44          1HG1      VAL  44   5.311  -6.467  -2.852
  326   2HG1  VAL  44          2HG1      VAL  44   3.990  -7.663  -2.936
  327   3HG1  VAL  44          3HG1      VAL  44   5.312  -7.716  -4.103
  328   1HG2  VAL  44          1HG2      VAL  44   3.494  -7.731  -5.854
  329   2HG2  VAL  44          2HG2      VAL  44   2.163  -7.392  -4.728
  330   3HG2  VAL  44          3HG2      VAL  44   2.490  -6.296  -6.092
  331    H    VAL  45           H        VAL  45   0.774  -4.177  -3.867
  332    HA   VAL  45           HA       VAL  45  -0.013  -6.205  -1.850
  333    HB   VAL  45           HB       VAL  45  -1.521  -3.600  -1.904
  334   1HG1  VAL  45          1HG1      VAL  45  -2.921  -5.449  -1.164
  335   2HG1  VAL  45          2HG1      VAL  45  -1.598  -6.153  -0.218
  336   3HG1  VAL  45          3HG1      VAL  45  -2.337  -4.649   0.312
  337   1HG2  VAL  45          1HG2      VAL  45   0.669  -3.123  -0.988
  338   2HG2  VAL  45          2HG2      VAL  45  -0.478  -3.224   0.348
  339   3HG2  VAL  45          3HG2      VAL  45   0.619  -4.581   0.021
  340    H    SER  46           H        SER  46  -1.330  -7.462  -2.416
  341    HA   SER  46           HA       SER  46  -2.739  -7.286  -5.026
  342   1HB   SER  46          1HB       SER  46  -2.601  -9.728  -5.018
  343   2HB   SER  46          2HB       SER  46  -1.013  -8.993  -4.879
  344    HG   SER  46           HG       SER  46  -1.315  -9.298  -2.499
  345    H    TYR  47           H        TYR  47  -4.806  -6.768  -4.812
  346    HA   TYR  47           HA       TYR  47  -6.411  -7.646  -2.626
  347   1HB   TYR  47          1HB       TYR  47  -6.888  -5.556  -1.542
  348   2HB   TYR  47          2HB       TYR  47  -5.251  -6.094  -1.350
  349    HD1  TYR  47           HD1      TYR  47  -3.952  -4.886  -3.849
  350    HD2  TYR  47           HD2      TYR  47  -6.640  -3.328  -0.883
  351    HE1  TYR  47           HE1      TYR  47  -2.703  -2.766  -3.857
  352    HE2  TYR  47           HE2      TYR  47  -5.357  -1.200  -0.855
  353    HH   TYR  47           HH       TYR  47  -2.320  -0.794  -2.738
  354    H    HIS  48           H        HIS  48  -6.587  -7.721  -5.465
  355    HA   HIS  48           HA       HIS  48  -8.888  -5.886  -6.065
  356   1HB   HIS  48          1HB       HIS  48  -6.677  -6.896  -7.870
  357   2HB   HIS  48          2HB       HIS  48  -7.983  -5.796  -8.341
  358    HD2  HIS  48           HD2      HIS  48  -4.586  -5.870  -6.715
  359    HE1  HIS  48           HE1      HIS  48  -6.094  -1.958  -5.898
  360    HE2  HIS  48           HE2      HIS  48  -4.023  -3.459  -5.814
  361    H    GLY  49           H        GLY  49 -10.773  -6.718  -6.544
  362   1HA   GLY  49          1HA       GLY  49 -11.769  -8.520  -8.236
  363   2HA   GLY  49          2HA       GLY  49 -11.128  -9.629  -7.013
  364    H    GLU  50           H        GLU  50 -11.668  -7.835  -4.805
  365    HA   GLU  50           HA       GLU  50 -14.595  -7.568  -4.551
  366   1HB   GLU  50          1HB       GLU  50 -12.772  -8.013  -2.691
  367   2HB   GLU  50          2HB       GLU  50 -12.477  -6.281  -2.786
  368   1HG   GLU  50          1HG       GLU  50 -15.186  -7.578  -2.207
  369   2HG   GLU  50          2HG       GLU  50 -14.032  -7.089  -0.970
  370    H    THR  51           H        THR  51 -15.495  -5.277  -4.433
  371    HA   THR  51           HA       THR  51 -14.366  -3.627  -6.590
  372    HB   THR  51           HB       THR  51 -16.726  -4.145  -6.676
  373    HG1  THR  51           HG1      THR  51 -15.984  -1.503  -6.123
  374   1HG2  THR  51          1HG2      THR  51 -16.936  -2.616  -4.045
  375   2HG2  THR  51          2HG2      THR  51 -18.301  -2.884  -5.156
  376   3HG2  THR  51          3HG2      THR  51 -17.492  -4.261  -4.404
  377    H    THR  52           H        THR  52 -12.954  -3.861  -4.097
  378    HA   THR  52           HA       THR  52 -12.964  -1.318  -2.753
  379    HB   THR  52           HB       THR  52 -12.205  -3.695  -1.980
  380    HG1  THR  52           HG1      THR  52 -12.160  -2.127  -0.602
  381   1HG2  THR  52          1HG2      THR  52 -10.411  -3.986  -3.696
  382   2HG2  THR  52          2HG2      THR  52  -9.496  -2.694  -2.873
  383   3HG2  THR  52          3HG2      THR  52  -9.902  -4.186  -2.013
  384    HA   PRO  53           HA       PRO  53  -8.902  -1.524  -5.312
  385   1HB   PRO  53          1HB       PRO  53  -8.964  -0.844  -7.979
  386   2HB   PRO  53          2HB       PRO  53  -9.252  -2.497  -7.357
  387   1HG   PRO  53          1HG       PRO  53 -11.334  -0.418  -8.049
  388   2HG   PRO  53          2HG       PRO  53 -11.248  -2.133  -8.584
  389   1HD   PRO  53          1HD       PRO  53 -12.763  -1.416  -6.512
  390   2HD   PRO  53          2HD       PRO  53 -11.798  -2.929  -6.414
  391    H    GLN  54           H        GLN  54 -11.167   1.140  -5.626
  392    HA   GLN  54           HA       GLN  54  -9.343   3.278  -6.132
  393   1HB   GLN  54          1HB       GLN  54 -11.035   4.695  -5.189
  394   2HB   GLN  54          2HB       GLN  54 -11.723   3.506  -6.285
  395   1HG   GLN  54          1HG       GLN  54 -12.181   2.145  -4.017
  396   2HG   GLN  54          2HG       GLN  54 -12.038   3.748  -3.288
  397   1HE2  GLN  54          1HE2      GLN  54 -14.263   1.582  -4.782
  398   2HE2  GLN  54          2HE2      GLN  54 -15.346   2.826  -5.395
  399    H    ILE  55           H        ILE  55  -9.936   1.351  -3.236
  400    HA   ILE  55           HA       ILE  55  -8.561   3.030  -1.335
  401    HB   ILE  55           HB       ILE  55  -9.214   0.058  -1.349
  402   1HG1  ILE  55          1HG1      ILE  55 -11.262   1.371  -1.467
  403   2HG1  ILE  55          2HG1      ILE  55 -11.104   0.641   0.110
  404   1HG2  ILE  55          1HG2      ILE  55  -8.264   1.788   0.961
  405   2HG2  ILE  55          2HG2      ILE  55  -9.055   0.207   1.155
  406   3HG2  ILE  55          3HG2      ILE  55  -7.516   0.311   0.313
  407   1HD1  ILE  55          1HD1      ILE  55 -10.363   2.854   1.039
  408   2HD1  ILE  55          2HD1      ILE  55 -10.593   3.572  -0.574
  409   3HD1  ILE  55          3HD1      ILE  55 -11.972   2.901   0.305
  410    H    LEU  56           H        LEU  56  -7.250   1.342  -3.999
  411    HA   LEU  56           HA       LEU  56  -4.711   0.773  -2.778
  412   1HB   LEU  56          1HB       LEU  56  -3.880   0.255  -4.902
  413   2HB   LEU  56          2HB       LEU  56  -5.571  -0.191  -4.927
  414    HG   LEU  56           HG       LEU  56  -5.928   2.138  -6.122
  415   1HD1  LEU  56          1HD1      LEU  56  -2.949   1.685  -6.623
  416   2HD1  LEU  56          2HD1      LEU  56  -3.985   2.763  -7.581
  417   3HD1  LEU  56          3HD1      LEU  56  -3.689   3.123  -5.890
  418   1HD2  LEU  56          1HD2      LEU  56  -6.241  -0.072  -7.227
  419   2HD2  LEU  56          2HD2      LEU  56  -5.466   1.074  -8.321
  420   3HD2  LEU  56          3HD2      LEU  56  -4.508  -0.181  -7.507
  421    H    THR  57           H        THR  57  -6.161   3.658  -3.598
  422    HA   THR  57           HA       THR  57  -3.610   5.232  -3.301
  423    HB   THR  57           HB       THR  57  -6.431   6.203  -3.918
  424    HG1  THR  57           HG1      THR  57  -5.050   4.936  -5.427
  425   1HG2  THR  57          1HG2      THR  57  -3.741   7.658  -3.797
  426   2HG2  THR  57          2HG2      THR  57  -5.210   8.316  -4.553
  427   3HG2  THR  57          3HG2      THR  57  -5.184   7.991  -2.817
  428    H    ASP  58           H        ASP  58  -6.904   5.267  -1.845
  429    HA   ASP  58           HA       ASP  58  -6.482   6.932   0.271
  430   1HB   ASP  58          1HB       ASP  58  -8.646   5.905  -0.337
  431   2HB   ASP  58          2HB       ASP  58  -8.102   4.361   0.328
  432    H    ALA  59           H        ALA  59  -5.747   3.400   0.375
  433    HA   ALA  59           HA       ALA  59  -4.884   3.542   3.087
  434   1HB   ALA  59          1HB       ALA  59  -4.183   1.180   2.696
  435   2HB   ALA  59          2HB       ALA  59  -5.785   1.493   2.000
  436   3HB   ALA  59          3HB       ALA  59  -4.360   1.416   0.940
  437    H    VAL  60           H        VAL  60  -3.207   4.656   0.391
  438    HA   VAL  60           HA       VAL  60  -0.607   4.555   1.879
  439    HB   VAL  60           HB       VAL  60  -0.960   5.889  -0.826
  440   1HG1  VAL  60          1HG1      VAL  60   1.449   5.372  -1.009
  441   2HG1  VAL  60          2HG1      VAL  60   1.109   6.351   0.418
  442   3HG1  VAL  60          3HG1      VAL  60   1.421   4.620   0.600
  443   1HG2  VAL  60          1HG2      VAL  60  -0.155   3.812  -1.906
  444   2HG2  VAL  60          2HG2      VAL  60  -0.308   2.945  -0.357
  445   3HG2  VAL  60          3HG2      VAL  60  -1.744   3.587  -1.186
  446    H    GLU  61           H        GLU  61  -3.218   6.745   0.823
  447    HA   GLU  61           HA       GLU  61  -1.895   9.248   1.447
  448   1HB   GLU  61          1HB       GLU  61  -4.850   8.538   1.381
  449   2HB   GLU  61          2HB       GLU  61  -4.208  10.169   1.484
  450   1HG   GLU  61          1HG       GLU  61  -3.761   8.245  -0.840
  451   2HG   GLU  61          2HG       GLU  61  -4.978   9.516  -0.790
  452    H    ARG  62           H        ARG  62  -4.084   7.098   3.260
  453    HA   ARG  62           HA       ARG  62  -4.277   8.376   5.710
  454   1HB   ARG  62          1HB       ARG  62  -5.038   6.313   6.562
  455   2HB   ARG  62          2HB       ARG  62  -5.497   6.374   4.889
  456   1HG   ARG  62          1HG       ARG  62  -4.791   4.180   5.319
  457   2HG   ARG  62          2HG       ARG  62  -3.549   4.940   4.332
  458   1HD   ARG  62          1HD       ARG  62  -2.837   3.342   6.196
  459   2HD   ARG  62          2HD       ARG  62  -1.933   4.815   6.052
  460    HE   ARG  62           HE       ARG  62  -3.279   5.778   7.877
  461   1HH1  ARG  62          1HH1      ARG  62  -2.850   2.242   7.813
  462   2HH1  ARG  62          2HH1      ARG  62  -2.837   2.163   9.529
  463   1HH2  ARG  62          1HH2      ARG  62  -3.610   5.531  10.021
  464   2HH2  ARG  62          2HH2      ARG  62  -3.513   3.952  10.760
  465    H    ALA  63           H        ALA  63  -1.350   7.198   4.435
  466    HA   ALA  63           HA       ALA  63  -0.090   6.807   7.104
  467   1HB   ALA  63          1HB       ALA  63   1.756   5.804   5.794
  468   2HB   ALA  63          2HB       ALA  63   0.216   5.043   5.343
  469   3HB   ALA  63          3HB       ALA  63   0.972   6.254   4.288
  470    H    GLY  64           H        GLY  64  -0.468   9.302   4.754
  471   1HA   GLY  64          1HA       GLY  64   0.476  11.454   4.809
  472   2HA   GLY  64          2HA       GLY  64   1.844  10.859   5.799
  473    H    TYR  65           H        TYR  65   1.068   8.738   3.264
  474    HA   TYR  65           HA       TYR  65   3.351   9.714   1.632
  475   1HB   TYR  65          1HB       TYR  65   2.533   6.841   2.160
  476   2HB   TYR  65          2HB       TYR  65   3.959   7.375   1.279
  477    HD1  TYR  65           HD1      TYR  65   3.691   5.452   3.732
  478    HD2  TYR  65           HD2      TYR  65   4.762   9.614   3.372
  479    HE1  TYR  65           HE1      TYR  65   5.046   5.293   5.813
  480    HE2  TYR  65           HE2      TYR  65   6.037   9.479   5.477
  481    HH   TYR  65           HH       TYR  65   6.347   6.434   7.352
  482    H    HIS  66           H        HIS  66   3.253   8.561  -0.663
  483    HA   HIS  66           HA       HIS  66   0.462   8.764  -1.755
  484   1HB   HIS  66          1HB       HIS  66   2.923  10.376  -2.359
  485   2HB   HIS  66          2HB       HIS  66   2.023   9.833  -3.755
  486    HD1  HIS  66           HD1      HIS  66  -0.044  11.193  -4.386
  487    HD2  HIS  66           HD2      HIS  66   0.906  11.373  -0.321
  488    HE1  HIS  66           HE1      HIS  66  -1.910  12.445  -3.229
  489    HE2  HIS  66           HE2      HIS  66  -1.408  12.347  -0.839
  490    H    ALA  67           H        ALA  67   0.099   7.713  -3.775
  491    HA   ALA  67           HA       ALA  67   1.738   5.260  -4.093
  492   1HB   ALA  67          1HB       ALA  67  -0.897   6.164  -5.355
  493   2HB   ALA  67          2HB       ALA  67  -0.161   4.565  -5.549
  494   3HB   ALA  67          3HB       ALA  67  -0.714   5.091  -3.951
  495    H    ARG  68           H        ARG  68   3.513   5.315  -5.414
  496    HA   ARG  68           HA       ARG  68   3.551   7.132  -7.783
  497   1HB   ARG  68          1HB       ARG  68   5.416   7.430  -6.353
  498   2HB   ARG  68          2HB       ARG  68   5.650   5.704  -6.224
  499   1HG   ARG  68          1HG       ARG  68   7.423   6.526  -7.514
  500   2HG   ARG  68          2HG       ARG  68   6.409   5.577  -8.554
  501   1HD   ARG  68          1HD       ARG  68   7.047   7.442  -9.811
  502   2HD   ARG  68          2HD       ARG  68   5.319   7.573  -9.504
  503    HE   ARG  68           HE       ARG  68   6.049   9.201  -7.587
  504   1HH1  ARG  68          1HH1      ARG  68   7.664   9.023 -10.747
  505   2HH1  ARG  68          2HH1      ARG  68   8.151  10.694 -10.657
  506   1HH2  ARG  68          1HH2      ARG  68   6.761  11.261  -7.525
  507   2HH2  ARG  68          2HH2      ARG  68   7.663  11.947  -8.832
  508    H    VAL  69           H        VAL  69   2.794   6.223  -9.403
  509    HA   VAL  69           HA       VAL  69   3.104   3.433 -10.226
  510    HB   VAL  69           HB       VAL  69   2.540   5.844 -12.015
  511   1HG1  VAL  69          1HG1      VAL  69   2.150   2.851 -12.512
  512   2HG1  VAL  69          2HG1      VAL  69   1.585   4.147 -13.589
  513   3HG1  VAL  69          3HG1      VAL  69   3.317   3.911 -13.335
  514   1HG2  VAL  69          1HG2      VAL  69   0.771   5.629 -10.320
  515   2HG2  VAL  69          2HG2      VAL  69   0.154   5.118 -11.894
  516   3HG2  VAL  69          3HG2      VAL  69   0.600   3.897 -10.682
  517    H    LEU  70           H        LEU  70   4.748   2.449 -11.023
  518    HA   LEU  70           HA       LEU  70   7.188   3.991 -11.736
  519   1HB   LEU  70          1HB       LEU  70   8.458   2.163 -10.996
  520   2HB   LEU  70          2HB       LEU  70   7.287   2.535  -9.768
  521    HG   LEU  70           HG       LEU  70   5.928   0.519 -10.571
  522   1HD1  LEU  70          1HD1      LEU  70   7.328  -1.309 -11.655
  523   2HD1  LEU  70          2HD1      LEU  70   6.835  -0.041 -12.756
  524   3HD1  LEU  70          3HD1      LEU  70   8.497  -0.058 -12.120
  525   1HD2  LEU  70          1HD2      LEU  70   8.763  -0.006  -9.556
  526   2HD2  LEU  70          2HD2      LEU  70   7.421   0.558  -8.555
  527   3HD2  LEU  70          3HD2      LEU  70   7.336  -1.041  -9.303
  528    H    LYS  71           H        LYS  71   8.538   3.169 -13.414
  529    HA   LYS  71           HA       LYS  71   8.320   0.920 -14.848
  530   1HB   LYS  71          1HB       LYS  71   6.271   2.730 -15.946
  531   2HB   LYS  71          2HB       LYS  71   7.485   2.382 -17.147
  532   1HG   LYS  71          1HG       LYS  71   7.239  -0.112 -16.521
  533   2HG   LYS  71          2HG       LYS  71   5.771   0.359 -15.665
  534   1HD   LYS  71          1HD       LYS  71   6.378   0.676 -18.633
  535   2HD   LYS  71          2HD       LYS  71   5.247  -0.461 -17.891
  536   1HE   LYS  71          1HE       LYS  71   3.878   1.467 -17.073
  537   2HE   LYS  71          2HE       LYS  71   4.998   2.580 -17.871
  538   1HZ   LYS  71          1HZ       LYS  71   3.371   0.521 -19.248
  539   2HZ   LYS  71          2HZ       LYS  71   3.098   2.143 -19.290
  540   3HZ   LYS  71          3HZ       LYS  71   4.434   1.514 -20.002
  541    H    GLN  72           H        GLN  72   9.629   0.749 -16.694
  542    HA   GLN  72           HA       GLN  72  10.516   3.236 -17.903
  543   1HB   GLN  72          1HB       GLN  72  12.352   0.797 -17.729
  544   2HB   GLN  72          2HB       GLN  72  12.569   2.189 -18.801
  545   1HG   GLN  72          1HG       GLN  72  12.514   3.644 -16.646
  546   2HG   GLN  72          2HG       GLN  72  12.787   2.128 -15.775
  547   1HE2  GLN  72          1HE2      GLN  72  14.876   0.930 -16.303
  548   2HE2  GLN  72          2HE2      GLN  72  16.165   1.881 -17.049
  549    H    GLN  73           H        GLN  73  11.089   2.357 -20.391
  550    HA   GLN  73           HA       GLN  73   9.596   0.112 -21.243
  551   1HB   GLN  73          1HB       GLN  73   7.713   1.802 -20.637
  552   2HB   GLN  73          2HB       GLN  73   8.229   2.733 -22.028
  553   1HG   GLN  73          1HG       GLN  73   7.781   0.710 -23.476
  554   2HG   GLN  73          2HG       GLN  73   7.311  -0.194 -22.037
  555   1HE2  GLN  73          1HE2      GLN  73   5.989   1.442 -24.638
  556   2HE2  GLN  73          2HE2      GLN  73   4.489   1.927 -23.879
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1   1.772 -12.220 -10.645
    2   2H    MET   1          2H        MET   1   2.438 -13.261 -11.756
    3   3H    MET   1          3H        MET   1   1.743 -13.830 -10.372
    4    HA   MET   1           HA       MET   1   0.364 -12.515 -12.597
    5   1HB   MET   1          1HB       MET   1  -0.846 -14.582 -12.899
    6   2HB   MET   1          2HB       MET   1   0.878 -14.897 -13.001
    7   1HG   MET   1          1HG       MET   1  -0.846 -15.442 -10.545
    8   2HG   MET   1          2HG       MET   1  -0.399 -16.633 -11.764
    9   1HE   MET   1          1HE       MET   1   0.030 -17.041  -8.631
   10   2HE   MET   1          2HE       MET   1   0.443 -18.252  -9.869
   11   3HE   MET   1          3HE       MET   1   1.639 -17.798  -8.636
   12    H    ALA   2           H        ALA   2  -2.207 -13.222 -12.050
   13    HA   ALA   2           HA       ALA   2  -4.058 -12.603 -10.912
   14   1HB   ALA   2          1HB       ALA   2  -3.055 -13.825  -8.953
   15   2HB   ALA   2          2HB       ALA   2  -2.403 -12.273  -8.387
   16   3HB   ALA   2          3HB       ALA   2  -4.144 -12.508  -8.528
   17    H    GLN   3           H        GLN   3  -4.874 -10.694  -9.436
   18    HA   GLN   3           HA       GLN   3  -4.314  -8.333 -11.018
   19   1HB   GLN   3          1HB       GLN   3  -6.302  -7.428  -9.973
   20   2HB   GLN   3          2HB       GLN   3  -6.584  -8.994 -10.689
   21   1HG   GLN   3          1HG       GLN   3  -6.253  -8.565  -7.688
   22   2HG   GLN   3          2HG       GLN   3  -7.781  -8.489  -8.533
   23   1HE2  GLN   3          1HE2      GLN   3  -8.222 -10.268  -6.753
   24   2HE2  GLN   3          2HE2      GLN   3  -7.820 -11.898  -7.289
   25    H    THR   4           H        THR   4  -2.018  -8.647  -9.866
   26    HA   THR   4           HA       THR   4  -1.921  -6.985  -7.413
   27    HB   THR   4           HB       THR   4  -0.805  -9.129  -7.192
   28    HG1  THR   4           HG1      THR   4   0.078  -7.397  -6.118
   29   1HG2  THR   4          1HG2      THR   4  -0.120  -9.497  -9.579
   30   2HG2  THR   4          2HG2      THR   4   1.115  -8.234  -9.388
   31   3HG2  THR   4          3HG2      THR   4   1.197  -9.716  -8.414
   32    H    ILE   5           H        ILE   5  -1.243  -5.081  -7.304
   33    HA   ILE   5           HA       ILE   5   0.134  -3.808  -9.620
   34    HB   ILE   5           HB       ILE   5  -1.159  -2.412  -7.237
   35   1HG1  ILE   5          1HG1      ILE   5  -2.660  -1.441  -9.142
   36   2HG1  ILE   5          2HG1      ILE   5  -2.198  -2.864 -10.068
   37   1HG2  ILE   5          1HG2      ILE   5   0.033  -1.335  -9.834
   38   2HG2  ILE   5          2HG2      ILE   5  -0.724  -0.365  -8.552
   39   3HG2  ILE   5          3HG2      ILE   5   0.779  -1.214  -8.229
   40   1HD1  ILE   5          1HD1      ILE   5  -3.309  -4.310  -8.406
   41   2HD1  ILE   5          2HD1      ILE   5  -3.558  -2.907  -7.333
   42   3HD1  ILE   5          3HD1      ILE   5  -4.405  -3.014  -8.886
   43    H    ASN   6           H        ASN   6   2.174  -3.440  -9.408
   44    HA   ASN   6           HA       ASN   6   3.461  -3.164  -6.756
   45   1HB   ASN   6          1HB       ASN   6   5.555  -4.001  -7.754
   46   2HB   ASN   6          2HB       ASN   6   4.296  -5.238  -7.781
   47   1HD2  ASN   6          1HD2      ASN   6   3.114  -5.574  -9.852
   48   2HD2  ASN   6          2HD2      ASN   6   3.919  -5.130 -11.356
   49    H    LEU   7           H        LEU   7   4.706  -1.393  -6.546
   50    HA   LEU   7           HA       LEU   7   5.324   0.551  -8.613
   51   1HB   LEU   7          1HB       LEU   7   3.635   2.044  -8.316
   52   2HB   LEU   7          2HB       LEU   7   2.764   0.567  -8.414
   53    HG   LEU   7           HG       LEU   7   3.305   2.080  -5.826
   54   1HD1  LEU   7          1HD1      LEU   7   0.761   1.669  -7.447
   55   2HD1  LEU   7          2HD1      LEU   7   0.898   2.543  -5.905
   56   3HD1  LEU   7          3HD1      LEU   7   1.711   3.169  -7.351
   57   1HD2  LEU   7          1HD2      LEU   7   1.673   0.510  -4.797
   58   2HD2  LEU   7          2HD2      LEU   7   1.715  -0.479  -6.271
   59   3HD2  LEU   7          3HD2      LEU   7   3.173  -0.281  -5.274
   60    H    GLN   8           H        GLN   8   5.802   2.798  -7.257
   61    HA   GLN   8           HA       GLN   8   7.113   2.023  -4.701
   62   1HB   GLN   8          1HB       GLN   8   7.754   4.095  -6.736
   63   2HB   GLN   8          2HB       GLN   8   8.184   4.376  -5.049
   64   1HG   GLN   8          1HG       GLN   8   9.555   2.363  -5.008
   65   2HG   GLN   8          2HG       GLN   8   9.067   1.939  -6.646
   66   1HE2  GLN   8          1HE2      GLN   8  11.499   3.500  -4.828
   67   2HE2  GLN   8          2HE2      GLN   8  12.102   4.534  -6.110
   68    H    LEU   9           H        LEU   9   7.019   3.568  -3.006
   69    HA   LEU   9           HA       LEU   9   4.325   4.836  -2.790
   70   1HB   LEU   9          1HB       LEU   9   4.331   2.493  -2.097
   71   2HB   LEU   9          2HB       LEU   9   5.632   2.761  -0.969
   72    HG   LEU   9           HG       LEU   9   3.032   4.280  -0.761
   73   1HD1  LEU   9          1HD1      LEU   9   3.651   1.549   0.456
   74   2HD1  LEU   9          2HD1      LEU   9   2.178   2.498   0.720
   75   3HD1  LEU   9          3HD1      LEU   9   2.513   1.852  -0.881
   76   1HD2  LEU   9          1HD2      LEU   9   4.803   5.121   0.732
   77   2HD2  LEU   9          2HD2      LEU   9   3.472   4.401   1.630
   78   3HD2  LEU   9          3HD2      LEU   9   4.975   3.495   1.434
   79    H    GLU  10           H        GLU  10   4.772   6.898  -2.416
   80    HA   GLU  10           HA       GLU  10   7.478   7.603  -1.498
   81   1HB   GLU  10          1HB       GLU  10   5.573   8.613  -3.560
   82   2HB   GLU  10          2HB       GLU  10   6.329   9.890  -2.620
   83   1HG   GLU  10          1HG       GLU  10   8.548   8.545  -3.026
   84   2HG   GLU  10          2HG       GLU  10   7.682   7.783  -4.329
   85    H    GLY  11           H        GLY  11   7.983   9.328  -0.283
   86   1HA   GLY  11          1HA       GLY  11   7.576  11.002   1.408
   87   2HA   GLY  11          2HA       GLY  11   5.931  10.357   1.633
   88    H    MET  12           H        MET  12   7.125   7.564   1.487
   89    HA   MET  12           HA       MET  12   7.339   6.479   3.884
   90   1HB   MET  12          1HB       MET  12   8.910   6.003   1.381
   91   2HB   MET  12          2HB       MET  12   9.608   5.324   2.841
   92   1HG   MET  12          1HG       MET  12   7.172   4.362   3.232
   93   2HG   MET  12          2HG       MET  12   7.036   4.647   1.489
   94   1HE   MET  12          1HE       MET  12   8.002   1.228   0.448
   95   2HE   MET  12          2HE       MET  12   6.591   2.061   1.128
   96   3HE   MET  12          3HE       MET  12   7.583   2.852  -0.122
   97    H    ARG  13           H        ARG  13  10.180   8.223   2.630
   98    HA   ARG  13           HA       ARG  13  12.085   8.134   4.482
   99   1HB   ARG  13          1HB       ARG  13  11.087  10.858   3.585
  100   2HB   ARG  13          2HB       ARG  13  12.727  10.354   3.953
  101   1HG   ARG  13          1HG       ARG  13  12.977  10.221   1.717
  102   2HG   ARG  13          2HG       ARG  13  12.191   8.650   1.878
  103   1HD   ARG  13          1HD       ARG  13   9.961   9.967   1.536
  104   2HD   ARG  13          2HD       ARG  13  10.985  11.320   1.041
  105    HE   ARG  13           HE       ARG  13  11.252   8.634  -0.249
  106   1HH1  ARG  13          1HH1      ARG  13   9.930  11.933  -0.831
  107   2HH1  ARG  13          2HH1      ARG  13   9.677  11.471  -2.516
  108   1HH2  ARG  13          1HH2      ARG  13  11.033   8.395  -2.384
  109   2HH2  ARG  13          2HH2      ARG  13  10.391   9.725  -3.352
  110    H    CYS  14           H        CYS  14   8.959   9.612   5.308
  111    HA   CYS  14           HA       CYS  14   9.931  10.932   7.722
  112   1HB   CYS  14          1HB       CYS  14   7.038  10.358   6.959
  113   2HB   CYS  14          2HB       CYS  14   7.660  11.584   8.052
  114    HG   CYS  14           HG       CYS  14   7.874  11.328   4.759
  115    H    ALA  15           H        ALA  15   9.109   7.716   7.058
  116    HA   ALA  15           HA       ALA  15   9.400   5.851   8.266
  117   1HB   ALA  15          1HB       ALA  15  10.420   5.835  10.425
  118   2HB   ALA  15          2HB       ALA  15  11.100   7.204   9.535
  119   3HB   ALA  15          3HB       ALA  15   9.860   7.485  10.773
  120    H    ALA  16           H        ALA  16   8.638   4.919  10.611
  121    HA   ALA  16           HA       ALA  16   7.055   3.975  11.874
  122   1HB   ALA  16          1HB       ALA  16   5.718   6.703  11.559
  123   2HB   ALA  16          2HB       ALA  16   5.379   5.502  12.820
  124   3HB   ALA  16          3HB       ALA  16   6.974   6.277  12.736
  125    H    CYS  17           H        CYS  17   5.130   5.786   9.510
  126    HA   CYS  17           HA       CYS  17   2.811   4.244   9.873
  127   1HB   CYS  17          1HB       CYS  17   3.612   6.094   7.580
  128   2HB   CYS  17          2HB       CYS  17   1.961   5.527   7.923
  129    HG   CYS  17           HG       CYS  17   2.553   8.103   8.668
  130    H    ALA  18           H        ALA  18   5.474   3.192   7.992
  131    HA   ALA  18           HA       ALA  18   4.254   2.168   5.652
  132   1HB   ALA  18          1HB       ALA  18   6.667   2.458   5.927
  133   2HB   ALA  18          2HB       ALA  18   6.719   1.193   7.176
  134   3HB   ALA  18          3HB       ALA  18   6.293   0.776   5.503
  135    H    SER  19           H        SER  19   4.993   0.277   8.668
  136    HA   SER  19           HA       SER  19   3.414  -1.961   7.660
  137   1HB   SER  19          1HB       SER  19   5.355  -2.077   9.324
  138   2HB   SER  19          2HB       SER  19   4.160  -1.627  10.561
  139    HG   SER  19           HG       SER  19   4.066  -3.831   8.716
  140    H    SER  20           H        SER  20   2.497   0.995   9.147
  141    HA   SER  20           HA       SER  20  -0.102  -0.011  10.095
  142   1HB   SER  20          1HB       SER  20   1.303   2.234  10.745
  143   2HB   SER  20          2HB       SER  20   0.197   2.887   9.523
  144    HG   SER  20           HG       SER  20  -0.319   1.764  12.039
  145    H    ILE  21           H        ILE  21   1.268   0.953   7.038
  146    HA   ILE  21           HA       ILE  21  -1.309   0.967   5.590
  147    HB   ILE  21           HB       ILE  21   1.503   0.489   4.519
  148   1HG1  ILE  21          1HG1      ILE  21  -0.187   3.017   4.569
  149   2HG1  ILE  21          2HG1      ILE  21   1.256   2.734   5.527
  150   1HG2  ILE  21          1HG2      ILE  21  -1.117   0.943   3.073
  151   2HG2  ILE  21          2HG2      ILE  21   0.489   0.920   2.316
  152   3HG2  ILE  21          3HG2      ILE  21  -0.126  -0.528   3.082
  153   1HD1  ILE  21          1HD1      ILE  21   1.095   3.104   2.545
  154   2HD1  ILE  21          2HD1      ILE  21   1.894   4.124   3.734
  155   3HD1  ILE  21          3HD1      ILE  21   2.565   2.517   3.376
  156    H    GLU  22           H        GLU  22   1.375  -1.473   5.843
  157    HA   GLU  22           HA       GLU  22   0.105  -3.629   4.705
  158   1HB   GLU  22          1HB       GLU  22   1.798  -3.732   7.226
  159   2HB   GLU  22          2HB       GLU  22   1.443  -5.105   6.181
  160   1HG   GLU  22          1HG       GLU  22   2.669  -4.061   4.325
  161   2HG   GLU  22          2HG       GLU  22   2.983  -2.618   5.310
  162    H    ARG  23           H        ARG  23  -0.093  -2.920   8.226
  163    HA   ARG  23           HA       ARG  23  -1.911  -4.991   8.827
  164   1HB   ARG  23          1HB       ARG  23  -0.364  -3.452  10.338
  165   2HB   ARG  23          2HB       ARG  23  -1.778  -2.402  10.407
  166   1HG   ARG  23          1HG       ARG  23  -2.000  -3.786  12.307
  167   2HG   ARG  23          2HG       ARG  23  -3.079  -4.543  11.130
  168   1HD   ARG  23          1HD       ARG  23  -1.021  -6.044  10.503
  169   2HD   ARG  23          2HD       ARG  23  -0.241  -5.369  11.923
  170    HE   ARG  23           HE       ARG  23  -1.621  -6.619  13.316
  171   1HH1  ARG  23          1HH1      ARG  23  -2.788  -6.971  10.003
  172   2HH1  ARG  23          2HH1      ARG  23  -3.776  -8.345  10.381
  173   1HH2  ARG  23          1HH2      ARG  23  -2.895  -8.423  13.752
  174   2HH2  ARG  23          2HH2      ARG  23  -3.824  -9.164  12.490
  175    H    ALA  24           H        ALA  24  -2.612  -1.965   7.312
  176    HA   ALA  24           HA       ALA  24  -5.503  -2.167   7.973
  177   1HB   ALA  24          1HB       ALA  24  -3.937   0.021   6.517
  178   2HB   ALA  24          2HB       ALA  24  -5.663   0.073   6.916
  179   3HB   ALA  24          3HB       ALA  24  -4.449   0.072   8.220
  180    H    ILE  25           H        ILE  25  -3.196  -2.429   5.276
  181    HA   ILE  25           HA       ILE  25  -5.078  -2.889   3.125
  182    HB   ILE  25           HB       ILE  25  -2.160  -3.594   3.632
  183   1HG1  ILE  25          1HG1      ILE  25  -2.509  -1.221   3.274
  184   2HG1  ILE  25          2HG1      ILE  25  -1.705  -1.922   1.879
  185   1HG2  ILE  25          1HG2      ILE  25  -3.776  -4.202   1.136
  186   2HG2  ILE  25          2HG2      ILE  25  -1.996  -4.162   1.203
  187   3HG2  ILE  25          3HG2      ILE  25  -2.881  -5.327   2.179
  188   1HD1  ILE  25          1HD1      ILE  25  -4.602  -1.027   2.107
  189   2HD1  ILE  25          2HD1      ILE  25  -3.319  -0.362   1.078
  190   3HD1  ILE  25          3HD1      ILE  25  -3.991  -1.964   0.742
  191    H    ALA  26           H        ALA  26  -3.447  -5.041   5.406
  192    HA   ALA  26           HA       ALA  26  -4.626  -7.482   4.648
  193   1HB   ALA  26          1HB       ALA  26  -3.936  -8.216   6.896
  194   2HB   ALA  26          2HB       ALA  26  -2.688  -7.221   6.129
  195   3HB   ALA  26          3HB       ALA  26  -3.730  -6.516   7.394
  196    H    LYS  27           H        LYS  27  -6.559  -5.002   5.290
  197    HA   LYS  27           HA       LYS  27  -8.773  -6.643   6.478
  198   1HB   LYS  27          1HB       LYS  27  -8.581  -3.675   6.196
  199   2HB   LYS  27          2HB       LYS  27  -9.915  -4.597   6.896
  200   1HG   LYS  27          1HG       LYS  27  -8.429  -5.455   8.703
  201   2HG   LYS  27          2HG       LYS  27  -7.070  -4.521   8.016
  202   1HD   LYS  27          1HD       LYS  27  -8.573  -2.524   8.080
  203   2HD   LYS  27          2HD       LYS  27  -9.687  -3.436   9.117
  204   1HE   LYS  27          1HE       LYS  27  -7.918  -3.754  10.796
  205   2HE   LYS  27          2HE       LYS  27  -6.727  -2.985   9.738
  206   1HZ   LYS  27          1HZ       LYS  27  -7.583  -1.431  11.404
  207   2HZ   LYS  27          2HZ       LYS  27  -7.999  -0.929   9.889
  208   3HZ   LYS  27          3HZ       LYS  27  -9.123  -1.634  10.855
  209    H    VAL  28           H        VAL  28  -7.574  -5.287   3.483
  210    HA   VAL  28           HA       VAL  28 -10.102  -4.331   2.475
  211    HB   VAL  28           HB       VAL  28  -7.511  -4.870   0.974
  212   1HG1  VAL  28          1HG1      VAL  28  -8.361  -3.321  -0.740
  213   2HG1  VAL  28          2HG1      VAL  28  -9.477  -4.684  -0.586
  214   3HG1  VAL  28          3HG1      VAL  28  -9.877  -3.121   0.154
  215   1HG2  VAL  28          1HG2      VAL  28  -7.263  -3.179   2.787
  216   2HG2  VAL  28          2HG2      VAL  28  -7.165  -2.421   1.196
  217   3HG2  VAL  28          3HG2      VAL  28  -8.656  -2.309   2.163
  218    HA   PRO  29           HA       PRO  29 -11.730  -8.225   1.510
  219   1HB   PRO  29          1HB       PRO  29 -13.778  -7.637  -0.282
  220   2HB   PRO  29          2HB       PRO  29 -13.844  -7.389   1.492
  221   1HG   PRO  29          1HG       PRO  29 -13.120  -5.375  -0.651
  222   2HG   PRO  29          2HG       PRO  29 -14.242  -5.167   0.740
  223   1HD   PRO  29          1HD       PRO  29 -11.713  -4.245   0.846
  224   2HD   PRO  29          2HD       PRO  29 -12.433  -5.040   2.278
  225    H    GLY  30           H        GLY  30 -10.480  -9.571   0.481
  226   1HA   GLY  30          1HA       GLY  30  -9.882 -10.882  -1.400
  227   2HA   GLY  30          2HA       GLY  30 -10.174  -9.511  -2.474
  228    H    VAL  31           H        VAL  31  -8.233  -8.464   0.167
  229    HA   VAL  31           HA       VAL  31  -5.731  -8.439  -1.170
  230    HB   VAL  31           HB       VAL  31  -4.650  -8.915   1.144
  231   1HG1  VAL  31          1HG1      VAL  31  -4.443  -6.887  -0.065
  232   2HG1  VAL  31          2HG1      VAL  31  -6.062  -6.353   0.438
  233   3HG1  VAL  31          3HG1      VAL  31  -4.741  -6.551   1.626
  234   1HG2  VAL  31          1HG2      VAL  31  -5.739  -8.702   3.090
  235   2HG2  VAL  31          2HG2      VAL  31  -7.026  -7.703   2.441
  236   3HG2  VAL  31          3HG2      VAL  31  -7.046  -9.467   2.180
  237    H    GLN  32           H        GLN  32  -4.578  -9.858  -2.000
  238    HA   GLN  32           HA       GLN  32  -4.502 -12.641  -0.789
  239   1HB   GLN  32          1HB       GLN  32  -4.376 -13.644  -2.942
  240   2HB   GLN  32          2HB       GLN  32  -5.762 -12.567  -2.887
  241   1HG   GLN  32          1HG       GLN  32  -5.028 -11.775  -4.858
  242   2HG   GLN  32          2HG       GLN  32  -3.860 -10.883  -3.907
  243   1HE2  GLN  32          1HE2      GLN  32  -1.771 -12.550  -3.335
  244   2HE2  GLN  32          2HE2      GLN  32  -1.135 -13.149  -4.855
  245    H    SER  33           H        SER  33  -2.454  -9.960  -1.331
  246    HA   SER  33           HA       SER  33  -0.310 -11.313  -0.100
  247   1HB   SER  33          1HB       SER  33   0.199 -12.436  -2.187
  248   2HB   SER  33          2HB       SER  33  -0.034 -10.948  -3.108
  249    HG   SER  33           HG       SER  33   2.073 -11.296  -1.197
  250    H    CYS  34           H        CYS  34   1.164  -9.726   0.701
  251    HA   CYS  34           HA       CYS  34   0.634  -6.904   0.022
  252   1HB   CYS  34          1HB       CYS  34   0.098  -7.978   2.835
  253   2HB   CYS  34          2HB       CYS  34  -0.226  -6.359   2.220
  254    HG   CYS  34           HG       CYS  34  -1.865  -7.601   0.242
  255    H    GLN  35           H        GLN  35   2.740  -6.280  -0.207
  256    HA   GLN  35           HA       GLN  35   4.521  -6.556   2.128
  257   1HB   GLN  35          1HB       GLN  35   5.490  -7.336  -0.661
  258   2HB   GLN  35          2HB       GLN  35   6.391  -7.354   0.832
  259   1HG   GLN  35          1HG       GLN  35   5.978  -9.597   0.381
  260   2HG   GLN  35          2HG       GLN  35   4.862  -9.200   1.682
  261   1HE2  GLN  35          1HE2      GLN  35   4.247  -8.422  -1.847
  262   2HE2  GLN  35          2HE2      GLN  35   2.974  -9.620  -1.967
  263    H    VAL  36           H        VAL  36   6.123  -4.934   2.207
  264    HA   VAL  36           HA       VAL  36   6.483  -3.042   0.046
  265    HB   VAL  36           HB       VAL  36   4.542  -2.083   1.158
  266   1HG1  VAL  36          1HG1      VAL  36   6.143  -2.045   3.753
  267   2HG1  VAL  36          2HG1      VAL  36   4.534  -1.341   3.488
  268   3HG1  VAL  36          3HG1      VAL  36   4.750  -3.088   3.383
  269   1HG2  VAL  36          1HG2      VAL  36   5.369   0.126   1.779
  270   2HG2  VAL  36          2HG2      VAL  36   7.023  -0.497   1.913
  271   3HG2  VAL  36          3HG2      VAL  36   6.191  -0.472   0.340
  272    H    ASN  37           H        ASN  37   8.464  -2.107   0.109
  273    HA   ASN  37           HA       ASN  37  10.399  -3.393   1.981
  274   1HB   ASN  37          1HB       ASN  37  10.409  -3.945  -0.413
  275   2HB   ASN  37          2HB       ASN  37  10.763  -2.267  -0.822
  276   1HD2  ASN  37          1HD2      ASN  37  12.288  -4.715  -1.344
  277   2HD2  ASN  37          2HD2      ASN  37  13.864  -4.516  -0.552
  278    H    PHE  38           H        PHE  38  10.510  -1.983   3.671
  279    HA   PHE  38           HA       PHE  38  10.650   0.877   3.296
  280   1HB   PHE  38          1HB       PHE  38   9.488  -0.381   5.204
  281   2HB   PHE  38          2HB       PHE  38  11.091  -0.579   5.917
  282    HD1  PHE  38           HD1      PHE  38   8.654   1.910   4.590
  283    HD2  PHE  38           HD2      PHE  38  12.137   1.321   7.058
  284    HE1  PHE  38           HE1      PHE  38   8.672   4.325   5.112
  285    HE2  PHE  38           HE2      PHE  38  12.148   3.739   7.606
  286    HZ   PHE  38           HZ       PHE  38  10.484   5.254   6.571
  287    H    ALA  39           H        ALA  39  12.515   0.398   1.828
  288    HA   ALA  39           HA       ALA  39  14.804   1.791   2.878
  289   1HB   ALA  39          1HB       ALA  39  15.465  -0.492   3.574
  290   2HB   ALA  39          2HB       ALA  39  15.191  -1.095   1.925
  291   3HB   ALA  39          3HB       ALA  39  16.494   0.071   2.246
  292    H    LEU  40           H        LEU  40  13.529  -0.229   0.133
  293    HA   LEU  40           HA       LEU  40  14.676   1.637  -1.821
  294   1HB   LEU  40          1HB       LEU  40  15.469  -0.591  -1.864
  295   2HB   LEU  40          2HB       LEU  40  13.883  -1.276  -1.529
  296    HG   LEU  40           HG       LEU  40  13.099  -0.720  -3.657
  297   1HD1  LEU  40          1HD1      LEU  40  14.636  -0.045  -5.532
  298   2HD1  LEU  40          2HD1      LEU  40  14.632   1.212  -4.289
  299   3HD1  LEU  40          3HD1      LEU  40  15.983   0.077  -4.382
  300   1HD2  LEU  40          1HD2      LEU  40  14.117  -2.936  -3.222
  301   2HD2  LEU  40          2HD2      LEU  40  14.408  -2.466  -4.910
  302   3HD2  LEU  40          3HD2      LEU  40  15.706  -2.322  -3.710
  303    H    GLU  41           H        GLU  41  11.773   1.311  -0.238
  304    HA   GLU  41           HA       GLU  41   9.837   2.330  -0.433
  305   1HB   GLU  41          1HB       GLU  41  11.060   3.901  -2.722
  306   2HB   GLU  41          2HB       GLU  41   9.512   4.243  -1.968
  307   1HG   GLU  41          1HG       GLU  41  10.747   4.407   0.262
  308   2HG   GLU  41          2HG       GLU  41  12.241   4.459  -0.687
  309    H    GLN  42           H        GLN  42  10.379  -0.143  -2.495
  310    HA   GLN  42           HA       GLN  42   7.968   0.326  -4.101
  311   1HB   GLN  42          1HB       GLN  42   8.114  -1.600  -5.156
  312   2HB   GLN  42          2HB       GLN  42   9.768  -1.132  -5.008
  313   1HG   GLN  42          1HG       GLN  42   8.610  -3.119  -2.939
  314   2HG   GLN  42          2HG       GLN  42   8.717  -3.633  -4.597
  315   1HE2  GLN  42          1HE2      GLN  42  11.322  -2.205  -5.185
  316   2HE2  GLN  42          2HE2      GLN  42  12.473  -3.200  -4.287
  317    H    ALA  43           H        ALA  43   5.992  -0.523  -3.900
  318    HA   ALA  43           HA       ALA  43   5.420  -2.345  -1.620
  319   1HB   ALA  43          1HB       ALA  43   4.402  -0.096  -1.189
  320   2HB   ALA  43          2HB       ALA  43   3.535  -0.219  -2.735
  321   3HB   ALA  43          3HB       ALA  43   3.188  -1.369  -1.423
  322    H    VAL  44           H        VAL  44   4.008  -4.024  -2.087
  323    HA   VAL  44           HA       VAL  44   2.960  -4.193  -4.821
  324    HB   VAL  44           HB       VAL  44   5.010  -5.272  -5.248
  325   1HG1  VAL  44          1HG1      VAL  44   5.806  -5.790  -2.986
  326   2HG1  VAL  44          2HG1      VAL  44   4.586  -7.068  -2.837
  327   3HG1  VAL  44          3HG1      VAL  44   5.887  -7.217  -4.027
  328   1HG2  VAL  44          1HG2      VAL  44   2.967  -6.368  -6.172
  329   2HG2  VAL  44          2HG2      VAL  44   4.346  -7.466  -5.985
  330   3HG2  VAL  44          3HG2      VAL  44   3.008  -7.525  -4.824
  331    H    VAL  45           H        VAL  45   0.961  -4.865  -4.851
  332    HA   VAL  45           HA       VAL  45   0.030  -6.831  -2.885
  333    HB   VAL  45           HB       VAL  45  -1.471  -4.243  -2.998
  334   1HG1  VAL  45          1HG1      VAL  45  -2.666  -6.314  -2.138
  335   2HG1  VAL  45          2HG1      VAL  45  -1.575  -6.220  -0.736
  336   3HG1  VAL  45          3HG1      VAL  45  -2.685  -4.909  -1.073
  337   1HG2  VAL  45          1HG2      VAL  45  -0.691  -3.501  -0.819
  338   2HG2  VAL  45          2HG2      VAL  45   0.486  -4.823  -0.773
  339   3HG2  VAL  45          3HG2      VAL  45   0.617  -3.531  -1.995
  340    H    SER  46           H        SER  46  -1.579  -8.045  -3.669
  341    HA   SER  46           HA       SER  46  -3.372  -6.929  -5.817
  342   1HB   SER  46          1HB       SER  46  -2.776  -8.932  -6.825
  343   2HB   SER  46          2HB       SER  46  -2.590  -9.797  -5.337
  344    HG   SER  46           HG       SER  46  -4.912  -9.690  -5.163
  345    H    TYR  47           H        TYR  47  -4.941  -5.963  -4.800
  346    HA   TYR  47           HA       TYR  47  -5.432  -6.607  -1.980
  347   1HB   TYR  47          1HB       TYR  47  -6.553  -4.351  -3.621
  348   2HB   TYR  47          2HB       TYR  47  -6.390  -4.384  -1.895
  349    HD1  TYR  47           HD1      TYR  47  -4.164  -4.314  -5.001
  350    HD2  TYR  47           HD2      TYR  47  -4.868  -2.955  -0.981
  351    HE1  TYR  47           HE1      TYR  47  -2.336  -2.674  -5.248
  352    HE2  TYR  47           HE2      TYR  47  -2.946  -1.365  -1.204
  353    HH   TYR  47           HH       TYR  47  -1.016  -1.142  -4.193
  354    H    HIS  48           H        HIS  48  -6.990  -7.506  -4.801
  355    HA   HIS  48           HA       HIS  48  -9.641  -6.393  -4.036
  356   1HB   HIS  48          1HB       HIS  48  -8.694  -7.024  -6.837
  357   2HB   HIS  48          2HB       HIS  48  -9.946  -5.904  -6.322
  358    HD2  HIS  48           HD2      HIS  48  -6.208  -6.224  -6.922
  359    HE1  HIS  48           HE1      HIS  48  -6.888  -2.153  -5.781
  360    HE2  HIS  48           HE2      HIS  48  -5.206  -3.784  -6.834
  361    H    GLY  49           H        GLY  49 -11.403  -7.590  -3.868
  362   1HA   GLY  49          1HA       GLY  49 -11.838  -9.972  -5.626
  363   2HA   GLY  49          2HA       GLY  49 -12.088 -10.109  -3.883
  364    H    GLU  50           H        GLU  50 -13.149  -8.314  -6.747
  365    HA   GLU  50           HA       GLU  50 -15.054  -7.368  -7.382
  366   1HB   GLU  50          1HB       GLU  50 -15.609  -9.865  -6.928
  367   2HB   GLU  50          2HB       GLU  50 -16.553  -9.285  -5.566
  368   1HG   GLU  50          1HG       GLU  50 -17.972  -9.578  -7.546
  369   2HG   GLU  50          2HG       GLU  50 -17.884  -7.855  -7.139
  370    H    THR  51           H        THR  51 -14.128  -5.533  -6.032
  371    HA   THR  51           HA       THR  51 -16.165  -3.999  -4.820
  372    HB   THR  51           HB       THR  51 -14.361  -5.473  -2.909
  373    HG1  THR  51           HG1      THR  51 -16.609  -5.904  -3.418
  374   1HG2  THR  51          1HG2      THR  51 -15.048  -3.901  -1.098
  375   2HG2  THR  51          2HG2      THR  51 -13.888  -3.163  -2.211
  376   3HG2  THR  51          3HG2      THR  51 -15.629  -2.757  -2.304
  377    H    THR  52           H        THR  52 -15.262  -1.913  -4.015
  378    HA   THR  52           HA       THR  52 -14.095  -0.591  -6.110
  379    HB   THR  52           HB       THR  52 -13.818   1.310  -4.425
  380    HG1  THR  52           HG1      THR  52 -13.499  -0.186  -2.681
  381   1HG2  THR  52          1HG2      THR  52 -16.215   1.581  -4.073
  382   2HG2  THR  52          2HG2      THR  52 -15.913   0.990  -5.715
  383   3HG2  THR  52          3HG2      THR  52 -16.511  -0.126  -4.461
  384    HA   PRO  53           HA       PRO  53  -9.786  -1.702  -5.300
  385   1HB   PRO  53          1HB       PRO  53  -8.651  -0.880  -7.651
  386   2HB   PRO  53          2HB       PRO  53  -9.686  -2.334  -7.526
  387   1HG   PRO  53          1HG       PRO  53 -10.518   0.452  -8.387
  388   2HG   PRO  53          2HG       PRO  53 -10.822  -1.105  -9.229
  389   1HD   PRO  53          1HD       PRO  53 -12.684   0.009  -7.608
  390   2HD   PRO  53          2HD       PRO  53 -12.432  -1.765  -7.624
  391    H    GLN  54           H        GLN  54 -10.998   1.544  -5.761
  392    HA   GLN  54           HA       GLN  54  -8.681   3.126  -5.664
  393   1HB   GLN  54          1HB       GLN  54 -10.109   4.890  -4.993
  394   2HB   GLN  54          2HB       GLN  54 -10.990   3.867  -6.129
  395   1HG   GLN  54          1HG       GLN  54 -12.039   2.727  -4.041
  396   2HG   GLN  54          2HG       GLN  54 -11.353   4.064  -3.104
  397   1HE2  GLN  54          1HE2      GLN  54 -12.093   6.317  -3.687
  398   2HE2  GLN  54          2HE2      GLN  54 -13.600   6.465  -4.586
  399    H    ILE  55           H        ILE  55  -9.838   1.092  -3.107
  400    HA   ILE  55           HA       ILE  55  -8.791   2.562  -0.849
  401    HB   ILE  55           HB       ILE  55  -9.211  -0.437  -1.215
  402   1HG1  ILE  55          1HG1      ILE  55 -11.144   1.569   0.046
  403   2HG1  ILE  55          2HG1      ILE  55 -11.296   1.016  -1.614
  404   1HG2  ILE  55          1HG2      ILE  55  -8.915   1.317   1.279
  405   2HG2  ILE  55          2HG2      ILE  55  -9.432  -0.372   1.321
  406   3HG2  ILE  55          3HG2      ILE  55  -7.819   0.023   0.750
  407   1HD1  ILE  55          1HD1      ILE  55 -11.546  -0.745   0.841
  408   2HD1  ILE  55          2HD1      ILE  55 -12.808  -0.262  -0.296
  409   3HD1  ILE  55          3HD1      ILE  55 -11.506  -1.337  -0.839
  410    H    LEU  56           H        LEU  56  -7.212   0.727  -3.385
  411    HA   LEU  56           HA       LEU  56  -4.671   0.302  -2.177
  412   1HB   LEU  56          1HB       LEU  56  -3.837   0.031  -4.368
  413   2HB   LEU  56          2HB       LEU  56  -5.477  -0.572  -4.393
  414    HG   LEU  56           HG       LEU  56  -6.031   1.825  -5.418
  415   1HD1  LEU  56          1HD1      LEU  56  -3.746   2.847  -5.152
  416   2HD1  LEU  56          2HD1      LEU  56  -3.060   1.537  -6.116
  417   3HD1  LEU  56          3HD1      LEU  56  -4.191   2.696  -6.843
  418   1HD2  LEU  56          1HD2      LEU  56  -6.246  -0.306  -6.661
  419   2HD2  LEU  56          2HD2      LEU  56  -5.534   0.931  -7.691
  420   3HD2  LEU  56          3HD2      LEU  56  -4.500  -0.324  -6.970
  421    H    THR  57           H        THR  57  -6.212   3.232  -3.092
  422    HA   THR  57           HA       THR  57  -3.718   4.863  -2.787
  423    HB   THR  57           HB       THR  57  -6.538   5.769  -3.533
  424    HG1  THR  57           HG1      THR  57  -4.670   4.454  -4.838
  425   1HG2  THR  57          1HG2      THR  57  -5.218   7.621  -2.642
  426   2HG2  THR  57          2HG2      THR  57  -3.811   7.154  -3.618
  427   3HG2  THR  57          3HG2      THR  57  -5.288   7.769  -4.401
  428    H    ASP  58           H        ASP  58  -7.068   4.812  -1.450
  429    HA   ASP  58           HA       ASP  58  -6.779   6.715   0.526
  430   1HB   ASP  58          1HB       ASP  58  -8.877   5.548  -0.065
  431   2HB   ASP  58          2HB       ASP  58  -8.308   4.092   0.748
  432    H    ALA  59           H        ALA  59  -5.994   3.237   0.947
  433    HA   ALA  59           HA       ALA  59  -5.044   3.657   3.615
  434   1HB   ALA  59          1HB       ALA  59  -4.832   1.294   1.714
  435   2HB   ALA  59          2HB       ALA  59  -4.447   1.213   3.453
  436   3HB   ALA  59          3HB       ALA  59  -6.107   1.560   2.917
  437    H    VAL  60           H        VAL  60  -3.513   4.609   0.941
  438    HA   VAL  60           HA       VAL  60  -0.810   4.507   2.263
  439    HB   VAL  60           HB       VAL  60  -1.505   5.269  -0.608
  440   1HG1  VAL  60          1HG1      VAL  60   0.512   6.414   0.168
  441   2HG1  VAL  60          2HG1      VAL  60   1.196   4.889   0.745
  442   3HG1  VAL  60          3HG1      VAL  60   0.927   5.168  -0.997
  443   1HG2  VAL  60          1HG2      VAL  60  -1.803   2.839  -0.286
  444   2HG2  VAL  60          2HG2      VAL  60  -0.337   3.148  -1.217
  445   3HG2  VAL  60          3HG2      VAL  60  -0.222   2.729   0.505
  446    H    GLU  61           H        GLU  61  -3.406   6.667   1.091
  447    HA   GLU  61           HA       GLU  61  -2.103   9.174   1.598
  448   1HB   GLU  61          1HB       GLU  61  -5.047   8.403   1.706
  449   2HB   GLU  61          2HB       GLU  61  -4.446  10.049   1.752
  450   1HG   GLU  61          1HG       GLU  61  -4.018   8.102  -0.560
  451   2HG   GLU  61          2HG       GLU  61  -5.273   9.332  -0.490
  452    H    ARG  62           H        ARG  62  -4.173   7.119   3.669
  453    HA   ARG  62           HA       ARG  62  -4.205   8.453   6.083
  454   1HB   ARG  62          1HB       ARG  62  -4.517   6.257   7.133
  455   2HB   ARG  62          2HB       ARG  62  -5.353   6.343   5.592
  456   1HG   ARG  62          1HG       ARG  62  -4.404   4.221   5.586
  457   2HG   ARG  62          2HG       ARG  62  -3.380   5.192   4.545
  458   1HD   ARG  62          1HD       ARG  62  -1.811   3.949   5.590
  459   2HD   ARG  62          2HD       ARG  62  -1.761   5.275   6.692
  460    HE   ARG  62           HE       ARG  62  -2.761   2.588   7.141
  461   1HH1  ARG  62          1HH1      ARG  62  -2.672   5.871   8.557
  462   2HH1  ARG  62          2HH1      ARG  62  -2.921   5.242  10.157
  463   1HH2  ARG  62          1HH2      ARG  62  -2.818   1.908   9.151
  464   2HH2  ARG  62          2HH2      ARG  62  -2.945   2.991  10.499
  465    H    ALA  63           H        ALA  63  -1.290   7.426   4.651
  466    HA   ALA  63           HA       ALA  63   0.197   7.264   7.248
  467   1HB   ALA  63          1HB       ALA  63   1.980   6.293   5.813
  468   2HB   ALA  63          2HB       ALA  63   0.467   5.376   5.646
  469   3HB   ALA  63          3HB       ALA  63   0.982   6.519   4.389
  470    H    GLY  64           H        GLY  64  -0.560   9.542   4.824
  471   1HA   GLY  64          1HA       GLY  64   0.265  11.727   4.550
  472   2HA   GLY  64          2HA       GLY  64   1.780  11.284   5.390
  473    H    TYR  65           H        TYR  65   0.801   8.850   3.197
  474    HA   TYR  65           HA       TYR  65   3.035   9.661   1.423
  475   1HB   TYR  65          1HB       TYR  65   2.112   6.914   2.320
  476   2HB   TYR  65          2HB       TYR  65   3.456   7.208   1.240
  477    HD1  TYR  65           HD1      TYR  65   3.702   5.612   3.758
  478    HD2  TYR  65           HD2      TYR  65   4.280   9.838   3.087
  479    HE1  TYR  65           HE1      TYR  65   5.160   5.759   5.779
  480    HE2  TYR  65           HE2      TYR  65   5.649   9.985   5.101
  481    HH   TYR  65           HH       TYR  65   6.297   7.295   7.295
  482    H    HIS  66           H        HIS  66   3.062   8.632  -0.754
  483    HA   HIS  66           HA       HIS  66   0.335   8.617  -2.001
  484   1HB   HIS  66          1HB       HIS  66   2.610  10.591  -2.384
  485   2HB   HIS  66          2HB       HIS  66   1.660  10.164  -3.782
  486    HD1  HIS  66           HD1      HIS  66  -0.721  11.203  -3.999
  487    HD2  HIS  66           HD2      HIS  66   0.870  11.436  -0.143
  488    HE1  HIS  66           HE1      HIS  66  -2.422  12.363  -2.571
  489    HE2  HIS  66           HE2      HIS  66  -1.597  12.231  -0.309
  490    H    ALA  67           H        ALA  67   0.231   7.665  -4.063
  491    HA   ALA  67           HA       ALA  67   2.047   5.455  -4.470
  492   1HB   ALA  67          1HB       ALA  67  -0.358   5.264  -4.838
  493   2HB   ALA  67          2HB       ALA  67  -0.306   6.526  -6.096
  494   3HB   ALA  67          3HB       ALA  67   0.489   4.970  -6.367
  495    H    ARG  68           H        ARG  68   4.078   5.783  -5.237
  496    HA   ARG  68           HA       ARG  68   4.630   7.538  -7.558
  497   1HB   ARG  68          1HB       ARG  68   6.184   7.661  -5.909
  498   2HB   ARG  68          2HB       ARG  68   6.271   5.920  -5.708
  499   1HG   ARG  68          1HG       ARG  68   8.335   6.487  -6.612
  500   2HG   ARG  68          2HG       ARG  68   7.471   5.814  -7.969
  501   1HD   ARG  68          1HD       ARG  68   8.089   8.726  -7.460
  502   2HD   ARG  68          2HD       ARG  68   8.789   7.674  -8.660
  503    HE   ARG  68           HE       ARG  68   6.749   7.632  -9.898
  504   1HH1  ARG  68          1HH1      ARG  68   6.672  10.027  -7.235
  505   2HH1  ARG  68          2HH1      ARG  68   5.448  10.960  -8.017
  506   1HH2  ARG  68          1HH2      ARG  68   5.145   8.857 -10.805
  507   2HH2  ARG  68          2HH2      ARG  68   4.543  10.278 -10.001
  508    H    VAL  69           H        VAL  69   3.164   6.473  -8.633
  509    HA   VAL  69           HA       VAL  69   3.468   3.862  -9.770
  510    HB   VAL  69           HB       VAL  69   2.250   6.306 -11.145
  511   1HG1  VAL  69          1HG1      VAL  69   1.005   4.628 -12.539
  512   2HG1  VAL  69          2HG1      VAL  69   2.743   4.575 -12.831
  513   3HG1  VAL  69          3HG1      VAL  69   1.981   3.332 -11.815
  514   1HG2  VAL  69          1HG2      VAL  69   0.928   4.054  -9.557
  515   2HG2  VAL  69          2HG2      VAL  69   1.085   5.745  -9.035
  516   3HG2  VAL  69          3HG2      VAL  69   0.071   5.346 -10.424
  517    H    LEU  70           H        LEU  70   4.798   2.981 -11.143
  518    HA   LEU  70           HA       LEU  70   6.532   4.614 -12.922
  519   1HB   LEU  70          1HB       LEU  70   8.505   3.568 -12.052
  520   2HB   LEU  70          2HB       LEU  70   7.614   4.251 -10.718
  521    HG   LEU  70           HG       LEU  70   6.627   1.725 -10.563
  522   1HD1  LEU  70          1HD1      LEU  70   7.982   0.825 -12.489
  523   2HD1  LEU  70          2HD1      LEU  70   9.459   1.319 -11.650
  524   3HD1  LEU  70          3HD1      LEU  70   8.411   0.067 -10.956
  525   1HD2  LEU  70          1HD2      LEU  70   8.278   1.279  -8.833
  526   2HD2  LEU  70          2HD2      LEU  70   9.345   2.544  -9.487
  527   3HD2  LEU  70          3HD2      LEU  70   7.772   2.976  -8.779
  528    H    LYS  71           H        LYS  71   7.306   3.573 -14.740
  529    HA   LYS  71           HA       LYS  71   7.268   0.723 -15.118
  530   1HB   LYS  71          1HB       LYS  71   5.479   2.450 -16.895
  531   2HB   LYS  71          2HB       LYS  71   6.016   0.842 -17.335
  532   1HG   LYS  71          1HG       LYS  71   4.138   1.517 -15.045
  533   2HG   LYS  71          2HG       LYS  71   3.708   0.836 -16.586
  534   1HD   LYS  71          1HD       LYS  71   4.683  -1.251 -16.165
  535   2HD   LYS  71          2HD       LYS  71   5.648  -0.686 -14.805
  536   1HE   LYS  71          1HE       LYS  71   2.641  -0.493 -14.632
  537   2HE   LYS  71          2HE       LYS  71   3.399  -2.078 -14.436
  538   1HZ   LYS  71          1HZ       LYS  71   3.114  -0.818 -12.302
  539   2HZ   LYS  71          2HZ       LYS  71   4.650  -1.291 -12.591
  540   3HZ   LYS  71          3HZ       LYS  71   4.242   0.265 -12.850
  541    H    GLN  72           H        GLN  72   8.483   0.097 -17.094
  542    HA   GLN  72           HA       GLN  72   9.904   2.264 -18.520
  543   1HB   GLN  72          1HB       GLN  72  11.271  -0.104 -17.144
  544   2HB   GLN  72          2HB       GLN  72  12.015   0.932 -18.362
  545   1HG   GLN  72          1HG       GLN  72  11.694   2.906 -16.842
  546   2HG   GLN  72          2HG       GLN  72  11.097   1.803 -15.587
  547   1HE2  GLN  72          1HE2      GLN  72  12.707   0.482 -14.420
  548   2HE2  GLN  72          2HE2      GLN  72  14.412   0.664 -14.833
  549    H    GLN  73           H        GLN  73   9.919   1.779 -20.658
  550    HA   GLN  73           HA       GLN  73  10.499  -0.499 -21.976
  551   1HB   GLN  73          1HB       GLN  73   7.679  -0.624 -21.077
  552   2HB   GLN  73          2HB       GLN  73   7.789  -0.608 -22.817
  553   1HG   GLN  73          1HG       GLN  73   9.301  -2.571 -21.036
  554   2HG   GLN  73          2HG       GLN  73   7.792  -2.899 -21.882
  555   1HE2  GLN  73          1HE2      GLN  73   9.340  -4.734 -22.769
  556   2HE2  GLN  73          2HE2      GLN  73  10.177  -4.242 -24.247
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1 -10.656  -8.449  -9.098
    2   2H    MET   1          2H        MET   1 -10.645  -8.298  -7.470
    3   3H    MET   1          3H        MET   1 -12.051  -8.676  -8.246
    4    HA   MET   1           HA       MET   1 -10.952 -10.577  -7.087
    5   1HB   MET   1          1HB       MET   1 -11.447 -10.697 -10.081
    6   2HB   MET   1          2HB       MET   1 -11.090 -12.126  -9.098
    7   1HG   MET   1          1HG       MET   1 -13.051 -11.772  -7.731
    8   2HG   MET   1          2HG       MET   1 -13.420 -10.254  -8.565
    9   1HE   MET   1          1HE       MET   1 -16.322 -12.666  -9.640
   10   2HE   MET   1          2HE       MET   1 -15.490 -12.626  -8.069
   11   3HE   MET   1          3HE       MET   1 -15.911 -11.105  -8.893
   12    H    ALA   2           H        ALA   2  -8.836 -10.337  -6.340
   13    HA   ALA   2           HA       ALA   2  -6.785 -11.193  -6.121
   14   1HB   ALA   2          1HB       ALA   2  -6.159 -13.094  -7.501
   15   2HB   ALA   2          2HB       ALA   2  -7.886 -13.173  -7.121
   16   3HB   ALA   2          3HB       ALA   2  -7.349 -12.656  -8.737
   17    H    GLN   3           H        GLN   3  -7.205  -9.308  -9.021
   18    HA   GLN   3           HA       GLN   3  -4.643  -9.275 -10.081
   19   1HB   GLN   3          1HB       GLN   3  -5.182  -7.038 -10.941
   20   2HB   GLN   3          2HB       GLN   3  -6.518  -8.163 -11.125
   21   1HG   GLN   3          1HG       GLN   3  -6.850  -6.722  -8.605
   22   2HG   GLN   3          2HG       GLN   3  -6.521  -5.573  -9.888
   23   1HE2  GLN   3          1HE2      GLN   3  -8.118  -5.375 -11.651
   24   2HE2  GLN   3          2HE2      GLN   3  -9.713  -6.077 -11.431
   25    H    THR   4           H        THR   4  -2.644  -8.283  -9.698
   26    HA   THR   4           HA       THR   4  -2.356  -6.876  -7.082
   27    HB   THR   4           HB       THR   4  -1.153  -9.041  -7.196
   28    HG1  THR   4           HG1      THR   4   0.944  -7.963  -6.747
   29   1HG2  THR   4          1HG2      THR   4   0.543  -7.691  -9.360
   30   2HG2  THR   4          2HG2      THR   4   0.880  -9.246  -8.567
   31   3HG2  THR   4          3HG2      THR   4  -0.537  -9.079  -9.614
   32    H    ILE   5           H        ILE   5  -0.849  -5.286  -6.903
   33    HA   ILE   5           HA       ILE   5  -0.260  -3.627  -9.300
   34    HB   ILE   5           HB       ILE   5  -1.289  -2.594  -6.619
   35   1HG1  ILE   5          1HG1      ILE   5  -3.186  -3.557  -7.834
   36   2HG1  ILE   5          2HG1      ILE   5  -3.310  -1.818  -7.687
   37   1HG2  ILE   5          1HG2      ILE   5  -0.506  -1.103  -9.157
   38   2HG2  ILE   5          2HG2      ILE   5  -1.339  -0.370  -7.768
   39   3HG2  ILE   5          3HG2      ILE   5   0.285  -1.032  -7.573
   40   1HD1  ILE   5          1HD1      ILE   5  -2.664  -1.516 -10.043
   41   2HD1  ILE   5          2HD1      ILE   5  -2.415  -3.269 -10.218
   42   3HD1  ILE   5          3HD1      ILE   5  -4.035  -2.627  -9.904
   43    H    ASN   6           H        ASN   6   1.839  -3.075  -9.291
   44    HA   ASN   6           HA       ASN   6   3.396  -3.053  -6.764
   45   1HB   ASN   6          1HB       ASN   6   5.348  -3.919  -8.224
   46   2HB   ASN   6          2HB       ASN   6   4.164  -5.046  -7.591
   47   1HD2  ASN   6          1HD2      ASN   6   4.145  -2.968 -10.618
   48   2HD2  ASN   6          2HD2      ASN   6   3.811  -4.381 -11.632
   49    H    LEU   7           H        LEU   7   4.491  -1.259  -6.429
   50    HA   LEU   7           HA       LEU   7   5.298   0.621  -8.515
   51   1HB   LEU   7          1HB       LEU   7   3.723   2.292  -8.115
   52   2HB   LEU   7          2HB       LEU   7   2.792   0.836  -8.325
   53    HG   LEU   7           HG       LEU   7   3.315   2.360  -5.737
   54   1HD1  LEU   7          1HD1      LEU   7   1.602   3.231  -7.284
   55   2HD1  LEU   7          2HD1      LEU   7   0.770   1.661  -7.265
   56   3HD1  LEU   7          3HD1      LEU   7   0.875   2.621  -5.777
   57   1HD2  LEU   7          1HD2      LEU   7   1.792   0.725  -4.610
   58   2HD2  LEU   7          2HD2      LEU   7   1.907  -0.333  -6.033
   59   3HD2  LEU   7          3HD2      LEU   7   3.348   0.031  -5.057
   60    H    GLN   8           H        GLN   8   5.826   2.829  -7.264
   61    HA   GLN   8           HA       GLN   8   7.363   2.258  -4.792
   62   1HB   GLN   8          1HB       GLN   8   7.741   4.193  -7.084
   63   2HB   GLN   8          2HB       GLN   8   8.387   4.571  -5.479
   64   1HG   GLN   8          1HG       GLN   8   9.769   2.627  -5.453
   65   2HG   GLN   8          2HG       GLN   8   8.987   1.926  -6.842
   66   1HE2  GLN   8          1HE2      GLN   8  10.825   4.985  -5.866
   67   2HE2  GLN   8          2HE2      GLN   8  11.624   5.069  -7.426
   68    H    LEU   9           H        LEU   9   7.437   3.964  -3.243
   69    HA   LEU   9           HA       LEU   9   4.733   5.177  -2.923
   70   1HB   LEU   9          1HB       LEU   9   5.220   3.074  -1.723
   71   2HB   LEU   9          2HB       LEU   9   6.559   3.836  -0.876
   72    HG   LEU   9           HG       LEU   9   3.804   5.115  -0.749
   73   1HD1  LEU   9          1HD1      LEU   9   3.346   2.753  -0.288
   74   2HD1  LEU   9          2HD1      LEU   9   4.682   2.690   0.889
   75   3HD1  LEU   9          3HD1      LEU   9   3.261   3.709   1.200
   76   1HD2  LEU   9          1HD2      LEU   9   6.042   4.762   1.324
   77   2HD2  LEU   9          2HD2      LEU   9   5.790   6.228   0.356
   78   3HD2  LEU   9          3HD2      LEU   9   4.569   5.721   1.514
   79    H    GLU  10           H        GLU  10   4.568   7.164  -2.351
   80    HA   GLU  10           HA       GLU  10   6.892   8.949  -2.536
   81   1HB   GLU  10          1HB       GLU  10   4.736   8.946  -3.975
   82   2HB   GLU  10          2HB       GLU  10   3.937   9.551  -2.528
   83   1HG   GLU  10          1HG       GLU  10   6.140  10.966  -4.056
   84   2HG   GLU  10          2HG       GLU  10   4.419  11.283  -4.215
   85    H    GLY  11           H        GLY  11   7.247  10.586  -1.031
   86   1HA   GLY  11          1HA       GLY  11   7.433  11.573   1.024
   87   2HA   GLY  11          2HA       GLY  11   6.021  10.634   1.602
   88    H    MET  12           H        MET  12   6.560   8.215   1.300
   89    HA   MET  12           HA       MET  12   7.003   6.772   3.098
   90   1HB   MET  12          1HB       MET  12   8.830   5.363   2.528
   91   2HB   MET  12          2HB       MET  12   8.105   5.983   1.064
   92   1HG   MET  12          1HG       MET  12  10.167   6.416   0.361
   93   2HG   MET  12          2HG       MET  12  10.119   7.814   1.405
   94   1HE   MET  12          1HE       MET  12  11.800   4.374   0.658
   95   2HE   MET  12          2HE       MET  12  12.308   3.828   2.264
   96   3HE   MET  12          3HE       MET  12  10.572   3.896   1.863
   97    H    ARG  13           H        ARG  13   9.980   6.456   4.026
   98    HA   ARG  13           HA       ARG  13  11.592   7.384   5.304
   99   1HB   ARG  13          1HB       ARG  13  10.884   9.288   3.711
  100   2HB   ARG  13          2HB       ARG  13  10.078   9.976   5.125
  101   1HG   ARG  13          1HG       ARG  13  12.349  10.155   6.220
  102   2HG   ARG  13          2HG       ARG  13  13.045   9.594   4.689
  103   1HD   ARG  13          1HD       ARG  13  13.082  12.021   4.696
  104   2HD   ARG  13          2HD       ARG  13  11.895  11.491   3.506
  105    HE   ARG  13           HE       ARG  13  11.351  12.699   6.183
  106   1HH1  ARG  13          1HH1      ARG  13   9.844  11.532   3.155
  107   2HH1  ARG  13          2HH1      ARG  13   8.366  12.324   3.517
  108   1HH2  ARG  13          1HH2      ARG  13   9.371  13.595   6.578
  109   2HH2  ARG  13          2HH2      ARG  13   8.096  13.486   5.411
  110    H    CYS  14           H        CYS  14  12.175   8.268   7.369
  111    HA   CYS  14           HA       CYS  14  12.108   8.943   9.523
  112   1HB   CYS  14          1HB       CYS  14   9.264   9.791   8.804
  113   2HB   CYS  14          2HB       CYS  14  10.063  10.173  10.328
  114    HG   CYS  14           HG       CYS  14  12.053  11.488   9.419
  115    H    ALA  15           H        ALA  15   9.220   6.878   8.884
  116    HA   ALA  15           HA       ALA  15   9.856   5.285  11.255
  117   1HB   ALA  15          1HB       ALA  15   7.353   7.037  11.186
  118   2HB   ALA  15          2HB       ALA  15   7.708   5.807  12.416
  119   3HB   ALA  15          3HB       ALA  15   8.732   7.239  12.282
  120    H    ALA  16           H        ALA  16   8.124   3.603  11.619
  121    HA   ALA  16           HA       ALA  16   7.830   2.088   9.239
  122   1HB   ALA  16          1HB       ALA  16   6.863   0.405  10.750
  123   2HB   ALA  16          2HB       ALA  16   8.276   1.161  11.497
  124   3HB   ALA  16          3HB       ALA  16   6.636   1.628  12.010
  125    H    CYS  17           H        CYS  17   6.006   4.664   9.502
  126    HA   CYS  17           HA       CYS  17   3.290   4.004   9.476
  127   1HB   CYS  17          1HB       CYS  17   4.842   6.171   7.992
  128   2HB   CYS  17          2HB       CYS  17   3.107   6.207   8.325
  129    HG   CYS  17           HG       CYS  17   3.237   6.305  10.895
  130    H    ALA  18           H        ALA  18   5.685   3.389   6.977
  131    HA   ALA  18           HA       ALA  18   3.786   2.881   4.828
  132   1HB   ALA  18          1HB       ALA  18   5.728   1.888   3.723
  133   2HB   ALA  18          2HB       ALA  18   6.179   3.433   4.454
  134   3HB   ALA  18          3HB       ALA  18   6.641   1.904   5.246
  135    H    SER  19           H        SER  19   5.385   0.710   7.278
  136    HA   SER  19           HA       SER  19   3.945  -1.643   6.266
  137   1HB   SER  19          1HB       SER  19   6.149  -1.723   7.459
  138   2HB   SER  19          2HB       SER  19   5.289  -1.297   8.956
  139    HG   SER  19           HG       SER  19   4.690  -3.545   7.242
  140    H    SER  20           H        SER  20   3.266   0.935   8.576
  141    HA   SER  20           HA       SER  20   0.824  -0.165   9.628
  142   1HB   SER  20          1HB       SER  20   1.937   1.874  10.519
  143   2HB   SER  20          2HB       SER  20   1.439   2.755   9.064
  144    HG   SER  20           HG       SER  20  -0.743   2.048   9.631
  145    H    ILE  21           H        ILE  21   1.490   0.664   6.345
  146    HA   ILE  21           HA       ILE  21  -1.339   0.949   5.504
  147    HB   ILE  21           HB       ILE  21   1.161   0.268   3.898
  148   1HG1  ILE  21          1HG1      ILE  21  -0.338   2.909   4.133
  149   2HG1  ILE  21          2HG1      ILE  21   1.188   2.559   4.925
  150   1HG2  ILE  21          1HG2      ILE  21  -1.709   0.646   3.102
  151   2HG2  ILE  21          2HG2      ILE  21  -0.369   0.854   1.949
  152   3HG2  ILE  21          3HG2      ILE  21  -0.597  -0.685   2.754
  153   1HD1  ILE  21          1HD1      ILE  21   2.255   2.202   2.713
  154   2HD1  ILE  21          2HD1      ILE  21   0.745   2.747   1.935
  155   3HD1  ILE  21          3HD1      ILE  21   1.640   3.851   2.984
  156    H    GLU  22           H        GLU  22   1.178  -1.585   5.264
  157    HA   GLU  22           HA       GLU  22  -0.287  -3.619   4.151
  158   1HB   GLU  22          1HB       GLU  22   1.811  -3.917   6.330
  159   2HB   GLU  22          2HB       GLU  22   1.330  -5.159   5.186
  160   1HG   GLU  22          1HG       GLU  22   2.186  -3.809   3.309
  161   2HG   GLU  22          2HG       GLU  22   2.635  -2.494   4.415
  162    H    ARG  23           H        ARG  23   0.100  -3.093   7.684
  163    HA   ARG  23           HA       ARG  23  -1.565  -5.249   8.482
  164   1HB   ARG  23          1HB       ARG  23   0.273  -4.060   9.750
  165   2HB   ARG  23          2HB       ARG  23  -0.833  -2.728  10.034
  166   1HG   ARG  23          1HG       ARG  23  -0.645  -4.217  11.975
  167   2HG   ARG  23          2HG       ARG  23  -2.300  -4.164  11.377
  168   1HD   ARG  23          1HD       ARG  23  -2.108  -6.355  10.387
  169   2HD   ARG  23          2HD       ARG  23  -0.348  -6.377  10.618
  170    HE   ARG  23           HE       ARG  23  -0.989  -6.166  13.134
  171   1HH1  ARG  23          1HH1      ARG  23  -2.755  -8.265  10.864
  172   2HH1  ARG  23          2HH1      ARG  23  -3.141  -9.406  12.117
  173   1HH2  ARG  23          1HH2      ARG  23  -1.574  -7.661  14.659
  174   2HH2  ARG  23          2HH2      ARG  23  -2.527  -9.044  14.221
  175    H    ALA  24           H        ALA  24  -2.471  -2.177   7.290
  176    HA   ALA  24           HA       ALA  24  -5.210  -2.282   8.453
  177   1HB   ALA  24          1HB       ALA  24  -5.530  -0.121   7.318
  178   2HB   ALA  24          2HB       ALA  24  -4.090  -0.080   8.362
  179   3HB   ALA  24          3HB       ALA  24  -3.916  -0.227   6.598
  180    H    ILE  25           H        ILE  25  -3.534  -2.546   5.260
  181    HA   ILE  25           HA       ILE  25  -5.956  -3.218   3.796
  182    HB   ILE  25           HB       ILE  25  -3.063  -3.841   3.101
  183   1HG1  ILE  25          1HG1      ILE  25  -4.854  -1.545   2.168
  184   2HG1  ILE  25          2HG1      ILE  25  -3.549  -1.388   3.344
  185   1HG2  ILE  25          1HG2      ILE  25  -5.650  -3.918   1.462
  186   2HG2  ILE  25          2HG2      ILE  25  -4.031  -4.062   0.767
  187   3HG2  ILE  25          3HG2      ILE  25  -4.596  -5.296   1.852
  188   1HD1  ILE  25          1HD1      ILE  25  -1.918  -2.179   1.603
  189   2HD1  ILE  25          2HD1      ILE  25  -3.221  -2.101   0.405
  190   3HD1  ILE  25          3HD1      ILE  25  -2.717  -0.633   1.225
  191    H    ALA  26           H        ALA  26  -3.636  -5.140   5.636
  192    HA   ALA  26           HA       ALA  26  -4.612  -7.729   5.247
  193   1HB   ALA  26          1HB       ALA  26  -2.631  -7.095   6.586
  194   2HB   ALA  26          2HB       ALA  26  -3.700  -6.417   7.842
  195   3HB   ALA  26          3HB       ALA  26  -3.718  -8.159   7.489
  196    H    LYS  27           H        LYS  27  -6.650  -5.236   6.141
  197    HA   LYS  27           HA       LYS  27  -8.652  -7.092   7.384
  198   1HB   LYS  27          1HB       LYS  27  -8.682  -4.086   7.319
  199   2HB   LYS  27          2HB       LYS  27  -9.818  -5.177   8.126
  200   1HG   LYS  27          1HG       LYS  27  -7.813  -6.080   9.480
  201   2HG   LYS  27          2HG       LYS  27  -6.884  -4.711   8.813
  202   1HD   LYS  27          1HD       LYS  27  -8.896  -3.288   9.563
  203   2HD   LYS  27          2HD       LYS  27  -9.349  -4.663  10.581
  204   1HE   LYS  27          1HE       LYS  27  -7.088  -4.609  11.645
  205   2HE   LYS  27          2HE       LYS  27  -6.641  -3.229  10.638
  206   1HZ   LYS  27          1HZ       LYS  27  -8.833  -3.272  12.645
  207   2HZ   LYS  27          2HZ       LYS  27  -7.400  -2.485  12.818
  208   3HZ   LYS  27          3HZ       LYS  27  -8.489  -1.989  11.687
  209    H    VAL  28           H        VAL  28  -7.821  -5.833   4.339
  210    HA   VAL  28           HA       VAL  28 -10.549  -5.210   3.403
  211    HB   VAL  28           HB       VAL  28  -7.865  -5.271   1.936
  212   1HG1  VAL  28          1HG1      VAL  28  -9.023  -4.141   0.072
  213   2HG1  VAL  28          2HG1      VAL  28  -9.658  -5.767   0.329
  214   3HG1  VAL  28          3HG1      VAL  28 -10.578  -4.353   0.897
  215   1HG2  VAL  28          1HG2      VAL  28  -8.138  -3.397   3.590
  216   2HG2  VAL  28          2HG2      VAL  28  -8.057  -2.821   1.919
  217   3HG2  VAL  28          3HG2      VAL  28  -9.623  -2.910   2.757
  218    HA   PRO  29           HA       PRO  29 -11.188  -9.477   2.903
  219   1HB   PRO  29          1HB       PRO  29 -13.373  -9.597   1.185
  220   2HB   PRO  29          2HB       PRO  29 -13.457  -9.134   2.913
  221   1HG   PRO  29          1HG       PRO  29 -13.255  -7.303   0.500
  222   2HG   PRO  29          2HG       PRO  29 -14.397  -7.194   1.880
  223   1HD   PRO  29          1HD       PRO  29 -12.159  -5.695   1.834
  224   2HD   PRO  29          2HD       PRO  29 -12.670  -6.475   3.361
  225    H    GLY  30           H        GLY  30 -10.469  -7.527   0.124
  226   1HA   GLY  30          1HA       GLY  30  -9.925  -9.758  -1.687
  227   2HA   GLY  30          2HA       GLY  30  -9.618  -8.010  -1.926
  228    H    VAL  31           H        VAL  31  -8.110  -8.704   0.946
  229    HA   VAL  31           HA       VAL  31  -5.486  -8.331  -0.265
  230    HB   VAL  31           HB       VAL  31  -6.144  -7.472   1.926
  231   1HG1  VAL  31          1HG1      VAL  31  -6.157  -8.700   3.934
  232   2HG1  VAL  31          2HG1      VAL  31  -7.168  -9.668   2.853
  233   3HG1  VAL  31          3HG1      VAL  31  -5.499 -10.161   3.179
  234   1HG2  VAL  31          1HG2      VAL  31  -3.799  -7.605   1.146
  235   2HG2  VAL  31          2HG2      VAL  31  -3.923  -7.754   2.907
  236   3HG2  VAL  31          3HG2      VAL  31  -3.632  -9.197   1.917
  237    H    GLN  32           H        GLN  32  -4.529  -9.879  -1.398
  238    HA   GLN  32           HA       GLN  32  -4.566 -12.711  -0.392
  239   1HB   GLN  32          1HB       GLN  32  -3.275 -13.323  -2.320
  240   2HB   GLN  32          2HB       GLN  32  -4.696 -12.406  -2.804
  241   1HG   GLN  32          1HG       GLN  32  -3.206 -11.390  -4.144
  242   2HG   GLN  32          2HG       GLN  32  -2.997 -10.350  -2.755
  243   1HE2  GLN  32          1HE2      GLN  32  -0.739  -9.953  -2.172
  244   2HE2  GLN  32          2HE2      GLN  32   0.486 -11.079  -2.744
  245    H    SER  33           H        SER  33  -2.436  -9.870  -0.565
  246    HA   SER  33           HA       SER  33  -1.208 -10.193   1.859
  247   1HB   SER  33          1HB       SER  33   0.320 -11.765  -0.221
  248   2HB   SER  33          2HB       SER  33   1.190 -10.868   1.037
  249    HG   SER  33           HG       SER  33  -0.880 -12.733   1.445
  250    H    CYS  34           H        CYS  34   0.429  -8.712   2.237
  251    HA   CYS  34           HA       CYS  34   0.916  -6.621   0.168
  252   1HB   CYS  34          1HB       CYS  34   0.988  -6.332   3.210
  253   2HB   CYS  34          2HB       CYS  34   0.927  -5.035   2.013
  254    HG   CYS  34           HG       CYS  34  -1.340  -5.409   3.614
  255    H    GLN  35           H        GLN  35   3.069  -5.968  -0.074
  256    HA   GLN  35           HA       GLN  35   5.025  -6.583   2.034
  257   1HB   GLN  35          1HB       GLN  35   5.569  -7.227  -0.891
  258   2HB   GLN  35          2HB       GLN  35   6.757  -7.231   0.407
  259   1HG   GLN  35          1HG       GLN  35   5.550  -9.094   1.513
  260   2HG   GLN  35          2HG       GLN  35   4.344  -9.082   0.221
  261   1HE2  GLN  35          1HE2      GLN  35   5.238 -11.457   0.361
  262   2HE2  GLN  35          2HE2      GLN  35   6.517 -11.765  -0.824
  263    H    VAL  36           H        VAL  36   5.724  -4.549   2.522
  264    HA   VAL  36           HA       VAL  36   6.439  -2.706   0.284
  265    HB   VAL  36           HB       VAL  36   4.756  -1.949   2.047
  266   1HG1  VAL  36          1HG1      VAL  36   6.108  -2.728   4.081
  267   2HG1  VAL  36          2HG1      VAL  36   7.192  -1.359   3.776
  268   3HG1  VAL  36          3HG1      VAL  36   5.483  -1.071   4.138
  269   1HG2  VAL  36          1HG2      VAL  36   5.596   0.340   2.062
  270   2HG2  VAL  36          2HG2      VAL  36   7.219  -0.217   1.596
  271   3HG2  VAL  36          3HG2      VAL  36   5.843  -0.404   0.488
  272    H    ASN  37           H        ASN  37   8.486  -2.143  -0.069
  273    HA   ASN  37           HA       ASN  37  10.626  -3.195   1.739
  274   1HB   ASN  37          1HB       ASN  37  10.679  -3.760  -0.690
  275   2HB   ASN  37          2HB       ASN  37  10.872  -2.044  -1.064
  276   1HD2  ASN  37          1HD2      ASN  37  12.596  -4.798  -0.875
  277   2HD2  ASN  37          2HD2      ASN  37  14.143  -4.157  -0.319
  278    H    PHE  38           H        PHE  38  10.591  -1.714   3.418
  279    HA   PHE  38           HA       PHE  38  10.404   1.135   2.908
  280   1HB   PHE  38          1HB       PHE  38   9.370  -0.087   4.850
  281   2HB   PHE  38          2HB       PHE  38  10.984  -0.240   5.545
  282    HD1  PHE  38           HD1      PHE  38  11.691   1.500   7.016
  283    HD2  PHE  38           HD2      PHE  38   8.698   2.351   4.034
  284    HE1  PHE  38           HE1      PHE  38  11.415   3.788   7.937
  285    HE2  PHE  38           HE2      PHE  38   8.412   4.632   4.969
  286    HZ   PHE  38           HZ       PHE  38   9.766   5.346   6.920
  287    H    ALA  39           H        ALA  39  12.343   0.653   1.415
  288    HA   ALA  39           HA       ALA  39  14.476   2.335   2.344
  289   1HB   ALA  39          1HB       ALA  39  15.368   0.240   3.271
  290   2HB   ALA  39          2HB       ALA  39  15.115  -0.602   1.730
  291   3HB   ALA  39          3HB       ALA  39  16.317   0.705   1.849
  292    H    LEU  40           H        LEU  40  13.886  -0.229  -0.190
  293    HA   LEU  40           HA       LEU  40  14.585   1.648  -2.294
  294   1HB   LEU  40          1HB       LEU  40  15.764  -0.357  -2.365
  295   2HB   LEU  40          2HB       LEU  40  14.421  -1.309  -1.769
  296    HG   LEU  40           HG       LEU  40  13.326  -1.244  -3.835
  297   1HD1  LEU  40          1HD1      LEU  40  15.869   0.043  -4.979
  298   2HD1  LEU  40          2HD1      LEU  40  14.479  -0.509  -5.938
  299   3HD1  LEU  40          3HD1      LEU  40  14.315   0.877  -4.849
  300   1HD2  LEU  40          1HD2      LEU  40  16.172  -2.279  -3.995
  301   2HD2  LEU  40          2HD2      LEU  40  14.774  -3.112  -3.281
  302   3HD2  LEU  40          3HD2      LEU  40  14.827  -2.815  -5.026
  303    H    GLU  41           H        GLU  41  12.228   2.111  -0.791
  304    HA   GLU  41           HA       GLU  41  10.165   2.971  -1.020
  305   1HB   GLU  41          1HB       GLU  41  11.136   3.189  -3.891
  306   2HB   GLU  41          2HB       GLU  41   9.735   4.031  -3.214
  307   1HG   GLU  41          1HG       GLU  41  11.337   5.065  -1.526
  308   2HG   GLU  41          2HG       GLU  41  12.656   4.410  -2.507
  309    H    GLN  42           H        GLN  42  10.435  -0.034  -2.822
  310    HA   GLN  42           HA       GLN  42   7.974   0.344  -4.171
  311   1HB   GLN  42          1HB       GLN  42   8.017  -1.824  -4.950
  312   2HB   GLN  42          2HB       GLN  42   9.657  -1.271  -4.917
  313   1HG   GLN  42          1HG       GLN  42   9.086  -2.631  -2.360
  314   2HG   GLN  42          2HG       GLN  42   8.287  -3.559  -3.584
  315   1HE2  GLN  42          1HE2      GLN  42  11.406  -1.969  -4.393
  316   2HE2  GLN  42          2HE2      GLN  42  12.314  -3.462  -4.197
  317    H    ALA  43           H        ALA  43   5.980  -0.549  -3.951
  318    HA   ALA  43           HA       ALA  43   5.449  -2.335  -1.643
  319   1HB   ALA  43          1HB       ALA  43   3.137  -1.518  -1.450
  320   2HB   ALA  43          2HB       ALA  43   4.272  -0.193  -1.142
  321   3HB   ALA  43          3HB       ALA  43   3.439  -0.292  -2.702
  322    H    VAL  44           H        VAL  44   4.483  -4.192  -2.186
  323    HA   VAL  44           HA       VAL  44   2.982  -4.287  -4.750
  324    HB   VAL  44           HB       VAL  44   4.905  -5.628  -5.232
  325   1HG1  VAL  44          1HG1      VAL  44   5.494  -7.688  -4.078
  326   2HG1  VAL  44          2HG1      VAL  44   5.625  -6.311  -2.981
  327   3HG1  VAL  44          3HG1      VAL  44   4.233  -7.421  -2.864
  328   1HG2  VAL  44          1HG2      VAL  44   3.825  -7.670  -5.954
  329   2HG2  VAL  44          2HG2      VAL  44   2.524  -7.470  -4.768
  330   3HG2  VAL  44          3HG2      VAL  44   2.685  -6.324  -6.116
  331    H    VAL  45           H        VAL  45   0.940  -4.822  -4.549
  332    HA   VAL  45           HA       VAL  45   0.113  -6.616  -2.361
  333    HB   VAL  45           HB       VAL  45  -1.440  -4.028  -2.599
  334   1HG1  VAL  45          1HG1      VAL  45  -2.341  -4.710  -0.404
  335   2HG1  VAL  45          2HG1      VAL  45  -2.633  -5.944  -1.628
  336   3HG1  VAL  45          3HG1      VAL  45  -1.343  -6.171  -0.443
  337   1HG2  VAL  45          1HG2      VAL  45   0.657  -4.516  -0.464
  338   2HG2  VAL  45          2HG2      VAL  45   0.723  -3.289  -1.751
  339   3HG2  VAL  45          3HG2      VAL  45  -0.518  -3.194  -0.506
  340    H    SER  46           H        SER  46  -1.605  -7.792  -2.866
  341    HA   SER  46           HA       SER  46  -3.451  -6.827  -4.993
  342   1HB   SER  46          1HB       SER  46  -2.891  -8.603  -6.151
  343   2HB   SER  46          2HB       SER  46  -2.309  -9.542  -4.857
  344    HG   SER  46           HG       SER  46  -4.434  -9.984  -6.055
  345    H    TYR  47           H        TYR  47  -5.414  -6.526  -4.327
  346    HA   TYR  47           HA       TYR  47  -6.332  -7.113  -1.632
  347   1HB   TYR  47          1HB       TYR  47  -6.232  -4.817  -0.857
  348   2HB   TYR  47          2HB       TYR  47  -4.715  -5.626  -0.992
  349    HD1  TYR  47           HD1      TYR  47  -3.927  -4.983  -3.918
  350    HD2  TYR  47           HD2      TYR  47  -5.580  -2.591  -0.754
  351    HE1  TYR  47           HE1      TYR  47  -2.775  -3.042  -4.828
  352    HE2  TYR  47           HE2      TYR  47  -4.295  -0.640  -1.600
  353    HH   TYR  47           HH       TYR  47  -2.227  -0.835  -4.525
  354    H    HIS  48           H        HIS  48  -7.534  -7.677  -4.004
  355    HA   HIS  48           HA       HIS  48  -9.984  -5.946  -4.011
  356   1HB   HIS  48          1HB       HIS  48  -8.658  -6.840  -6.599
  357   2HB   HIS  48          2HB       HIS  48  -9.859  -5.583  -6.350
  358    HD2  HIS  48           HD2      HIS  48  -6.099  -6.355  -5.970
  359    HE1  HIS  48           HE1      HIS  48  -6.494  -2.106  -5.769
  360    HE2  HIS  48           HE2      HIS  48  -4.833  -4.033  -5.932
  361    H    GLY  49           H        GLY  49 -11.533  -7.545  -3.279
  362   1HA   GLY  49          1HA       GLY  49 -11.102 -10.387  -3.923
  363   2HA   GLY  49          2HA       GLY  49 -12.405  -9.667  -2.944
  364    H    GLU  50           H        GLU  50 -12.813  -7.793  -5.206
  365    HA   GLU  50           HA       GLU  50 -14.727  -9.308  -6.868
  366   1HB   GLU  50          1HB       GLU  50 -16.491  -7.943  -5.882
  367   2HB   GLU  50          2HB       GLU  50 -15.687  -8.960  -4.718
  368   1HG   GLU  50          1HG       GLU  50 -15.694  -5.946  -4.853
  369   2HG   GLU  50          2HG       GLU  50 -16.157  -7.011  -3.546
  370    H    THR  51           H        THR  51 -14.785  -5.813  -6.266
  371    HA   THR  51           HA       THR  51 -13.228  -5.008  -8.558
  372    HB   THR  51           HB       THR  51 -16.263  -4.875  -8.729
  373    HG1  THR  51           HG1      THR  51 -14.653  -6.588  -9.561
  374   1HG2  THR  51          1HG2      THR  51 -14.181  -3.400 -10.409
  375   2HG2  THR  51          2HG2      THR  51 -15.903  -3.561 -10.818
  376   3HG2  THR  51          3HG2      THR  51 -15.425  -2.651  -9.376
  377    H    THR  52           H        THR  52 -12.345  -3.155  -7.896
  378    HA   THR  52           HA       THR  52 -13.388  -2.020  -5.397
  379    HB   THR  52           HB       THR  52 -10.849  -1.349  -5.251
  380    HG1  THR  52           HG1      THR  52  -9.593  -2.881  -6.446
  381   1HG2  THR  52          1HG2      THR  52 -10.294  -3.499  -4.267
  382   2HG2  THR  52          2HG2      THR  52 -11.977  -3.127  -3.874
  383   3HG2  THR  52          3HG2      THR  52 -11.615  -4.296  -5.155
  384    HA   PRO  53           HA       PRO  53 -12.956   2.162  -7.202
  385   1HB   PRO  53          1HB       PRO  53 -13.591   3.627  -5.014
  386   2HB   PRO  53          2HB       PRO  53 -14.837   2.680  -5.882
  387   1HG   PRO  53          1HG       PRO  53 -13.305   1.883  -3.387
  388   2HG   PRO  53          2HG       PRO  53 -15.074   1.817  -3.661
  389   1HD   PRO  53          1HD       PRO  53 -13.365  -0.327  -3.999
  390   2HD   PRO  53          2HD       PRO  53 -14.874  -0.132  -4.944
  391    H    GLN  54           H        GLN  54 -11.598   4.129  -6.345
  392    HA   GLN  54           HA       GLN  54  -8.938   3.369  -5.971
  393   1HB   GLN  54          1HB       GLN  54  -8.476   5.751  -5.768
  394   2HB   GLN  54          2HB       GLN  54  -9.588   5.430  -7.068
  395   1HG   GLN  54          1HG       GLN  54 -10.667   6.116  -4.291
  396   2HG   GLN  54          2HG       GLN  54  -9.988   7.366  -5.287
  397   1HE2  GLN  54          1HE2      GLN  54 -12.789   7.349  -4.501
  398   2HE2  GLN  54          2HE2      GLN  54 -13.686   7.069  -5.999
  399    H    ILE  55           H        ILE  55 -10.779   2.633  -3.519
  400    HA   ILE  55           HA       ILE  55  -9.475   3.833  -1.202
  401    HB   ILE  55           HB       ILE  55 -10.972   1.221  -1.585
  402   1HG1  ILE  55          1HG1      ILE  55 -12.380   3.218  -1.850
  403   2HG1  ILE  55          2HG1      ILE  55 -12.808   2.307  -0.415
  404   1HG2  ILE  55          1HG2      ILE  55  -9.546   0.820   0.304
  405   2HG2  ILE  55          2HG2      ILE  55  -9.908   2.406   1.008
  406   3HG2  ILE  55          3HG2      ILE  55 -11.164   1.152   0.919
  407   1HD1  ILE  55          1HD1      ILE  55 -12.916   4.694   0.028
  408   2HD1  ILE  55          2HD1      ILE  55 -11.601   4.005   0.989
  409   3HD1  ILE  55          3HD1      ILE  55 -11.243   4.927  -0.490
  410    H    LEU  56           H        LEU  56  -8.417   1.732  -3.602
  411    HA   LEU  56           HA       LEU  56  -6.328   0.299  -2.195
  412   1HB   LEU  56          1HB       LEU  56  -5.510  -0.256  -4.382
  413   2HB   LEU  56          2HB       LEU  56  -7.255  -0.308  -4.409
  414    HG   LEU  56           HG       LEU  56  -6.899   2.246  -5.313
  415   1HD1  LEU  56          1HD1      LEU  56  -4.379   2.043  -5.222
  416   2HD1  LEU  56          2HD1      LEU  56  -4.480   0.720  -6.390
  417   3HD1  LEU  56          3HD1      LEU  56  -4.998   2.355  -6.849
  418   1HD2  LEU  56          1HD2      LEU  56  -7.194   1.384  -7.582
  419   2HD2  LEU  56          2HD2      LEU  56  -6.698  -0.238  -7.059
  420   3HD2  LEU  56          3HD2      LEU  56  -8.202   0.482  -6.439
  421    H    THR  57           H        THR  57  -6.545   3.517  -3.568
  422    HA   THR  57           HA       THR  57  -3.795   4.248  -2.745
  423    HB   THR  57           HB       THR  57  -4.882   6.606  -3.580
  424    HG1  THR  57           HG1      THR  57  -6.830   5.421  -4.175
  425   1HG2  THR  57          1HG2      THR  57  -2.788   5.623  -4.377
  426   2HG2  THR  57          2HG2      THR  57  -3.687   4.414  -5.326
  427   3HG2  THR  57          3HG2      THR  57  -3.788   6.139  -5.748
  428    H    ASP  58           H        ASP  58  -7.113   4.711  -1.575
  429    HA   ASP  58           HA       ASP  58  -6.649   6.773   0.336
  430   1HB   ASP  58          1HB       ASP  58  -8.872   5.849  -0.151
  431   2HB   ASP  58          2HB       ASP  58  -8.380   4.291   0.530
  432    H    ALA  59           H        ALA  59  -6.144   3.207   0.652
  433    HA   ALA  59           HA       ALA  59  -4.872   3.410   3.164
  434   1HB   ALA  59          1HB       ALA  59  -4.520   1.282   0.996
  435   2HB   ALA  59          2HB       ALA  59  -4.188   1.081   2.734
  436   3HB   ALA  59          3HB       ALA  59  -5.856   1.333   2.174
  437    H    VAL  60           H        VAL  60  -3.555   4.825   0.497
  438    HA   VAL  60           HA       VAL  60  -0.847   4.705   1.806
  439    HB   VAL  60           HB       VAL  60  -1.325   6.047  -0.871
  440   1HG1  VAL  60          1HG1      VAL  60   1.114   4.733   0.404
  441   2HG1  VAL  60          2HG1      VAL  60   1.070   5.525  -1.185
  442   3HG1  VAL  60          3HG1      VAL  60   0.801   6.469   0.278
  443   1HG2  VAL  60          1HG2      VAL  60  -0.647   3.096  -0.482
  444   2HG2  VAL  60          2HG2      VAL  60  -2.108   3.739  -1.262
  445   3HG2  VAL  60          3HG2      VAL  60  -0.536   3.989  -2.015
  446    H    GLU  61           H        GLU  61  -3.575   6.819   0.970
  447    HA   GLU  61           HA       GLU  61  -2.384   9.306   1.909
  448   1HB   GLU  61          1HB       GLU  61  -5.261   8.394   1.546
  449   2HB   GLU  61          2HB       GLU  61  -4.831  10.007   2.094
  450   1HG   GLU  61          1HG       GLU  61  -3.883   8.850  -0.558
  451   2HG   GLU  61          2HG       GLU  61  -5.387   9.745  -0.358
  452    H    ARG  62           H        ARG  62  -4.033   6.587   3.430
  453    HA   ARG  62           HA       ARG  62  -4.544   7.424   5.996
  454   1HB   ARG  62          1HB       ARG  62  -4.327   5.160   6.652
  455   2HB   ARG  62          2HB       ARG  62  -4.777   5.122   4.965
  456   1HG   ARG  62          1HG       ARG  62  -3.142   3.511   5.030
  457   2HG   ARG  62          2HG       ARG  62  -2.224   4.906   4.470
  458   1HD   ARG  62          1HD       ARG  62  -0.833   3.765   6.012
  459   2HD   ARG  62          2HD       ARG  62  -1.357   5.134   6.914
  460    HE   ARG  62           HE       ARG  62  -2.103   2.320   7.266
  461   1HH1  ARG  62          1HH1      ARG  62  -2.743   5.648   8.394
  462   2HH1  ARG  62          2HH1      ARG  62  -3.440   5.082   9.873
  463   1HH2  ARG  62          1HH2      ARG  62  -2.984   1.692   9.095
  464   2HH2  ARG  62          2HH2      ARG  62  -3.623   2.829  10.272
  465    H    ALA  63           H        ALA  63  -1.379   7.302   4.568
  466    HA   ALA  63           HA       ALA  63  -0.064   7.778   7.235
  467   1HB   ALA  63          1HB       ALA  63   2.005   7.066   6.029
  468   2HB   ALA  63          2HB       ALA  63   0.778   5.794   6.077
  469   3HB   ALA  63          3HB       ALA  63   1.022   6.731   4.588
  470    H    GLY  64           H        GLY  64  -1.191   9.569   4.576
  471   1HA   GLY  64          1HA       GLY  64  -0.782  11.778   3.982
  472   2HA   GLY  64          2HA       GLY  64   0.673  11.816   5.031
  473    H    TYR  65           H        TYR  65   0.570   8.974   3.233
  474    HA   TYR  65           HA       TYR  65   2.696   9.923   1.464
  475   1HB   TYR  65          1HB       TYR  65   1.714   7.149   2.205
  476   2HB   TYR  65          2HB       TYR  65   3.057   7.452   1.134
  477    HD1  TYR  65           HD1      TYR  65   4.018   9.874   3.242
  478    HD2  TYR  65           HD2      TYR  65   3.168   5.646   3.422
  479    HE1  TYR  65           HE1      TYR  65   5.611   9.626   5.118
  480    HE2  TYR  65           HE2      TYR  65   4.789   5.404   5.273
  481    HH   TYR  65           HH       TYR  65   6.802   8.078   6.427
  482    H    HIS  66           H        HIS  66   2.781   9.014  -0.788
  483    HA   HIS  66           HA       HIS  66   0.063   8.659  -1.989
  484   1HB   HIS  66          1HB       HIS  66   2.193  10.501  -3.195
  485   2HB   HIS  66          2HB       HIS  66   0.573  10.198  -3.799
  486    HD1  HIS  66           HD1      HIS  66   2.412  12.248  -1.168
  487    HD2  HIS  66           HD2      HIS  66  -1.473  10.859  -2.040
  488    HE1  HIS  66           HE1      HIS  66   0.820  13.261   0.604
  489    HE2  HIS  66           HE2      HIS  66  -1.562  12.331   0.037
  490    H    ALA  67           H        ALA  67  -0.045   7.516  -3.962
  491    HA   ALA  67           HA       ALA  67   1.983   5.429  -4.325
  492   1HB   ALA  67          1HB       ALA  67  -0.370   4.872  -4.604
  493   2HB   ALA  67          2HB       ALA  67  -0.616   6.214  -5.749
  494   3HB   ALA  67          3HB       ALA  67   0.359   4.832  -6.222
  495    H    ARG  68           H        ARG  68   3.687   5.439  -5.806
  496    HA   ARG  68           HA       ARG  68   3.469   7.247  -8.145
  497   1HB   ARG  68          1HB       ARG  68   5.784   7.905  -8.046
  498   2HB   ARG  68          2HB       ARG  68   4.813   8.514  -6.716
  499   1HG   ARG  68          1HG       ARG  68   5.908   6.915  -5.165
  500   2HG   ARG  68          2HG       ARG  68   6.879   6.286  -6.524
  501   1HD   ARG  68          1HD       ARG  68   7.786   8.555  -6.932
  502   2HD   ARG  68          2HD       ARG  68   6.799   9.188  -5.617
  503    HE   ARG  68           HE       ARG  68   8.925   7.146  -5.012
  504   1HH1  ARG  68          1HH1      ARG  68   7.779  10.498  -4.536
  505   2HH1  ARG  68          2HH1      ARG  68   9.206  10.895  -3.638
  506   1HH2  ARG  68          1HH2      ARG  68  10.709   7.809  -3.905
  507   2HH2  ARG  68          2HH2      ARG  68  10.816   9.401  -3.260
  508    H    VAL  69           H        VAL  69   4.073   6.430 -10.091
  509    HA   VAL  69           HA       VAL  69   4.390   3.607 -10.190
  510    HB   VAL  69           HB       VAL  69   4.504   4.048 -12.646
  511   1HG1  VAL  69          1HG1      VAL  69   2.141   5.303 -11.201
  512   2HG1  VAL  69          2HG1      VAL  69   2.131   4.653 -12.854
  513   3HG1  VAL  69          3HG1      VAL  69   2.385   3.565 -11.480
  514   1HG2  VAL  69          1HG2      VAL  69   3.981   6.961 -11.939
  515   2HG2  VAL  69          2HG2      VAL  69   5.466   6.324 -12.684
  516   3HG2  VAL  69          3HG2      VAL  69   3.934   6.246 -13.560
  517    H    LEU  70           H        LEU  70   5.974   2.359 -10.820
  518    HA   LEU  70           HA       LEU  70   8.718   3.494 -10.879
  519   1HB   LEU  70          1HB       LEU  70   9.527   1.504 -10.120
  520   2HB   LEU  70          2HB       LEU  70   8.071   1.738  -9.210
  521    HG   LEU  70           HG       LEU  70   6.990   0.083 -10.974
  522   1HD1  LEU  70          1HD1      LEU  70   8.912  -0.081 -12.546
  523   2HD1  LEU  70          2HD1      LEU  70   9.981  -0.560 -11.217
  524   3HD1  LEU  70          3HD1      LEU  70   8.680  -1.634 -11.745
  525   1HD2  LEU  70          1HD2      LEU  70   9.010  -0.881  -8.893
  526   2HD2  LEU  70          2HD2      LEU  70   7.342  -0.393  -8.551
  527   3HD2  LEU  70          3HD2      LEU  70   7.650  -1.819  -9.549
  528    H    LYS  71           H        LYS  71  10.077   3.034 -12.655
  529    HA   LYS  71           HA       LYS  71   8.537   3.408 -15.041
  530   1HB   LYS  71          1HB       LYS  71  10.669   4.051 -16.055
  531   2HB   LYS  71          2HB       LYS  71  10.335   4.866 -14.528
  532   1HG   LYS  71          1HG       LYS  71  11.906   3.343 -13.346
  533   2HG   LYS  71          2HG       LYS  71  12.286   2.532 -14.862
  534   1HD   LYS  71          1HD       LYS  71  12.766   5.477 -14.254
  535   2HD   LYS  71          2HD       LYS  71  13.984   4.190 -14.185
  536   1HE   LYS  71          1HE       LYS  71  13.622   3.726 -16.616
  537   2HE   LYS  71          2HE       LYS  71  12.451   5.046 -16.686
  538   1HZ   LYS  71          1HZ       LYS  71  14.226   6.570 -16.022
  539   2HZ   LYS  71          2HZ       LYS  71  15.315   5.340 -15.988
  540   3HZ   LYS  71          3HZ       LYS  71  14.635   5.792 -17.413
  541    H    GLN  72           H        GLN  72   7.642   1.098 -14.965
  542    HA   GLN  72           HA       GLN  72   9.229  -0.613 -16.860
  543   1HB   GLN  72          1HB       GLN  72   8.185  -2.546 -15.847
  544   2HB   GLN  72          2HB       GLN  72   9.024  -1.622 -14.605
  545   1HG   GLN  72          1HG       GLN  72   6.871  -0.648 -13.838
  546   2HG   GLN  72          2HG       GLN  72   6.001  -1.500 -15.112
  547   1HE2  GLN  72          1HE2      GLN  72   5.896  -1.689 -12.039
  548   2HE2  GLN  72          2HE2      GLN  72   5.996  -3.447 -11.850
  549    H    GLN  73           H        GLN  73   8.113  -1.688 -18.520
  550    HA   GLN  73           HA       GLN  73   5.437  -2.294 -18.382
  551   1HB   GLN  73          1HB       GLN  73   5.094   0.106 -19.177
  552   2HB   GLN  73          2HB       GLN  73   5.933  -0.319 -20.664
  553   1HG   GLN  73          1HG       GLN  73   4.181  -1.763 -21.362
  554   2HG   GLN  73          2HG       GLN  73   3.566  -1.973 -19.715
  555   1HE2  GLN  73          1HE2      GLN  73   2.755   0.242 -18.658
  556   2HE2  GLN  73          2HE2      GLN  73   1.746   1.145 -19.789
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1  -2.156 -11.372 -15.761
    2   2H    MET   1          2H        MET   1  -0.706 -10.572 -15.715
    3   3H    MET   1          3H        MET   1  -2.086  -9.873 -15.120
    4    HA   MET   1           HA       MET   1  -0.802 -12.278 -14.017
    5   1HB   MET   1          1HB       MET   1  -0.937  -9.480 -12.795
    6   2HB   MET   1          2HB       MET   1  -0.176 -10.916 -12.099
    7   1HG   MET   1          1HG       MET   1   0.742  -9.255 -14.445
    8   2HG   MET   1          2HG       MET   1   1.606  -9.671 -12.968
    9   1HE   MET   1          1HE       MET   1   3.905 -11.424 -15.548
   10   2HE   MET   1          2HE       MET   1   3.140  -9.824 -15.646
   11   3HE   MET   1          3HE       MET   1   3.815 -10.397 -14.103
   12    H    ALA   2           H        ALA   2  -1.740 -12.503 -11.608
   13    HA   ALA   2           HA       ALA   2  -4.650 -12.349 -11.498
   14   1HB   ALA   2          1HB       ALA   2  -3.290 -13.954 -10.147
   15   2HB   ALA   2          2HB       ALA   2  -2.553 -12.584  -9.279
   16   3HB   ALA   2          3HB       ALA   2  -4.291 -12.912  -9.137
   17    H    GLN   3           H        GLN   3  -5.542 -11.001  -9.529
   18    HA   GLN   3           HA       GLN   3  -5.157  -8.238 -10.258
   19   1HB   GLN   3          1HB       GLN   3  -7.061  -7.751  -8.974
   20   2HB   GLN   3          2HB       GLN   3  -7.370  -9.173  -9.937
   21   1HG   GLN   3          1HG       GLN   3  -6.904  -9.170  -6.913
   22   2HG   GLN   3          2HG       GLN   3  -8.445  -9.171  -7.726
   23   1HE2  GLN   3          1HE2      GLN   3  -8.582 -11.066  -6.122
   24   2HE2  GLN   3          2HE2      GLN   3  -8.097 -12.622  -6.807
   25    H    THR   4           H        THR   4  -2.805  -8.435  -9.591
   26    HA   THR   4           HA       THR   4  -2.504  -7.133  -6.923
   27    HB   THR   4           HB       THR   4  -1.183  -9.222  -6.912
   28    HG1  THR   4           HG1      THR   4   0.794  -8.103  -6.480
   29   1HG2  THR   4          1HG2      THR   4  -0.705  -9.432  -9.368
   30   2HG2  THR   4          2HG2      THR   4   0.358  -8.010  -9.265
   31   3HG2  THR   4          3HG2      THR   4   0.760  -9.490  -8.371
   32    H    ILE   5           H        ILE   5  -1.275  -5.347  -6.803
   33    HA   ILE   5           HA       ILE   5  -0.709  -3.811  -9.297
   34    HB   ILE   5           HB       ILE   5  -1.813  -2.673  -6.689
   35   1HG1  ILE   5          1HG1      ILE   5  -3.644  -3.901  -7.734
   36   2HG1  ILE   5          2HG1      ILE   5  -3.916  -2.176  -7.796
   37   1HG2  ILE   5          1HG2      ILE   5  -1.210  -1.367  -9.373
   38   2HG2  ILE   5          2HG2      ILE   5  -2.083  -0.581  -8.040
   39   3HG2  ILE   5          3HG2      ILE   5  -0.406  -1.075  -7.818
   40   1HD1  ILE   5          1HD1      ILE   5  -4.607  -3.288  -9.876
   41   2HD1  ILE   5          2HD1      ILE   5  -3.318  -2.115 -10.186
   42   3HD1  ILE   5          3HD1      ILE   5  -2.952  -3.856 -10.152
   43    H    ASN   6           H        ASN   6   1.328  -2.938  -9.249
   44    HA   ASN   6           HA       ASN   6   2.864  -2.947  -6.712
   45   1HB   ASN   6          1HB       ASN   6   4.865  -3.659  -7.910
   46   2HB   ASN   6          2HB       ASN   6   3.610  -4.888  -8.007
   47   1HD2  ASN   6          1HD2      ASN   6   2.284  -4.943 -10.074
   48   2HD2  ASN   6          2HD2      ASN   6   3.115  -4.428 -11.547
   49    H    LEU   7           H        LEU   7   3.853  -1.064  -6.294
   50    HA   LEU   7           HA       LEU   7   4.517   0.865  -8.336
   51   1HB   LEU   7          1HB       LEU   7   2.969   2.485  -8.000
   52   2HB   LEU   7          2HB       LEU   7   1.991   1.051  -8.025
   53    HG   LEU   7           HG       LEU   7   2.703   2.788  -5.637
   54   1HD1  LEU   7          1HD1      LEU   7   0.882   3.568  -7.073
   55   2HD1  LEU   7          2HD1      LEU   7   0.060   1.997  -6.927
   56   3HD1  LEU   7          3HD1      LEU   7   0.247   3.038  -5.503
   57   1HD2  LEU   7          1HD2      LEU   7   1.300   1.248  -4.244
   58   2HD2  LEU   7          2HD2      LEU   7   1.232   0.100  -5.600
   59   3HD2  LEU   7          3HD2      LEU   7   2.777   0.458  -4.797
   60    H    GLN   8           H        GLN   8   5.052   3.068  -6.992
   61    HA   GLN   8           HA       GLN   8   6.796   2.239  -4.727
   62   1HB   GLN   8          1HB       GLN   8   7.173   4.272  -6.884
   63   2HB   GLN   8          2HB       GLN   8   7.947   4.469  -5.292
   64   1HG   GLN   8          1HG       GLN   8   9.115   2.373  -5.499
   65   2HG   GLN   8          2HG       GLN   8   8.214   1.931  -6.946
   66   1HE2  GLN   8          1HE2      GLN   8  10.642   4.474  -5.728
   67   2HE2  GLN   8          2HE2      GLN   8  11.307   4.572  -7.305
   68    H    LEU   9           H        LEU   9   7.052   3.821  -3.051
   69    HA   LEU   9           HA       LEU   9   4.404   5.075  -2.496
   70   1HB   LEU   9          1HB       LEU   9   4.982   2.927  -1.271
   71   2HB   LEU   9          2HB       LEU   9   6.335   3.784  -0.551
   72    HG   LEU   9           HG       LEU   9   4.569   5.524   0.261
   73   1HD1  LEU   9          1HD1      LEU   9   2.721   4.808  -1.171
   74   2HD1  LEU   9          2HD1      LEU   9   2.701   3.215  -0.384
   75   3HD1  LEU   9          3HD1      LEU   9   2.315   4.684   0.547
   76   1HD2  LEU   9          1HD2      LEU   9   3.973   4.154   2.244
   77   2HD2  LEU   9          2HD2      LEU   9   4.410   2.667   1.373
   78   3HD2  LEU   9          3HD2      LEU   9   5.655   3.849   1.802
   79    H    GLU  10           H        GLU  10   4.390   7.160  -1.673
   80    HA   GLU  10           HA       GLU  10   6.805   8.621  -2.453
   81   1HB   GLU  10          1HB       GLU  10   4.299   9.002  -3.201
   82   2HB   GLU  10          2HB       GLU  10   4.146   9.811  -1.638
   83   1HG   GLU  10          1HG       GLU  10   4.529  11.508  -3.238
   84   2HG   GLU  10          2HG       GLU  10   6.063  11.335  -2.382
   85    H    GLY  11           H        GLY  11   8.102   9.726  -1.083
   86   1HA   GLY  11          1HA       GLY  11   8.670  11.151   0.641
   87   2HA   GLY  11          2HA       GLY  11   6.973  11.106   1.173
   88    H    MET  12           H        MET  12   7.865   7.975   1.281
   89    HA   MET  12           HA       MET  12   8.041   7.170   3.782
   90   1HB   MET  12          1HB       MET  12  10.047   6.297   1.668
   91   2HB   MET  12          2HB       MET  12   9.596   5.388   3.108
   92   1HG   MET  12          1HG       MET  12   7.199   5.399   2.237
   93   2HG   MET  12          2HG       MET  12   7.859   6.023   0.722
   94   1HE   MET  12          1HE       MET  12   9.523   3.118   3.120
   95   2HE   MET  12          2HE       MET  12   7.754   3.206   3.282
   96   3HE   MET  12          3HE       MET  12   8.506   1.814   2.469
   97    H    ARG  13           H        ARG  13   9.097   9.437   4.681
   98    HA   ARG  13           HA       ARG  13  11.935   9.407   5.012
   99   1HB   ARG  13          1HB       ARG  13  11.593  11.396   6.375
  100   2HB   ARG  13          2HB       ARG  13  10.764  11.472   4.832
  101   1HG   ARG  13          1HG       ARG  13   8.748  11.796   5.787
  102   2HG   ARG  13          2HG       ARG  13   8.941  10.422   6.868
  103   1HD   ARG  13          1HD       ARG  13   8.625  12.418   8.182
  104   2HD   ARG  13          2HD       ARG  13  10.264  11.789   8.431
  105    HE   ARG  13           HE       ARG  13  10.066  13.822   6.342
  106   1HH1  ARG  13          1HH1      ARG  13  10.475  13.451   9.840
  107   2HH1  ARG  13          2HH1      ARG  13  11.216  15.015  10.013
  108   1HH2  ARG  13          1HH2      ARG  13  11.075  15.796   6.630
  109   2HH2  ARG  13          2HH2      ARG  13  11.552  16.321   8.218
  110    H    CYS  14           H        CYS  14  11.781   7.093   5.867
  111    HA   CYS  14           HA       CYS  14  12.574   5.648   7.455
  112   1HB   CYS  14          1HB       CYS  14  14.059   7.602   7.988
  113   2HB   CYS  14          2HB       CYS  14  12.918   8.072   9.272
  114    HG   CYS  14           HG       CYS  14  15.041   6.825  10.293
  115    H    ALA  15           H        ALA  15  10.182   7.886   8.865
  116    HA   ALA  15           HA       ALA  15   9.284   6.275  10.982
  117   1HB   ALA  15          1HB       ALA  15   7.711   8.225   9.237
  118   2HB   ALA  15          2HB       ALA  15   7.238   7.681  10.862
  119   3HB   ALA  15          3HB       ALA  15   8.703   8.660  10.650
  120    H    ALA  16           H        ALA  16   7.616   4.829  11.262
  121    HA   ALA  16           HA       ALA  16   7.611   2.747   9.426
  122   1HB   ALA  16          1HB       ALA  16   5.910   3.121  11.928
  123   2HB   ALA  16          2HB       ALA  16   6.353   1.575  11.175
  124   3HB   ALA  16          3HB       ALA  16   7.611   2.586  11.896
  125    H    CYS  17           H        CYS  17   6.121   5.018   8.278
  126    HA   CYS  17           HA       CYS  17   3.413   4.872   7.813
  127   1HB   CYS  17          1HB       CYS  17   4.883   6.567   6.916
  128   2HB   CYS  17          2HB       CYS  17   5.809   5.379   5.983
  129    HG   CYS  17           HG       CYS  17   4.221   6.971   4.494
  130    H    ALA  18           H        ALA  18   5.820   2.841   6.053
  131    HA   ALA  18           HA       ALA  18   3.988   1.519   4.376
  132   1HB   ALA  18          1HB       ALA  18   6.387   1.499   3.987
  133   2HB   ALA  18          2HB       ALA  18   6.680   0.601   5.501
  134   3HB   ALA  18          3HB       ALA  18   5.821  -0.166   4.159
  135    H    SER  19           H        SER  19   5.297   0.237   7.495
  136    HA   SER  19           HA       SER  19   3.419  -1.966   7.433
  137   1HB   SER  19          1HB       SER  19   5.742  -1.859   8.564
  138   2HB   SER  19          2HB       SER  19   4.899  -1.079   9.917
  139    HG   SER  19           HG       SER  19   4.247  -3.592   8.691
  140    H    SER  20           H        SER  20   3.220   1.268   8.756
  141    HA   SER  20           HA       SER  20   0.784   0.802  10.259
  142   1HB   SER  20          1HB       SER  20   2.405   2.819  10.283
  143   2HB   SER  20          2HB       SER  20   1.497   3.400   8.875
  144    HG   SER  20           HG       SER  20   0.811   4.054  11.084
  145    H    ILE  21           H        ILE  21   1.426   1.296   6.815
  146    HA   ILE  21           HA       ILE  21  -1.412   1.389   6.035
  147    HB   ILE  21           HB       ILE  21   1.141   1.035   4.421
  148   1HG1  ILE  21          1HG1      ILE  21  -0.777   3.374   4.336
  149   2HG1  ILE  21          2HG1      ILE  21   0.478   3.335   5.549
  150   1HG2  ILE  21          1HG2      ILE  21  -1.743   1.271   3.463
  151   2HG2  ILE  21          2HG2      ILE  21  -0.317   1.409   2.418
  152   3HG2  ILE  21          3HG2      ILE  21  -0.648  -0.114   3.232
  153   1HD1  ILE  21          1HD1      ILE  21   1.210   4.634   3.631
  154   2HD1  ILE  21          2HD1      ILE  21   2.216   3.181   3.797
  155   3HD1  ILE  21          3HD1      ILE  21   0.958   3.259   2.544
  156    H    GLU  22           H        GLU  22   1.169  -1.177   5.885
  157    HA   GLU  22           HA       GLU  22  -0.334  -3.366   5.048
  158   1HB   GLU  22          1HB       GLU  22   1.588  -3.307   7.406
  159   2HB   GLU  22          2HB       GLU  22   0.990  -4.767   6.642
  160   1HG   GLU  22          1HG       GLU  22   2.119  -4.266   4.567
  161   2HG   GLU  22          2HG       GLU  22   2.686  -2.715   5.186
  162    H    ARG  23           H        ARG  23  -0.135  -2.207   8.444
  163    HA   ARG  23           HA       ARG  23  -1.960  -4.055   9.503
  164   1HB   ARG  23          1HB       ARG  23  -0.250  -2.485  10.641
  165   2HB   ARG  23          2HB       ARG  23  -1.490  -1.237  10.566
  166   1HG   ARG  23          1HG       ARG  23  -1.472  -2.290  12.754
  167   2HG   ARG  23          2HG       ARG  23  -2.994  -2.693  11.946
  168   1HD   ARG  23          1HD       ARG  23  -2.225  -4.932  11.433
  169   2HD   ARG  23          2HD       ARG  23  -0.556  -4.538  11.837
  170    HE   ARG  23           HE       ARG  23  -2.704  -5.305  13.645
  171   1HH1  ARG  23          1HH1      ARG  23   0.447  -3.726  13.509
  172   2HH1  ARG  23          2HH1      ARG  23   0.801  -4.047  15.178
  173   1HH2  ARG  23          1HH2      ARG  23  -2.158  -5.809  15.774
  174   2HH2  ARG  23          2HH2      ARG  23  -0.663  -5.244  16.444
  175    H    ALA  24           H        ALA  24  -2.722  -1.335   7.565
  176    HA   ALA  24           HA       ALA  24  -5.575  -1.350   8.417
  177   1HB   ALA  24          1HB       ALA  24  -4.070   0.497   6.499
  178   2HB   ALA  24          2HB       ALA  24  -5.771   0.653   6.964
  179   3HB   ALA  24          3HB       ALA  24  -4.492   0.875   8.183
  180    H    ILE  25           H        ILE  25  -3.423  -2.045   5.633
  181    HA   ILE  25           HA       ILE  25  -5.520  -2.760   3.758
  182    HB   ILE  25           HB       ILE  25  -2.552  -3.404   3.882
  183   1HG1  ILE  25          1HG1      ILE  25  -2.989  -1.012   3.540
  184   2HG1  ILE  25          2HG1      ILE  25  -2.291  -1.755   2.113
  185   1HG2  ILE  25          1HG2      ILE  25  -4.512  -3.962   1.608
  186   2HG2  ILE  25          2HG2      ILE  25  -2.734  -4.011   1.490
  187   3HG2  ILE  25          3HG2      ILE  25  -3.592  -5.140   2.530
  188   1HD1  ILE  25          1HD1      ILE  25  -4.654  -1.831   1.124
  189   2HD1  ILE  25          2HD1      ILE  25  -5.169  -0.850   2.514
  190   3HD1  ILE  25          3HD1      ILE  25  -3.954  -0.249   1.365
  191    H    ALA  26           H        ALA  26  -3.713  -4.598   6.176
  192    HA   ALA  26           HA       ALA  26  -4.531  -7.216   5.584
  193   1HB   ALA  26          1HB       ALA  26  -4.050  -5.870   8.282
  194   2HB   ALA  26          2HB       ALA  26  -4.016  -7.623   7.978
  195   3HB   ALA  26          3HB       ALA  26  -2.806  -6.573   7.220
  196    H    LYS  27           H        LYS  27  -6.741  -4.862   5.983
  197    HA   LYS  27           HA       LYS  27  -8.879  -6.640   7.108
  198   1HB   LYS  27          1HB       LYS  27  -8.714  -3.659   6.927
  199   2HB   LYS  27          2HB       LYS  27 -10.095  -4.587   7.536
  200   1HG   LYS  27          1HG       LYS  27  -8.754  -5.558   9.352
  201   2HG   LYS  27          2HG       LYS  27  -7.276  -4.787   8.728
  202   1HD   LYS  27          1HD       LYS  27  -8.499  -2.612   8.854
  203   2HD   LYS  27          2HD       LYS  27  -9.712  -3.426   9.872
  204   1HE   LYS  27          1HE       LYS  27  -7.941  -4.083  11.472
  205   2HE   LYS  27          2HE       LYS  27  -6.693  -3.414  10.404
  206   1HZ   LYS  27          1HZ       LYS  27  -8.806  -1.842  11.755
  207   2HZ   LYS  27          2HZ       LYS  27  -7.205  -1.861  12.157
  208   3HZ   LYS  27          3HZ       LYS  27  -7.683  -1.231  10.717
  209    H    VAL  28           H        VAL  28  -7.657  -5.394   4.142
  210    HA   VAL  28           HA       VAL  28 -10.183  -4.505   3.006
  211    HB   VAL  28           HB       VAL  28  -7.421  -4.885   1.791
  212   1HG1  VAL  28          1HG1      VAL  28  -9.814  -3.509   0.491
  213   2HG1  VAL  28          2HG1      VAL  28  -8.161  -3.560  -0.136
  214   3HG1  VAL  28          3HG1      VAL  28  -9.099  -5.053  -0.033
  215   1HG2  VAL  28          1HG2      VAL  28  -7.306  -2.435   1.891
  216   2HG2  VAL  28          2HG2      VAL  28  -8.965  -2.350   2.519
  217   3HG2  VAL  28          3HG2      VAL  28  -7.680  -3.056   3.506
  218    HA   PRO  29           HA       PRO  29 -11.605  -8.447   1.883
  219   1HB   PRO  29          1HB       PRO  29 -13.380  -7.906  -0.199
  220   2HB   PRO  29          2HB       PRO  29 -13.722  -7.662   1.542
  221   1HG   PRO  29          1HG       PRO  29 -12.728  -5.621  -0.471
  222   2HG   PRO  29          2HG       PRO  29 -14.056  -5.446   0.724
  223   1HD   PRO  29          1HD       PRO  29 -11.613  -4.465   1.252
  224   2HD   PRO  29          2HD       PRO  29 -12.514  -5.312   2.540
  225    H    GLY  30           H        GLY  30 -10.655 -10.037   0.761
  226   1HA   GLY  30          1HA       GLY  30  -9.529 -11.154  -0.934
  227   2HA   GLY  30          2HA       GLY  30  -9.785  -9.763  -2.010
  228    H    VAL  31           H        VAL  31  -8.231  -8.813   0.923
  229    HA   VAL  31           HA       VAL  31  -5.607  -8.322  -0.103
  230    HB   VAL  31           HB       VAL  31  -6.366  -7.347   1.938
  231   1HG1  VAL  31          1HG1      VAL  31  -5.886  -9.942   3.439
  232   2HG1  VAL  31          2HG1      VAL  31  -6.469  -8.394   4.064
  233   3HG1  VAL  31          3HG1      VAL  31  -7.503  -9.358   2.997
  234   1HG2  VAL  31          1HG2      VAL  31  -3.835  -9.005   2.291
  235   2HG2  VAL  31          2HG2      VAL  31  -3.970  -7.478   1.393
  236   3HG2  VAL  31          3HG2      VAL  31  -4.241  -7.504   3.145
  237    H    GLN  32           H        GLN  32  -4.586  -9.703  -1.187
  238    HA   GLN  32           HA       GLN  32  -4.547 -12.597  -0.684
  239   1HB   GLN  32          1HB       GLN  32  -3.949 -10.667  -2.864
  240   2HB   GLN  32          2HB       GLN  32  -2.776 -11.957  -2.799
  241   1HG   GLN  32          1HG       GLN  32  -5.788 -12.279  -3.098
  242   2HG   GLN  32          2HG       GLN  32  -4.579 -12.443  -4.358
  243   1HE2  GLN  32          1HE2      GLN  32  -2.925 -13.856  -1.770
  244   2HE2  GLN  32          2HE2      GLN  32  -3.376 -15.482  -2.203
  245    H    SER  33           H        SER  33  -2.333  -9.814  -0.609
  246    HA   SER  33           HA       SER  33  -0.839 -10.731   1.568
  247   1HB   SER  33          1HB       SER  33   0.238 -12.394   0.145
  248   2HB   SER  33          2HB       SER  33   0.466 -11.196  -1.141
  249    HG   SER  33           HG       SER  33   1.698 -11.095   1.436
  250    H    CYS  34           H        CYS  34   0.292  -8.945   2.356
  251    HA   CYS  34           HA       CYS  34   0.714  -6.620   0.534
  252   1HB   CYS  34          1HB       CYS  34   1.187  -6.641   3.530
  253   2HB   CYS  34          2HB       CYS  34   0.931  -5.258   2.475
  254    HG   CYS  34           HG       CYS  34  -1.613  -6.219   1.822
  255    H    GLN  35           H        GLN  35   2.712  -6.201  -0.098
  256    HA   GLN  35           HA       GLN  35   5.085  -7.249   1.351
  257   1HB   GLN  35          1HB       GLN  35   4.415  -7.477  -1.602
  258   2HB   GLN  35          2HB       GLN  35   6.056  -7.691  -0.998
  259   1HG   GLN  35          1HG       GLN  35   5.529  -9.753   0.032
  260   2HG   GLN  35          2HG       GLN  35   3.811  -9.410   0.080
  261   1HE2  GLN  35          1HE2      GLN  35   2.800 -10.952  -1.092
  262   2HE2  GLN  35          2HE2      GLN  35   3.266 -11.421  -2.723
  263    H    VAL  36           H        VAL  36   6.576  -5.521   1.569
  264    HA   VAL  36           HA       VAL  36   6.704  -3.331  -0.278
  265    HB   VAL  36           HB       VAL  36   4.744  -2.555   0.904
  266   1HG1  VAL  36          1HG1      VAL  36   4.913  -3.880   2.981
  267   2HG1  VAL  36          2HG1      VAL  36   6.262  -2.860   3.532
  268   3HG1  VAL  36          3HG1      VAL  36   4.641  -2.171   3.315
  269   1HG2  VAL  36          1HG2      VAL  36   6.411  -0.808   0.379
  270   2HG2  VAL  36          2HG2      VAL  36   5.475  -0.422   1.813
  271   3HG2  VAL  36          3HG2      VAL  36   7.141  -1.010   1.986
  272    H    ASN  37           H        ASN  37   8.685  -2.347  -0.145
  273    HA   ASN  37           HA       ASN  37  10.512  -3.406   1.965
  274   1HB   ASN  37          1HB       ASN  37  10.506  -4.248  -0.684
  275   2HB   ASN  37          2HB       ASN  37  11.856  -3.109  -0.606
  276   1HD2  ASN  37          1HD2      ASN  37  11.235  -6.298  -0.382
  277   2HD2  ASN  37          2HD2      ASN  37  12.465  -6.735   0.792
  278    H    PHE  38           H        PHE  38  11.105  -1.901   3.209
  279    HA   PHE  38           HA       PHE  38  11.096   0.898   2.520
  280   1HB   PHE  38          1HB       PHE  38  10.453  -0.450   4.719
  281   2HB   PHE  38          2HB       PHE  38  12.117  -0.159   5.157
  282    HD1  PHE  38           HD1      PHE  38   9.045   0.906   5.911
  283    HD2  PHE  38           HD2      PHE  38  12.672   2.625   4.324
  284    HE1  PHE  38           HE1      PHE  38   8.335   3.156   6.685
  285    HE2  PHE  38           HE2      PHE  38  11.946   4.851   5.071
  286    HZ   PHE  38           HZ       PHE  38   9.772   5.132   6.257
  287    H    ALA  39           H        ALA  39  12.747   0.256   0.818
  288    HA   ALA  39           HA       ALA  39  15.348   1.430   1.407
  289   1HB   ALA  39          1HB       ALA  39  15.154  -1.539   0.672
  290   2HB   ALA  39          2HB       ALA  39  16.648  -0.580   0.715
  291   3HB   ALA  39          3HB       ALA  39  15.748  -0.875   2.209
  292    H    LEU  40           H        LEU  40  13.178  -0.235  -0.934
  293    HA   LEU  40           HA       LEU  40  14.276   1.368  -3.159
  294   1HB   LEU  40          1HB       LEU  40  15.038  -0.855  -3.288
  295   2HB   LEU  40          2HB       LEU  40  13.561  -1.528  -2.613
  296    HG   LEU  40           HG       LEU  40  12.368  -1.161  -4.572
  297   1HD1  LEU  40          1HD1      LEU  40  13.463  -0.527  -6.745
  298   2HD1  LEU  40          2HD1      LEU  40  13.660   0.803  -5.597
  299   3HD1  LEU  40          3HD1      LEU  40  15.010  -0.292  -5.902
  300   1HD2  LEU  40          1HD2      LEU  40  14.993  -2.627  -5.125
  301   2HD2  LEU  40          2HD2      LEU  40  13.621  -3.285  -4.218
  302   3HD2  LEU  40          3HD2      LEU  40  13.444  -2.926  -5.944
  303    H    GLU  41           H        GLU  41  11.943   1.700  -1.126
  304    HA   GLU  41           HA       GLU  41   9.965   2.760  -1.039
  305   1HB   GLU  41          1HB       GLU  41  10.526   3.397  -3.951
  306   2HB   GLU  41          2HB       GLU  41   9.315   4.191  -2.958
  307   1HG   GLU  41          1HG       GLU  41  10.995   5.099  -1.474
  308   2HG   GLU  41          2HG       GLU  41  12.289   4.262  -2.352
  309    H    GLN  42           H        GLN  42  10.041  -0.007  -3.034
  310    HA   GLN  42           HA       GLN  42   7.431   0.440  -4.214
  311   1HB   GLN  42          1HB       GLN  42   7.613  -1.406  -5.482
  312   2HB   GLN  42          2HB       GLN  42   9.280  -0.892  -5.352
  313   1HG   GLN  42          1HG       GLN  42   7.979  -3.178  -3.724
  314   2HG   GLN  42          2HG       GLN  42   8.896  -3.387  -5.208
  315   1HE2  GLN  42          1HE2      GLN  42   9.336  -1.714  -2.052
  316   2HE2  GLN  42          2HE2      GLN  42  11.028  -2.246  -1.906
  317    H    ALA  43           H        ALA  43   5.508  -0.414  -3.807
  318    HA   ALA  43           HA       ALA  43   5.239  -2.495  -1.693
  319   1HB   ALA  43          1HB       ALA  43   3.275  -0.265  -2.403
  320   2HB   ALA  43          2HB       ALA  43   2.951  -1.606  -1.283
  321   3HB   ALA  43          3HB       ALA  43   4.192  -0.402  -0.887
  322    H    VAL  44           H        VAL  44   3.976  -4.219  -2.264
  323    HA   VAL  44           HA       VAL  44   2.518  -4.104  -4.799
  324    HB   VAL  44           HB       VAL  44   4.495  -5.113  -5.618
  325   1HG1  VAL  44          1HG1      VAL  44   5.395  -6.086  -3.450
  326   2HG1  VAL  44          2HG1      VAL  44   4.277  -7.454  -3.726
  327   3HG1  VAL  44          3HG1      VAL  44   5.550  -7.098  -4.893
  328   1HG2  VAL  44          1HG2      VAL  44   2.308  -5.990  -6.442
  329   2HG2  VAL  44          2HG2      VAL  44   3.630  -7.158  -6.586
  330   3HG2  VAL  44          3HG2      VAL  44   2.434  -7.332  -5.289
  331    H    VAL  45           H        VAL  45   0.543  -4.820  -4.606
  332    HA   VAL  45           HA       VAL  45  -0.114  -6.671  -2.363
  333    HB   VAL  45           HB       VAL  45  -1.586  -4.049  -2.665
  334   1HG1  VAL  45          1HG1      VAL  45  -1.617  -6.023  -0.338
  335   2HG1  VAL  45          2HG1      VAL  45  -2.670  -4.616  -0.601
  336   3HG1  VAL  45          3HG1      VAL  45  -2.814  -6.018  -1.645
  337   1HG2  VAL  45          1HG2      VAL  45   0.529  -4.705  -0.585
  338   2HG2  VAL  45          2HG2      VAL  45   0.595  -3.423  -1.813
  339   3HG2  VAL  45          3HG2      VAL  45  -0.590  -3.329  -0.510
  340    H    SER  46           H        SER  46  -1.710  -7.981  -2.876
  341    HA   SER  46           HA       SER  46  -3.652  -7.197  -4.996
  342   1HB   SER  46          1HB       SER  46  -2.851  -9.031  -6.014
  343   2HB   SER  46          2HB       SER  46  -2.426  -9.911  -4.606
  344    HG   SER  46           HG       SER  46  -4.886  -9.419  -5.913
  345    H    TYR  47           H        TYR  47  -5.720  -7.135  -4.344
  346    HA   TYR  47           HA       TYR  47  -6.576  -7.559  -1.648
  347   1HB   TYR  47          1HB       TYR  47  -6.520  -5.242  -0.891
  348   2HB   TYR  47          2HB       TYR  47  -5.003  -6.053  -0.942
  349    HD1  TYR  47           HD1      TYR  47  -5.454  -3.154  -0.536
  350    HD2  TYR  47           HD2      TYR  47  -4.532  -5.327  -4.133
  351    HE1  TYR  47           HE1      TYR  47  -4.079  -1.252  -1.359
  352    HE2  TYR  47           HE2      TYR  47  -3.258  -3.430  -4.977
  353    HH   TYR  47           HH       TYR  47  -2.887  -0.391  -3.183
  354    H    HIS  48           H        HIS  48  -7.826  -8.301  -3.812
  355    HA   HIS  48           HA       HIS  48 -10.283  -6.684  -3.791
  356   1HB   HIS  48          1HB       HIS  48  -9.311  -7.298  -6.556
  357   2HB   HIS  48          2HB       HIS  48 -10.341  -6.005  -5.989
  358    HD2  HIS  48           HD2      HIS  48  -6.633  -7.065  -6.086
  359    HE1  HIS  48           HE1      HIS  48  -6.690  -2.796  -5.906
  360    HE2  HIS  48           HE2      HIS  48  -5.199  -4.840  -6.261
  361    H    GLY  49           H        GLY  49 -12.084  -7.825  -4.167
  362   1HA   GLY  49          1HA       GLY  49 -12.008 -10.664  -5.120
  363   2HA   GLY  49          2HA       GLY  49 -13.356  -9.864  -4.283
  364    H    GLU  50           H        GLU  50 -14.965  -9.616  -5.566
  365    HA   GLU  50           HA       GLU  50 -15.018  -9.865  -8.329
  366   1HB   GLU  50          1HB       GLU  50 -17.150  -8.432  -6.702
  367   2HB   GLU  50          2HB       GLU  50 -17.344  -9.338  -8.198
  368   1HG   GLU  50          1HG       GLU  50 -18.181 -10.844  -6.686
  369   2HG   GLU  50          2HG       GLU  50 -16.511 -11.400  -6.787
  370    H    THR  51           H        THR  51 -14.094  -6.971  -6.746
  371    HA   THR  51           HA       THR  51 -13.910  -5.484  -9.224
  372    HB   THR  51           HB       THR  51 -16.019  -4.729  -7.184
  373    HG1  THR  51           HG1      THR  51 -16.201  -5.932  -9.319
  374   1HG2  THR  51          1HG2      THR  51 -16.276  -2.563  -8.393
  375   2HG2  THR  51          2HG2      THR  51 -14.772  -2.636  -7.464
  376   3HG2  THR  51          3HG2      THR  51 -14.740  -2.862  -9.233
  377    H    THR  52           H        THR  52 -12.427  -3.888  -9.103
  378    HA   THR  52           HA       THR  52 -10.718  -3.721  -6.713
  379    HB   THR  52           HB       THR  52 -10.463  -2.893  -9.611
  380    HG1  THR  52           HG1      THR  52  -8.924  -4.440  -7.805
  381   1HG2  THR  52          1HG2      THR  52  -8.683  -2.036  -7.307
  382   2HG2  THR  52          2HG2      THR  52  -8.099  -2.176  -8.985
  383   3HG2  THR  52          3HG2      THR  52  -9.388  -1.031  -8.585
  384    HA   PRO  53           HA       PRO  53 -12.663   0.318  -5.897
  385   1HB   PRO  53          1HB       PRO  53 -12.018   0.605  -3.286
  386   2HB   PRO  53          2HB       PRO  53 -13.254  -0.580  -3.810
  387   1HG   PRO  53          1HG       PRO  53 -10.332  -1.102  -3.161
  388   2HG   PRO  53          2HG       PRO  53 -11.771  -2.011  -2.606
  389   1HD   PRO  53          1HD       PRO  53 -10.226  -2.750  -4.775
  390   2HD   PRO  53          2HD       PRO  53 -11.970  -3.125  -4.645
  391    H    GLN  54           H        GLN  54 -11.738   2.382  -6.018
  392    HA   GLN  54           HA       GLN  54  -8.972   2.730  -6.563
  393   1HB   GLN  54          1HB       GLN  54 -10.889   4.174  -7.276
  394   2HB   GLN  54          2HB       GLN  54 -10.980   4.834  -5.637
  395   1HG   GLN  54          1HG       GLN  54  -8.811   5.880  -5.862
  396   2HG   GLN  54          2HG       GLN  54  -8.444   4.964  -7.330
  397   1HE2  GLN  54          1HE2      GLN  54  -9.765   7.947  -6.178
  398   2HE2  GLN  54          2HE2      GLN  54 -10.476   8.413  -7.729
  399    H    ILE  55           H        ILE  55 -10.532   2.429  -3.537
  400    HA   ILE  55           HA       ILE  55  -8.759   3.689  -1.720
  401    HB   ILE  55           HB       ILE  55 -10.453   1.182  -1.439
  402   1HG1  ILE  55          1HG1      ILE  55 -10.995   4.070  -0.581
  403   2HG1  ILE  55          2HG1      ILE  55 -11.670   3.320  -2.025
  404   1HG2  ILE  55          1HG2      ILE  55  -8.783   1.148   0.343
  405   2HG2  ILE  55          2HG2      ILE  55  -9.128   2.848   0.744
  406   3HG2  ILE  55          3HG2      ILE  55 -10.331   1.572   1.028
  407   1HD1  ILE  55          1HD1      ILE  55 -13.366   3.281  -0.376
  408   2HD1  ILE  55          2HD1      ILE  55 -12.806   1.610  -0.584
  409   3HD1  ILE  55          3HD1      ILE  55 -12.305   2.562   0.838
  410    H    LEU  56           H        LEU  56  -8.130   1.011  -3.787
  411    HA   LEU  56           HA       LEU  56  -5.956  -0.248  -2.510
  412   1HB   LEU  56          1HB       LEU  56  -5.445  -1.078  -4.635
  413   2HB   LEU  56          2HB       LEU  56  -7.133  -0.718  -4.764
  414    HG   LEU  56           HG       LEU  56  -6.246   1.591  -5.808
  415   1HD1  LEU  56          1HD1      LEU  56  -4.178   1.184  -7.185
  416   2HD1  LEU  56          2HD1      LEU  56  -3.796   1.179  -5.468
  417   3HD1  LEU  56          3HD1      LEU  56  -3.933  -0.352  -6.334
  418   1HD2  LEU  56          1HD2      LEU  56  -6.291   0.567  -8.051
  419   2HD2  LEU  56          2HD2      LEU  56  -6.207  -1.048  -7.315
  420   3HD2  LEU  56          3HD2      LEU  56  -7.611   0.012  -7.027
  421    H    THR  57           H        THR  57  -6.174   2.896  -3.937
  422    HA   THR  57           HA       THR  57  -3.314   3.570  -3.453
  423    HB   THR  57           HB       THR  57  -3.805   5.739  -4.479
  424    HG1  THR  57           HG1      THR  57  -6.439   4.697  -4.748
  425   1HG2  THR  57          1HG2      THR  57  -3.992   5.014  -6.757
  426   2HG2  THR  57          2HG2      THR  57  -3.047   3.804  -5.866
  427   3HG2  THR  57          3HG2      THR  57  -4.750   3.485  -6.279
  428    H    ASP  58           H        ASP  58  -6.461   4.956  -2.573
  429    HA   ASP  58           HA       ASP  58  -5.863   6.993  -0.923
  430   1HB   ASP  58          1HB       ASP  58  -8.115   5.985  -1.721
  431   2HB   ASP  58          2HB       ASP  58  -8.041   4.987  -0.268
  432    H    ALA  59           H        ALA  59  -5.623   3.599   0.127
  433    HA   ALA  59           HA       ALA  59  -5.277   4.120   2.889
  434   1HB   ALA  59          1HB       ALA  59  -5.642   1.878   1.889
  435   2HB   ALA  59          2HB       ALA  59  -4.044   1.972   1.111
  436   3HB   ALA  59          3HB       ALA  59  -4.169   1.890   2.886
  437    H    VAL  60           H        VAL  60  -2.966   4.960   0.350
  438    HA   VAL  60           HA       VAL  60  -0.696   5.115   2.250
  439    HB   VAL  60           HB       VAL  60   0.452   6.372   0.571
  440   1HG1  VAL  60          1HG1      VAL  60  -1.179   4.168  -0.817
  441   2HG1  VAL  60          2HG1      VAL  60   0.434   4.712  -1.256
  442   3HG1  VAL  60          3HG1      VAL  60   0.168   3.853   0.277
  443   1HG2  VAL  60          1HG2      VAL  60  -2.227   6.679  -0.800
  444   2HG2  VAL  60          2HG2      VAL  60  -1.090   7.894  -0.272
  445   3HG2  VAL  60          3HG2      VAL  60  -0.695   6.872  -1.661
  446    H    GLU  61           H        GLU  61  -3.155   7.353   1.181
  447    HA   GLU  61           HA       GLU  61  -2.377   9.596   2.739
  448   1HB   GLU  61          1HB       GLU  61  -4.674   8.808   1.105
  449   2HB   GLU  61          2HB       GLU  61  -5.203   9.557   2.596
  450   1HG   GLU  61          1HG       GLU  61  -5.027  11.350   1.154
  451   2HG   GLU  61          2HG       GLU  61  -3.524  11.458   2.066
  452    H    ARG  62           H        ARG  62  -3.881   6.521   3.785
  453    HA   ARG  62           HA       ARG  62  -4.878   7.284   6.291
  454   1HB   ARG  62          1HB       ARG  62  -4.886   5.143   6.958
  455   2HB   ARG  62          2HB       ARG  62  -4.725   4.909   5.243
  456   1HG   ARG  62          1HG       ARG  62  -3.309   3.327   6.204
  457   2HG   ARG  62          2HG       ARG  62  -2.208   4.576   5.646
  458   1HD   ARG  62          1HD       ARG  62  -1.763   3.361   7.840
  459   2HD   ARG  62          2HD       ARG  62  -1.368   5.032   7.660
  460    HE   ARG  62           HE       ARG  62  -3.412   5.634   8.847
  461   1HH1  ARG  62          1HH1      ARG  62  -2.080   2.408   9.555
  462   2HH1  ARG  62          2HH1      ARG  62  -2.527   2.527  11.224
  463   1HH2  ARG  62          1HH2      ARG  62  -3.981   5.666  10.939
  464   2HH2  ARG  62          2HH2      ARG  62  -3.696   4.308  11.993
  465    H    ALA  63           H        ALA  63  -1.546   7.180   5.349
  466    HA   ALA  63           HA       ALA  63  -0.589   7.610   8.148
  467   1HB   ALA  63          1HB       ALA  63   1.634   7.225   7.135
  468   2HB   ALA  63          2HB       ALA  63   0.536   5.893   6.737
  469   3HB   ALA  63          3HB       ALA  63   0.896   7.131   5.522
  470    H    GLY  64           H        GLY  64  -1.455   9.531   5.412
  471   1HA   GLY  64          1HA       GLY  64  -1.352  11.848   5.208
  472   2HA   GLY  64          2HA       GLY  64  -0.038  11.931   6.418
  473    H    TYR  65           H        TYR  65   0.215   9.482   3.908
  474    HA   TYR  65           HA       TYR  65   2.459  11.066   2.770
  475   1HB   TYR  65          1HB       TYR  65   2.107   8.086   3.164
  476   2HB   TYR  65          2HB       TYR  65   3.356   8.756   2.133
  477    HD1  TYR  65           HD1      TYR  65   2.083   9.209   5.645
  478    HD2  TYR  65           HD2      TYR  65   5.488   9.138   3.030
  479    HE1  TYR  65           HE1      TYR  65   3.535   9.533   7.590
  480    HE2  TYR  65           HE2      TYR  65   6.983   9.426   4.999
  481    HH   TYR  65           HH       TYR  65   5.676   9.798   8.311
  482    H    HIS  66           H        HIS  66   2.695   9.168   0.475
  483    HA   HIS  66           HA       HIS  66   0.177   9.329  -0.920
  484   1HB   HIS  66          1HB       HIS  66   1.521  11.634  -1.195
  485   2HB   HIS  66          2HB       HIS  66   2.290  10.738  -2.505
  486    HD1  HIS  66           HD1      HIS  66  -1.438  11.060  -1.301
  487    HD2  HIS  66           HD2      HIS  66   1.024  11.120  -4.753
  488    HE1  HIS  66           HE1      HIS  66  -2.971  11.558  -3.216
  489    HE2  HIS  66           HE2      HIS  66  -1.498  11.577  -5.373
  490    H    ALA  67           H        ALA  67   0.658   8.554  -3.385
  491    HA   ALA  67           HA       ALA  67   2.654   6.317  -3.239
  492   1HB   ALA  67          1HB       ALA  67   0.060   6.429  -4.856
  493   2HB   ALA  67          2HB       ALA  67   1.214   5.081  -4.774
  494   3HB   ALA  67          3HB       ALA  67   0.278   5.524  -3.346
  495    H    ARG  68           H        ARG  68   3.559   5.732  -5.280
  496    HA   ARG  68           HA       ARG  68   4.204   8.006  -7.108
  497   1HB   ARG  68          1HB       ARG  68   5.795   7.961  -5.298
  498   2HB   ARG  68          2HB       ARG  68   5.850   6.231  -5.327
  499   1HG   ARG  68          1HG       ARG  68   7.826   6.616  -6.097
  500   2HG   ARG  68          2HG       ARG  68   7.023   6.393  -7.611
  501   1HD   ARG  68          1HD       ARG  68   7.299   8.684  -8.193
  502   2HD   ARG  68          2HD       ARG  68   7.284   9.224  -6.521
  503    HE   ARG  68           HE       ARG  68   9.597   8.326  -8.036
  504   1HH1  ARG  68          1HH1      ARG  68   8.521   8.997  -4.701
  505   2HH1  ARG  68          2HH1      ARG  68   9.929   8.140  -4.040
  506   1HH2  ARG  68          1HH2      ARG  68  11.474   7.488  -6.988
  507   2HH2  ARG  68          2HH2      ARG  68  11.454   7.384  -5.255
  508    H    VAL  69           H        VAL  69   4.490   7.341  -9.191
  509    HA   VAL  69           HA       VAL  69   3.904   4.577  -9.915
  510    HB   VAL  69           HB       VAL  69   4.096   5.603 -12.239
  511   1HG1  VAL  69          1HG1      VAL  69   1.964   6.708 -10.368
  512   2HG1  VAL  69          2HG1      VAL  69   1.822   6.562 -12.134
  513   3HG1  VAL  69          3HG1      VAL  69   1.942   5.104 -11.135
  514   1HG2  VAL  69          1HG2      VAL  69   5.358   7.665 -11.713
  515   2HG2  VAL  69          2HG2      VAL  69   3.830   7.999 -12.535
  516   3HG2  VAL  69          3HG2      VAL  69   3.964   8.269 -10.790
  517    H    LEU  70           H        LEU  70   5.182   3.125 -10.633
  518    HA   LEU  70           HA       LEU  70   8.085   3.720 -10.913
  519   1HB   LEU  70          1HB       LEU  70   8.531   1.517 -10.340
  520   2HB   LEU  70          2HB       LEU  70   7.401   2.142  -9.179
  521    HG   LEU  70           HG       LEU  70   5.568   0.817 -10.338
  522   1HD1  LEU  70          1HD1      LEU  70   6.483   0.253 -12.523
  523   2HD1  LEU  70          2HD1      LEU  70   7.955  -0.427 -11.790
  524   3HD1  LEU  70          3HD1      LEU  70   6.385  -1.232 -11.600
  525   1HD2  LEU  70          1HD2      LEU  70   6.238  -1.250  -9.197
  526   2HD2  LEU  70          2HD2      LEU  70   7.945  -0.760  -9.234
  527   3HD2  LEU  70          3HD2      LEU  70   6.784   0.130  -8.236
  528    H    LYS  71           H        LYS  71   9.238   2.637 -12.689
  529    HA   LYS  71           HA       LYS  71   7.762   1.561 -14.948
  530   1HB   LYS  71          1HB       LYS  71   7.204   4.007 -15.091
  531   2HB   LYS  71          2HB       LYS  71   8.925   4.374 -15.213
  532   1HG   LYS  71          1HG       LYS  71   9.038   3.122 -17.353
  533   2HG   LYS  71          2HG       LYS  71   7.329   2.665 -17.181
  534   1HD   LYS  71          1HD       LYS  71   6.691   5.070 -17.214
  535   2HD   LYS  71          2HD       LYS  71   8.402   5.515 -17.403
  536   1HE   LYS  71          1HE       LYS  71   8.491   4.232 -19.537
  537   2HE   LYS  71          2HE       LYS  71   6.786   3.792 -19.343
  538   1HZ   LYS  71          1HZ       LYS  71   7.054   5.686 -20.820
  539   2HZ   LYS  71          2HZ       LYS  71   6.220   6.144 -19.479
  540   3HZ   LYS  71          3HZ       LYS  71   7.801   6.562 -19.649
  541    H    GLN  72           H        GLN  72   9.150   0.052 -15.801
  542    HA   GLN  72           HA       GLN  72  11.774   0.655 -16.695
  543   1HB   GLN  72          1HB       GLN  72  11.563  -0.161 -13.892
  544   2HB   GLN  72          2HB       GLN  72  12.343  -1.441 -14.789
  545   1HG   GLN  72          1HG       GLN  72  13.264   1.472 -14.780
  546   2HG   GLN  72          2HG       GLN  72  13.942   0.174 -13.806
  547   1HE2  GLN  72          1HE2      GLN  72  15.932  -0.534 -14.718
  548   2HE2  GLN  72          2HE2      GLN  72  16.104  -0.738 -16.464
  549    H    GLN  73           H        GLN  73  12.889  -1.486 -17.434
  550    HA   GLN  73           HA       GLN  73  11.411  -3.922 -17.475
  551   1HB   GLN  73          1HB       GLN  73  10.767  -2.109 -19.614
  552   2HB   GLN  73          2HB       GLN  73  11.769  -3.353 -20.318
  553   1HG   GLN  73          1HG       GLN  73   9.295  -3.961 -18.626
  554   2HG   GLN  73          2HG       GLN  73   9.251  -3.706 -20.363
  555   1HE2  GLN  73          1HE2      GLN  73   8.889  -5.748 -21.318
  556   2HE2  GLN  73          2HE2      GLN  73   9.845  -7.161 -20.896
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1  -7.203 -13.125 -10.362
    2   2H    MET   1          2H        MET   1  -7.586 -14.053  -9.098
    3   3H    MET   1          3H        MET   1  -7.959 -14.574 -10.625
    4    HA   MET   1           HA       MET   1  -6.054 -15.763  -9.736
    5   1HB   MET   1          1HB       MET   1  -6.294 -14.963 -12.249
    6   2HB   MET   1          2HB       MET   1  -4.940 -13.904 -11.843
    7   1HG   MET   1          1HG       MET   1  -3.821 -16.101 -10.932
    8   2HG   MET   1          2HG       MET   1  -5.089 -16.948 -11.804
    9   1HE   MET   1          1HE       MET   1  -4.216 -16.269 -15.536
   10   2HE   MET   1          2HE       MET   1  -5.176 -17.235 -14.396
   11   3HE   MET   1          3HE       MET   1  -5.477 -15.486 -14.563
   12    H    ALA   2           H        ALA   2  -3.296 -14.567 -10.158
   13    HA   ALA   2           HA       ALA   2  -3.017 -12.961  -7.703
   14   1HB   ALA   2          1HB       ALA   2  -1.284 -14.625  -8.299
   15   2HB   ALA   2          2HB       ALA   2  -1.032 -13.819  -9.869
   16   3HB   ALA   2          3HB       ALA   2  -0.628 -12.983  -8.358
   17    H    GLN   3           H        GLN   3  -3.301 -10.772  -7.759
   18    HA   GLN   3           HA       GLN   3  -3.127  -9.280 -10.328
   19   1HB   GLN   3          1HB       GLN   3  -5.451  -8.450  -9.979
   20   2HB   GLN   3          2HB       GLN   3  -5.271 -10.126 -10.455
   21   1HG   GLN   3          1HG       GLN   3  -5.546 -10.588  -7.814
   22   2HG   GLN   3          2HG       GLN   3  -6.278  -8.993  -7.850
   23   1HE2  GLN   3          1HE2      GLN   3  -8.529  -9.523  -7.610
   24   2HE2  GLN   3          2HE2      GLN   3  -9.339 -10.557  -8.758
   25    H    THR   4           H        THR   4  -1.215  -8.604  -9.165
   26    HA   THR   4           HA       THR   4  -1.707  -6.891  -6.802
   27    HB   THR   4           HB       THR   4  -0.265  -8.727  -6.292
   28    HG1  THR   4           HG1      THR   4   1.665  -7.443  -5.831
   29   1HG2  THR   4          1HG2      THR   4   1.922  -9.084  -7.344
   30   2HG2  THR   4          2HG2      THR   4   0.653  -9.273  -8.556
   31   3HG2  THR   4          3HG2      THR   4   1.619  -7.783  -8.511
   32    H    ILE   5           H        ILE   5  -1.237  -4.885  -6.697
   33    HA   ILE   5           HA       ILE   5  -0.326  -3.390  -9.090
   34    HB   ILE   5           HB       ILE   5  -0.965  -2.267  -6.339
   35   1HG1  ILE   5          1HG1      ILE   5  -3.014  -3.304  -7.070
   36   2HG1  ILE   5          2HG1      ILE   5  -3.155  -1.563  -7.189
   37   1HG2  ILE   5          1HG2      ILE   5   0.419  -0.845  -7.792
   38   2HG2  ILE   5          2HG2      ILE   5  -0.752  -0.984  -9.106
   39   3HG2  ILE   5          3HG2      ILE   5  -1.194  -0.146  -7.602
   40   1HD1  ILE   5          1HD1      ILE   5  -2.879  -1.695  -9.654
   41   2HD1  ILE   5          2HD1      ILE   5  -2.693  -3.464  -9.538
   42   3HD1  ILE   5          3HD1      ILE   5  -4.223  -2.696  -9.089
   43    H    ASN   6           H        ASN   6   1.696  -3.219  -9.410
   44    HA   ASN   6           HA       ASN   6   3.717  -3.473  -7.236
   45   1HB   ASN   6          1HB       ASN   6   5.206  -4.338  -9.029
   46   2HB   ASN   6          2HB       ASN   6   3.815  -5.364  -8.704
   47   1HD2  ASN   6          1HD2      ASN   6   1.916  -5.222 -10.304
   48   2HD2  ASN   6          2HD2      ASN   6   2.322  -4.765 -11.949
   49    H    LEU   7           H        LEU   7   4.054  -1.412  -6.663
   50    HA   LEU   7           HA       LEU   7   4.833   0.591  -8.690
   51   1HB   LEU   7          1HB       LEU   7   3.166   2.075  -8.323
   52   2HB   LEU   7          2HB       LEU   7   2.283   0.584  -8.252
   53    HG   LEU   7           HG       LEU   7   3.091   2.316  -5.850
   54   1HD1  LEU   7          1HD1      LEU   7   1.285   3.213  -7.244
   55   2HD1  LEU   7          2HD1      LEU   7   0.389   1.687  -7.101
   56   3HD1  LEU   7          3HD1      LEU   7   0.683   2.679  -5.659
   57   1HD2  LEU   7          1HD2      LEU   7   1.724   0.781  -4.488
   58   2HD2  LEU   7          2HD2      LEU   7   1.487  -0.291  -5.882
   59   3HD2  LEU   7          3HD2      LEU   7   3.105  -0.072  -5.196
   60    H    GLN   8           H        GLN   8   5.161   2.811  -7.232
   61    HA   GLN   8           HA       GLN   8   6.802   2.091  -4.876
   62   1HB   GLN   8          1HB       GLN   8   7.408   3.893  -7.226
   63   2HB   GLN   8          2HB       GLN   8   8.083   4.260  -5.636
   64   1HG   GLN   8          1HG       GLN   8   9.265   2.186  -5.525
   65   2HG   GLN   8          2HG       GLN   8   8.359   1.490  -6.855
   66   1HE2  GLN   8          1HE2      GLN   8  10.274   4.614  -6.441
   67   2HE2  GLN   8          2HE2      GLN   8  11.207   4.252  -7.875
   68    H    LEU   9           H        LEU   9   7.119   3.817  -3.412
   69    HA   LEU   9           HA       LEU   9   4.495   5.141  -2.961
   70   1HB   LEU   9          1HB       LEU   9   5.975   3.102  -1.412
   71   2HB   LEU   9          2HB       LEU   9   5.588   4.523  -0.442
   72    HG   LEU   9           HG       LEU   9   3.226   4.279  -0.896
   73   1HD1  LEU   9          1HD1      LEU   9   4.116   2.013  -2.715
   74   2HD1  LEU   9          2HD1      LEU   9   2.473   2.081  -2.042
   75   3HD1  LEU   9          3HD1      LEU   9   3.045   3.376  -3.096
   76   1HD2  LEU   9          1HD2      LEU   9   4.597   1.714   0.006
   77   2HD2  LEU   9          2HD2      LEU   9   4.200   3.116   1.017
   78   3HD2  LEU   9          3HD2      LEU   9   2.899   2.132   0.323
   79    H    GLU  10           H        GLU  10   4.548   7.201  -2.188
   80    HA   GLU  10           HA       GLU  10   7.114   8.614  -2.597
   81   1HB   GLU  10          1HB       GLU  10   4.922   8.860  -3.961
   82   2HB   GLU  10          2HB       GLU  10   4.303   9.708  -2.561
   83   1HG   GLU  10          1HG       GLU  10   5.743  11.547  -2.845
   84   2HG   GLU  10          2HG       GLU  10   6.882  10.618  -3.837
   85    H    GLY  11           H        GLY  11   8.040   9.906  -1.076
   86   1HA   GLY  11          1HA       GLY  11   8.348  11.091   0.916
   87   2HA   GLY  11          2HA       GLY  11   6.615  10.903   1.282
   88    H    MET  12           H        MET  12   7.427   7.841   0.657
   89    HA   MET  12           HA       MET  12   7.132   7.060   3.319
   90   1HB   MET  12          1HB       MET  12   7.198   4.827   2.565
   91   2HB   MET  12          2HB       MET  12   6.408   5.805   1.345
   92   1HG   MET  12          1HG       MET  12   7.744   4.732  -0.135
   93   2HG   MET  12          2HG       MET  12   9.000   5.821   0.395
   94   1HE   MET  12          1HE       MET  12   8.404   1.347   1.270
   95   2HE   MET  12          2HE       MET  12   7.110   2.536   1.509
   96   3HE   MET  12          3HE       MET  12   7.805   2.271  -0.103
   97    H    ARG  13           H        ARG  13   8.472   7.481   4.905
   98    HA   ARG  13           HA       ARG  13  11.262   6.442   4.770
   99   1HB   ARG  13          1HB       ARG  13  10.510   9.239   5.716
  100   2HB   ARG  13          2HB       ARG  13  12.076   8.491   5.957
  101   1HG   ARG  13          1HG       ARG  13  10.870   9.403   3.333
  102   2HG   ARG  13          2HG       ARG  13  12.207  10.101   4.218
  103   1HD   ARG  13          1HD       ARG  13  12.180   7.861   2.297
  104   2HD   ARG  13          2HD       ARG  13  13.382   9.083   2.592
  105    HE   ARG  13           HE       ARG  13  14.197   7.792   4.522
  106   1HH1  ARG  13          1HH1      ARG  13  12.020   5.950   2.381
  107   2HH1  ARG  13          2HH1      ARG  13  12.867   4.462   2.715
  108   1HH2  ARG  13          1HH2      ARG  13  15.046   5.708   5.024
  109   2HH2  ARG  13          2HH2      ARG  13  14.389   4.323   4.178
  110    H    CYS  14           H        CYS  14   8.790   7.867   6.973
  111    HA   CYS  14           HA       CYS  14  10.026   6.678   9.302
  112   1HB   CYS  14          1HB       CYS  14   7.288   7.978   8.922
  113   2HB   CYS  14          2HB       CYS  14   8.006   7.554  10.472
  114    HG   CYS  14           HG       CYS  14   9.981   9.160  10.453
  115    H    ALA  15           H        ALA  15   9.907   4.705   9.951
  116    HA   ALA  15           HA       ALA  15   7.986   2.688   9.125
  117   1HB   ALA  15          1HB       ALA  15   9.866   2.831  11.531
  118   2HB   ALA  15          2HB       ALA  15   9.014   1.384  10.957
  119   3HB   ALA  15          3HB       ALA  15  10.263   2.125   9.945
  120    H    ALA  16           H        ALA  16   6.623   1.632  10.896
  121    HA   ALA  16           HA       ALA  16   4.741   1.665  12.132
  122   1HB   ALA  16          1HB       ALA  16   6.028   2.883  13.891
  123   2HB   ALA  16          2HB       ALA  16   5.471   4.423  13.201
  124   3HB   ALA  16          3HB       ALA  16   4.299   3.277  13.852
  125    H    CYS  17           H        CYS  17   5.161   5.021  10.851
  126    HA   CYS  17           HA       CYS  17   2.546   5.427   9.868
  127   1HB   CYS  17          1HB       CYS  17   5.214   6.351   8.687
  128   2HB   CYS  17          2HB       CYS  17   3.641   7.094   8.377
  129    HG   CYS  17           HG       CYS  17   3.174   7.921  10.763
  130    H    ALA  18           H        ALA  18   5.368   4.200   7.948
  131    HA   ALA  18           HA       ALA  18   3.790   3.285   5.755
  132   1HB   ALA  18          1HB       ALA  18   6.310   3.641   5.781
  133   2HB   ALA  18          2HB       ALA  18   6.456   2.146   6.722
  134   3HB   ALA  18          3HB       ALA  18   5.783   2.115   5.073
  135    H    SER  19           H        SER  19   4.772   1.492   8.702
  136    HA   SER  19           HA       SER  19   3.823  -1.097   7.923
  137   1HB   SER  19          1HB       SER  19   3.801  -0.005  10.760
  138   2HB   SER  19          2HB       SER  19   4.212  -1.635  10.225
  139    HG   SER  19           HG       SER  19   6.210  -0.963   9.731
  140    H    SER  20           H        SER  20   2.129   1.660   9.438
  141    HA   SER  20           HA       SER  20  -0.347   0.218   9.829
  142   1HB   SER  20          1HB       SER  20   0.309   2.235  11.149
  143   2HB   SER  20          2HB       SER  20   0.115   3.216   9.678
  144    HG   SER  20           HG       SER  20  -2.038   2.142   9.591
  145    H    ILE  21           H        ILE  21   1.103   1.178   6.924
  146    HA   ILE  21           HA       ILE  21  -1.431   1.359   5.371
  147    HB   ILE  21           HB       ILE  21   1.418   0.719   4.469
  148   1HG1  ILE  21          1HG1      ILE  21  -0.110   3.339   4.227
  149   2HG1  ILE  21          2HG1      ILE  21   1.180   3.024   5.385
  150   1HG2  ILE  21          1HG2      ILE  21   0.628   1.043   2.203
  151   2HG2  ILE  21          2HG2      ILE  21  -0.231  -0.251   2.992
  152   3HG2  ILE  21          3HG2      ILE  21  -1.022   1.331   2.800
  153   1HD1  ILE  21          1HD1      ILE  21   1.538   3.040   2.370
  154   2HD1  ILE  21          2HD1      ILE  21   2.042   4.271   3.508
  155   3HD1  ILE  21          3HD1      ILE  21   2.798   2.663   3.564
  156    H    GLU  22           H        GLU  22   1.212  -1.033   5.521
  157    HA   GLU  22           HA       GLU  22  -0.096  -3.198   4.456
  158   1HB   GLU  22          1HB       GLU  22   2.085  -3.111   6.595
  159   2HB   GLU  22          2HB       GLU  22   1.650  -4.529   5.669
  160   1HG   GLU  22          1HG       GLU  22   2.025  -2.772   3.607
  161   2HG   GLU  22          2HG       GLU  22   3.085  -2.025   4.811
  162    H    ARG  23           H        ARG  23   0.162  -2.541   7.988
  163    HA   ARG  23           HA       ARG  23  -1.444  -4.786   8.697
  164   1HB   ARG  23          1HB       ARG  23   0.281  -3.573  10.089
  165   2HB   ARG  23          2HB       ARG  23  -0.885  -2.285  10.348
  166   1HG   ARG  23          1HG       ARG  23  -0.757  -3.829  12.261
  167   2HG   ARG  23          2HG       ARG  23  -2.373  -3.809  11.564
  168   1HD   ARG  23          1HD       ARG  23  -1.905  -5.942  10.380
  169   2HD   ARG  23          2HD       ARG  23  -0.266  -5.961  11.031
  170    HE   ARG  23           HE       ARG  23  -2.767  -6.655  12.374
  171   1HH1  ARG  23          1HH1      ARG  23   0.586  -5.753  12.988
  172   2HH1  ARG  23          2HH1      ARG  23   0.575  -6.423  14.594
  173   1HH2  ARG  23          1HH2      ARG  23  -2.719  -7.519  14.437
  174   2HH2  ARG  23          2HH2      ARG  23  -1.278  -7.403  15.396
  175    H    ALA  24           H        ALA  24  -2.421  -1.658   7.613
  176    HA   ALA  24           HA       ALA  24  -5.199  -1.912   8.638
  177   1HB   ALA  24          1HB       ALA  24  -4.267   0.350   8.460
  178   2HB   ALA  24          2HB       ALA  24  -3.937   0.107   6.729
  179   3HB   ALA  24          3HB       ALA  24  -5.607   0.135   7.313
  180    H    ILE  25           H        ILE  25  -3.390  -2.124   5.554
  181    HA   ILE  25           HA       ILE  25  -5.657  -2.805   3.914
  182    HB   ILE  25           HB       ILE  25  -2.664  -3.077   3.461
  183   1HG1  ILE  25          1HG1      ILE  25  -4.780  -1.111   2.431
  184   2HG1  ILE  25          2HG1      ILE  25  -3.567  -0.757   3.656
  185   1HG2  ILE  25          1HG2      ILE  25  -3.789  -4.754   2.052
  186   2HG2  ILE  25          2HG2      ILE  25  -4.984  -3.556   1.532
  187   3HG2  ILE  25          3HG2      ILE  25  -3.280  -3.422   1.044
  188   1HD1  ILE  25          1HD1      ILE  25  -1.794  -1.293   1.883
  189   2HD1  ILE  25          2HD1      ILE  25  -3.105  -1.239   0.705
  190   3HD1  ILE  25          3HD1      ILE  25  -2.744   0.200   1.656
  191    H    ALA  26           H        ALA  26  -3.480  -4.762   5.834
  192    HA   ALA  26           HA       ALA  26  -4.172  -7.342   5.153
  193   1HB   ALA  26          1HB       ALA  26  -2.621  -6.677   6.950
  194   2HB   ALA  26          2HB       ALA  26  -3.998  -6.180   7.966
  195   3HB   ALA  26          3HB       ALA  26  -3.785  -7.888   7.517
  196    H    LYS  27           H        LYS  27  -6.634  -5.051   6.286
  197    HA   LYS  27           HA       LYS  27  -8.579  -7.283   6.480
  198   1HB   LYS  27          1HB       LYS  27  -8.671  -4.325   7.217
  199   2HB   LYS  27          2HB       LYS  27 -10.026  -5.445   7.348
  200   1HG   LYS  27          1HG       LYS  27  -9.238  -5.562   9.433
  201   2HG   LYS  27          2HG       LYS  27  -8.454  -6.960   8.748
  202   1HD   LYS  27          1HD       LYS  27  -6.938  -5.875  10.229
  203   2HD   LYS  27          2HD       LYS  27  -6.321  -5.602   8.625
  204   1HE   LYS  27          1HE       LYS  27  -6.124  -3.564   9.917
  205   2HE   LYS  27          2HE       LYS  27  -7.257  -3.329   8.585
  206   1HZ   LYS  27          1HZ       LYS  27  -9.082  -3.618  10.117
  207   2HZ   LYS  27          2HZ       LYS  27  -8.069  -3.873  11.380
  208   3HZ   LYS  27          3HZ       LYS  27  -8.111  -2.397  10.647
  209    H    VAL  28           H        VAL  28  -7.450  -5.516   3.868
  210    HA   VAL  28           HA       VAL  28  -9.993  -4.537   2.819
  211    HB   VAL  28           HB       VAL  28  -7.219  -4.796   1.624
  212   1HG1  VAL  28          1HG1      VAL  28  -7.948  -3.476  -0.313
  213   2HG1  VAL  28          2HG1      VAL  28  -8.802  -5.021  -0.274
  214   3HG1  VAL  28          3HG1      VAL  28  -9.626  -3.531   0.239
  215   1HG2  VAL  28          1HG2      VAL  28  -7.699  -3.018   3.370
  216   2HG2  VAL  28          2HG2      VAL  28  -7.215  -2.356   1.798
  217   3HG2  VAL  28          3HG2      VAL  28  -8.922  -2.347   2.290
  218    HA   PRO  29           HA       PRO  29 -11.453  -8.404   1.522
  219   1HB   PRO  29          1HB       PRO  29 -13.251  -7.763  -0.514
  220   2HB   PRO  29          2HB       PRO  29 -13.566  -7.596   1.240
  221   1HG   PRO  29          1HG       PRO  29 -12.592  -5.471  -0.691
  222   2HG   PRO  29          2HG       PRO  29 -13.900  -5.346   0.532
  223   1HD   PRO  29          1HD       PRO  29 -11.443  -4.397   1.067
  224   2HD   PRO  29          2HD       PRO  29 -12.327  -5.302   2.326
  225    H    GLY  30           H        GLY  30 -10.345  -9.881   0.435
  226   1HA   GLY  30          1HA       GLY  30  -9.295 -10.965  -1.347
  227   2HA   GLY  30          2HA       GLY  30  -9.559  -9.548  -2.381
  228    H    VAL  31           H        VAL  31  -8.020  -8.635   0.561
  229    HA   VAL  31           HA       VAL  31  -5.329  -8.352  -0.477
  230    HB   VAL  31           HB       VAL  31  -6.121  -7.141   1.461
  231   1HG1  VAL  31          1HG1      VAL  31  -5.628  -9.564   3.218
  232   2HG1  VAL  31          2HG1      VAL  31  -6.321  -7.989   3.635
  233   3HG1  VAL  31          3HG1      VAL  31  -7.254  -9.130   2.660
  234   1HG2  VAL  31          1HG2      VAL  31  -3.982  -7.256   2.679
  235   2HG2  VAL  31          2HG2      VAL  31  -3.620  -8.821   1.929
  236   3HG2  VAL  31          3HG2      VAL  31  -3.729  -7.358   0.928
  237    H    GLN  32           H        GLN  32  -4.266  -9.971  -1.323
  238    HA   GLN  32           HA       GLN  32  -4.366 -12.692  -0.068
  239   1HB   GLN  32          1HB       GLN  32  -3.055 -13.476  -1.954
  240   2HB   GLN  32          2HB       GLN  32  -4.527 -12.659  -2.464
  241   1HG   GLN  32          1HG       GLN  32  -3.159 -11.706  -3.972
  242   2HG   GLN  32          2HG       GLN  32  -2.870 -10.565  -2.692
  243   1HE2  GLN  32          1HE2      GLN  32  -0.625 -10.222  -2.023
  244   2HE2  GLN  32          2HE2      GLN  32   0.596 -11.288  -2.686
  245    H    SER  33           H        SER  33  -2.230  -9.910  -0.452
  246    HA   SER  33           HA       SER  33  -1.043 -10.053   2.008
  247   1HB   SER  33          1HB       SER  33   0.587 -11.689   0.057
  248   2HB   SER  33          2HB       SER  33   1.380 -10.734   1.323
  249    HG   SER  33           HG       SER  33  -0.680 -12.624   1.723
  250    H    CYS  34           H        CYS  34   0.506  -8.481   2.356
  251    HA   CYS  34           HA       CYS  34   0.968  -6.510   0.182
  252   1HB   CYS  34          1HB       CYS  34   1.127  -6.173   3.220
  253   2HB   CYS  34          2HB       CYS  34   1.164  -4.881   2.039
  254    HG   CYS  34           HG       CYS  34  -1.323  -5.325   1.118
  255    H    GLN  35           H        GLN  35   2.978  -5.228   0.649
  256    HA   GLN  35           HA       GLN  35   5.023  -5.731   2.342
  257   1HB   GLN  35          1HB       GLN  35   5.219  -7.492  -0.053
  258   2HB   GLN  35          2HB       GLN  35   6.654  -6.517   0.227
  259   1HG   GLN  35          1HG       GLN  35   7.175  -7.515   2.221
  260   2HG   GLN  35          2HG       GLN  35   5.511  -7.884   2.642
  261   1HE2  GLN  35          1HE2      GLN  35   4.404  -9.619   1.444
  262   2HE2  GLN  35          2HE2      GLN  35   5.415 -11.009   0.959
  263    H    VAL  36           H        VAL  36   5.874  -3.720   2.466
  264    HA   VAL  36           HA       VAL  36   6.550  -2.389  -0.086
  265    HB   VAL  36           HB       VAL  36   5.834  -0.310   0.551
  266   1HG1  VAL  36          1HG1      VAL  36   3.536  -0.395   1.209
  267   2HG1  VAL  36          2HG1      VAL  36   3.854  -1.887   0.307
  268   3HG1  VAL  36          3HG1      VAL  36   3.759  -1.928   2.067
  269   1HG2  VAL  36          1HG2      VAL  36   6.891  -0.023   2.692
  270   2HG2  VAL  36          2HG2      VAL  36   5.194   0.437   2.812
  271   3HG2  VAL  36          3HG2      VAL  36   5.724  -1.129   3.461
  272    H    ASN  37           H        ASN  37   8.419  -1.177  -0.170
  273    HA   ASN  37           HA       ASN  37  10.512  -2.197   1.697
  274   1HB   ASN  37          1HB       ASN  37  10.526  -2.966  -0.632
  275   2HB   ASN  37          2HB       ASN  37  10.725  -1.305  -1.203
  276   1HD2  ASN  37          1HD2      ASN  37  12.509  -3.698  -1.466
  277   2HD2  ASN  37          2HD2      ASN  37  14.045  -3.232  -0.714
  278    H    PHE  38           H        PHE  38  10.860  -0.715   3.208
  279    HA   PHE  38           HA       PHE  38  10.735   2.090   2.880
  280   1HB   PHE  38          1HB       PHE  38  12.250   0.831   5.143
  281   2HB   PHE  38          2HB       PHE  38  11.177   2.224   5.157
  282    HD1  PHE  38           HD1      PHE  38  11.499  -1.313   5.688
  283    HD2  PHE  38           HD2      PHE  38   8.605   1.730   4.669
  284    HE1  PHE  38           HE1      PHE  38   9.677  -2.911   6.097
  285    HE2  PHE  38           HE2      PHE  38   6.781   0.129   5.158
  286    HZ   PHE  38           HZ       PHE  38   7.296  -2.202   5.838
  287    H    ALA  39           H        ALA  39  12.987   0.539   1.233
  288    HA   ALA  39           HA       ALA  39  15.098   2.544   1.767
  289   1HB   ALA  39          1HB       ALA  39  15.518  -0.439   1.254
  290   2HB   ALA  39          2HB       ALA  39  16.794   0.785   1.409
  291   3HB   ALA  39          3HB       ALA  39  15.768   0.395   2.802
  292    H    LEU  40           H        LEU  40  13.368   0.425  -0.549
  293    HA   LEU  40           HA       LEU  40  14.504   1.949  -2.762
  294   1HB   LEU  40          1HB       LEU  40  15.586  -0.097  -2.735
  295   2HB   LEU  40          2HB       LEU  40  14.221  -0.943  -2.044
  296    HG   LEU  40           HG       LEU  40  13.075  -0.938  -4.108
  297   1HD1  LEU  40          1HD1      LEU  40  14.253  -0.444  -6.265
  298   2HD1  LEU  40          2HD1      LEU  40  14.238   1.023  -5.275
  299   3HD1  LEU  40          3HD1      LEU  40  15.707   0.043  -5.367
  300   1HD2  LEU  40          1HD2      LEU  40  15.842  -2.195  -4.191
  301   2HD2  LEU  40          2HD2      LEU  40  14.379  -2.875  -3.442
  302   3HD2  LEU  40          3HD2      LEU  40  14.467  -2.695  -5.200
  303    H    GLU  41           H        GLU  41  12.006   2.348  -1.165
  304    HA   GLU  41           HA       GLU  41  10.048   3.377  -1.483
  305   1HB   GLU  41          1HB       GLU  41  10.863   3.421  -4.415
  306   2HB   GLU  41          2HB       GLU  41   9.390   4.135  -3.777
  307   1HG   GLU  41          1HG       GLU  41  10.794   5.576  -2.277
  308   2HG   GLU  41          2HG       GLU  41  12.204   5.030  -3.200
  309    H    GLN  42           H        GLN  42  10.333   0.309  -3.260
  310    HA   GLN  42           HA       GLN  42   7.801   0.514  -4.424
  311   1HB   GLN  42          1HB       GLN  42   7.841  -1.708  -5.064
  312   2HB   GLN  42          2HB       GLN  42   9.413  -0.999  -5.260
  313   1HG   GLN  42          1HG       GLN  42   9.065  -2.387  -2.602
  314   2HG   GLN  42          2HG       GLN  42   8.634  -3.423  -3.929
  315   1HE2  GLN  42          1HE2      GLN  42  10.814  -2.110  -5.771
  316   2HE2  GLN  42          2HE2      GLN  42  12.268  -2.846  -5.109
  317    H    ALA  43           H        ALA  43   5.839  -0.561  -4.252
  318    HA   ALA  43           HA       ALA  43   5.380  -2.138  -1.827
  319   1HB   ALA  43          1HB       ALA  43   3.320  -0.229  -2.997
  320   2HB   ALA  43          2HB       ALA  43   2.990  -1.446  -1.762
  321   3HB   ALA  43          3HB       ALA  43   4.091  -0.095  -1.409
  322    H    VAL  44           H        VAL  44   4.414  -3.947  -2.162
  323    HA   VAL  44           HA       VAL  44   3.223  -4.572  -4.827
  324    HB   VAL  44           HB       VAL  44   5.341  -5.706  -4.748
  325   1HG1  VAL  44          1HG1      VAL  44   5.948  -7.493  -3.274
  326   2HG1  VAL  44          2HG1      VAL  44   5.666  -6.040  -2.312
  327   3HG1  VAL  44          3HG1      VAL  44   4.450  -7.342  -2.351
  328   1HG2  VAL  44          1HG2      VAL  44   3.491  -6.731  -5.954
  329   2HG2  VAL  44          2HG2      VAL  44   4.585  -7.960  -5.307
  330   3HG2  VAL  44          3HG2      VAL  44   3.030  -7.665  -4.506
  331    H    VAL  45           H        VAL  45   1.095  -4.732  -4.575
  332    HA   VAL  45           HA       VAL  45   0.135  -6.577  -2.465
  333    HB   VAL  45           HB       VAL  45  -1.353  -3.967  -2.645
  334   1HG1  VAL  45          1HG1      VAL  45  -1.225  -6.125  -0.498
  335   2HG1  VAL  45          2HG1      VAL  45  -2.304  -4.717  -0.506
  336   3HG1  VAL  45          3HG1      VAL  45  -2.490  -5.987  -1.717
  337   1HG2  VAL  45          1HG2      VAL  45   0.755  -4.473  -0.532
  338   2HG2  VAL  45          2HG2      VAL  45   0.808  -3.235  -1.805
  339   3HG2  VAL  45          3HG2      VAL  45  -0.432  -3.164  -0.552
  340    H    SER  46           H        SER  46  -1.342  -7.845  -3.121
  341    HA   SER  46           HA       SER  46  -3.286  -7.062  -5.271
  342   1HB   SER  46          1HB       SER  46  -2.331  -8.990  -6.121
  343   2HB   SER  46          2HB       SER  46  -2.067  -9.717  -4.602
  344    HG   SER  46           HG       SER  46  -4.466  -9.916  -4.506
  345    H    TYR  47           H        TYR  47  -5.135  -6.506  -4.494
  346    HA   TYR  47           HA       TYR  47  -6.207  -7.371  -1.934
  347   1HB   TYR  47          1HB       TYR  47  -6.154  -5.165  -0.924
  348   2HB   TYR  47          2HB       TYR  47  -4.611  -5.922  -1.076
  349    HD1  TYR  47           HD1      TYR  47  -5.459  -2.961  -0.547
  350    HD2  TYR  47           HD2      TYR  47  -3.905  -4.974  -4.016
  351    HE1  TYR  47           HE1      TYR  47  -4.168  -0.944  -1.182
  352    HE2  TYR  47           HE2      TYR  47  -2.785  -2.921  -4.726
  353    HH   TYR  47           HH       TYR  47  -2.959   0.089  -2.857
  354    H    HIS  48           H        HIS  48  -7.297  -7.833  -4.247
  355    HA   HIS  48           HA       HIS  48  -9.625  -5.989  -4.486
  356   1HB   HIS  48          1HB       HIS  48  -8.234  -6.999  -6.975
  357   2HB   HIS  48          2HB       HIS  48  -9.315  -5.631  -6.769
  358    HD2  HIS  48           HD2      HIS  48  -5.665  -6.753  -6.425
  359    HE1  HIS  48           HE1      HIS  48  -5.683  -2.510  -5.909
  360    HE2  HIS  48           HE2      HIS  48  -4.211  -4.559  -6.324
  361    H    GLY  49           H        GLY  49 -10.892  -7.588  -3.473
  362   1HA   GLY  49          1HA       GLY  49 -11.333 -10.197  -4.848
  363   2HA   GLY  49          2HA       GLY  49 -12.061  -9.632  -3.321
  364    H    GLU  50           H        GLU  50 -12.860  -7.040  -4.527
  365    HA   GLU  50           HA       GLU  50 -15.019  -7.770  -6.409
  366   1HB   GLU  50          1HB       GLU  50 -15.423  -6.532  -3.646
  367   2HB   GLU  50          2HB       GLU  50 -16.639  -6.563  -4.926
  368   1HG   GLU  50          1HG       GLU  50 -16.639  -9.044  -4.884
  369   2HG   GLU  50          2HG       GLU  50 -15.436  -9.020  -3.581
  370    H    THR  51           H        THR  51 -15.906  -6.001  -7.419
  371    HA   THR  51           HA       THR  51 -16.010  -4.015  -8.506
  372    HB   THR  51           HB       THR  51 -17.189  -3.698  -6.397
  373    HG1  THR  51           HG1      THR  51 -17.429  -1.557  -6.732
  374   1HG2  THR  51          1HG2      THR  51 -16.278  -1.989  -4.768
  375   2HG2  THR  51          2HG2      THR  51 -15.589  -3.604  -4.639
  376   3HG2  THR  51          3HG2      THR  51 -14.662  -2.317  -5.425
  377    H    THR  52           H        THR  52 -14.849  -1.469  -7.768
  378    HA   THR  52           HA       THR  52 -11.930  -1.901  -8.206
  379    HB   THR  52           HB       THR  52 -12.648  -0.753 -10.115
  380    HG1  THR  52           HG1      THR  52 -11.384   1.144  -9.718
  381   1HG2  THR  52          1HG2      THR  52 -14.762   0.349  -9.256
  382   2HG2  THR  52          2HG2      THR  52 -13.734   1.557  -8.453
  383   3HG2  THR  52          3HG2      THR  52 -13.698   1.387 -10.215
  384    HA   PRO  53           HA       PRO  53 -12.938  -0.665  -3.990
  385   1HB   PRO  53          1HB       PRO  53 -11.139  -2.127  -2.591
  386   2HB   PRO  53          2HB       PRO  53 -12.472  -2.900  -3.496
  387   1HG   PRO  53          1HG       PRO  53  -9.594  -2.543  -4.401
  388   2HG   PRO  53          2HG       PRO  53 -10.600  -4.026  -4.434
  389   1HD   PRO  53          1HD       PRO  53 -10.303  -2.354  -6.605
  390   2HD   PRO  53          2HD       PRO  53 -11.786  -3.306  -6.302
  391    H    GLN  54           H        GLN  54 -12.168   1.417  -5.046
  392    HA   GLN  54           HA       GLN  54  -9.732   2.359  -5.497
  393   1HB   GLN  54          1HB       GLN  54 -11.899   3.504  -5.895
  394   2HB   GLN  54          2HB       GLN  54 -11.913   4.026  -4.199
  395   1HG   GLN  54          1HG       GLN  54  -9.805   5.301  -4.575
  396   2HG   GLN  54          2HG       GLN  54  -9.759   4.735  -6.253
  397   1HE2  GLN  54          1HE2      GLN  54 -10.894   7.215  -4.166
  398   2HE2  GLN  54          2HE2      GLN  54 -12.034   7.914  -5.331
  399    H    ILE  55           H        ILE  55 -10.905   2.187  -2.183
  400    HA   ILE  55           HA       ILE  55  -8.916   3.730  -0.863
  401    HB   ILE  55           HB       ILE  55 -10.597   1.346  -0.017
  402   1HG1  ILE  55          1HG1      ILE  55 -11.710   3.040   1.449
  403   2HG1  ILE  55          2HG1      ILE  55 -10.704   4.306   0.753
  404   1HG2  ILE  55          1HG2      ILE  55  -8.640   1.217   1.419
  405   2HG2  ILE  55          2HG2      ILE  55  -8.727   2.964   1.761
  406   3HG2  ILE  55          3HG2      ILE  55  -9.986   1.853   2.349
  407   1HD1  ILE  55          1HD1      ILE  55 -11.861   4.138  -1.363
  408   2HD1  ILE  55          2HD1      ILE  55 -12.667   2.622  -0.865
  409   3HD1  ILE  55          3HD1      ILE  55 -13.078   4.166  -0.091
  410    H    LEU  56           H        LEU  56  -8.494   0.857  -2.633
  411    HA   LEU  56           HA       LEU  56  -6.096  -0.185  -1.720
  412   1HB   LEU  56          1HB       LEU  56  -5.783  -0.980  -3.948
  413   2HB   LEU  56          2HB       LEU  56  -7.498  -0.944  -3.664
  414    HG   LEU  56           HG       LEU  56  -7.245   1.476  -4.873
  415   1HD1  LEU  56          1HD1      LEU  56  -5.622   1.388  -6.705
  416   2HD1  LEU  56          2HD1      LEU  56  -4.749   1.252  -5.175
  417   3HD1  LEU  56          3HD1      LEU  56  -5.036  -0.193  -6.151
  418   1HD2  LEU  56          1HD2      LEU  56  -7.321  -1.105  -6.461
  419   2HD2  LEU  56          2HD2      LEU  56  -8.711  -0.368  -5.652
  420   3HD2  LEU  56          3HD2      LEU  56  -7.908   0.486  -6.973
  421    H    THR  57           H        THR  57  -6.582   2.919  -3.413
  422    HA   THR  57           HA       THR  57  -3.681   3.535  -3.117
  423    HB   THR  57           HB       THR  57  -4.929   4.076  -5.238
  424    HG1  THR  57           HG1      THR  57  -3.610   6.102  -3.795
  425   1HG2  THR  57          1HG2      THR  57  -6.951   5.238  -4.274
  426   2HG2  THR  57          2HG2      THR  57  -5.892   6.535  -3.701
  427   3HG2  THR  57          3HG2      THR  57  -6.044   6.213  -5.434
  428    H    ASP  58           H        ASP  58  -6.807   4.848  -1.931
  429    HA   ASP  58           HA       ASP  58  -5.719   6.957  -0.497
  430   1HB   ASP  58          1HB       ASP  58  -8.164   5.401   0.379
  431   2HB   ASP  58          2HB       ASP  58  -7.818   7.106   0.644
  432    H    ALA  59           H        ALA  59  -5.832   3.581   0.471
  433    HA   ALA  59           HA       ALA  59  -5.032   3.977   3.198
  434   1HB   ALA  59          1HB       ALA  59  -6.234   1.970   2.379
  435   2HB   ALA  59          2HB       ALA  59  -4.834   1.535   1.381
  436   3HB   ALA  59          3HB       ALA  59  -4.701   1.520   3.153
  437    H    VAL  60           H        VAL  60  -3.099   4.426   0.410
  438    HA   VAL  60           HA       VAL  60  -0.624   4.168   2.097
  439    HB   VAL  60           HB       VAL  60   0.623   5.127   0.334
  440   1HG1  VAL  60          1HG1      VAL  60  -1.000   2.725  -0.621
  441   2HG1  VAL  60          2HG1      VAL  60   0.611   3.186  -1.198
  442   3HG1  VAL  60          3HG1      VAL  60   0.388   2.669   0.478
  443   1HG2  VAL  60          1HG2      VAL  60  -1.273   6.374  -0.941
  444   2HG2  VAL  60          2HG2      VAL  60   0.086   5.656  -1.812
  445   3HG2  VAL  60          3HG2      VAL  60  -1.452   4.819  -1.797
  446    H    GLU  61           H        GLU  61  -2.786   6.666   0.813
  447    HA   GLU  61           HA       GLU  61  -1.195   8.839   1.737
  448   1HB   GLU  61          1HB       GLU  61  -2.969   8.869  -0.068
  449   2HB   GLU  61          2HB       GLU  61  -4.182   8.949   1.222
  450   1HG   GLU  61          1HG       GLU  61  -3.212  11.013   2.055
  451   2HG   GLU  61          2HG       GLU  61  -1.827  10.884   0.959
  452    H    ARG  62           H        ARG  62  -3.583   6.883   3.387
  453    HA   ARG  62           HA       ARG  62  -3.958   8.232   5.768
  454   1HB   ARG  62          1HB       ARG  62  -4.686   6.248   6.595
  455   2HB   ARG  62          2HB       ARG  62  -4.663   5.846   4.909
  456   1HG   ARG  62          1HG       ARG  62  -3.770   3.967   5.947
  457   2HG   ARG  62          2HG       ARG  62  -2.372   4.774   5.257
  458   1HD   ARG  62          1HD       ARG  62  -2.251   3.689   7.648
  459   2HD   ARG  62          2HD       ARG  62  -1.400   5.166   7.319
  460    HE   ARG  62           HE       ARG  62  -2.743   6.339   8.731
  461   1HH1  ARG  62          1HH1      ARG  62  -4.406   3.313   8.078
  462   2HH1  ARG  62          2HH1      ARG  62  -5.757   3.699   9.113
  463   1HH2  ARG  62          1HH2      ARG  62  -4.465   6.814  10.048
  464   2HH2  ARG  62          2HH2      ARG  62  -5.788   5.704  10.241
  465    H    ALA  63           H        ALA  63  -0.896   6.975   4.666
  466    HA   ALA  63           HA       ALA  63   0.391   7.259   7.349
  467   1HB   ALA  63          1HB       ALA  63   1.394   6.128   4.700
  468   2HB   ALA  63          2HB       ALA  63   2.248   6.073   6.243
  469   3HB   ALA  63          3HB       ALA  63   0.731   5.174   6.054
  470    H    GLY  64           H        GLY  64  -0.277   9.295   4.808
  471   1HA   GLY  64          1HA       GLY  64   0.524  11.459   4.443
  472   2HA   GLY  64          2HA       GLY  64   2.102  11.023   5.167
  473    H    TYR  65           H        TYR  65   1.209   8.422   3.180
  474    HA   TYR  65           HA       TYR  65   3.208   9.484   1.289
  475   1HB   TYR  65          1HB       TYR  65   2.588   6.612   1.928
  476   2HB   TYR  65          2HB       TYR  65   3.943   7.187   0.991
  477    HD1  TYR  65           HD1      TYR  65   3.877   5.414   3.547
  478    HD2  TYR  65           HD2      TYR  65   4.714   9.590   2.894
  479    HE1  TYR  65           HE1      TYR  65   5.194   5.486   5.642
  480    HE2  TYR  65           HE2      TYR  65   6.060   9.648   4.970
  481    HH   TYR  65           HH       TYR  65   6.521   6.721   7.015
  482    H    HIS  66           H        HIS  66   3.175   9.176  -0.870
  483    HA   HIS  66           HA       HIS  66   0.433   8.766  -1.992
  484   1HB   HIS  66          1HB       HIS  66   2.444  10.811  -2.397
  485   2HB   HIS  66          2HB       HIS  66   2.256   9.940  -3.912
  486    HD1  HIS  66           HD1      HIS  66   1.170  12.164  -4.916
  487    HD2  HIS  66           HD2      HIS  66  -0.830  10.465  -1.608
  488    HE1  HIS  66           HE1      HIS  66  -1.172  13.310  -4.753
  489    HE2  HIS  66           HE2      HIS  66  -2.342  12.176  -2.670
  490    H    ALA  67           H        ALA  67   0.213   7.845  -4.148
  491    HA   ALA  67           HA       ALA  67   1.948   5.461  -4.535
  492   1HB   ALA  67          1HB       ALA  67  -0.491   5.141  -4.519
  493   2HB   ALA  67          2HB       ALA  67  -0.708   6.419  -5.737
  494   3HB   ALA  67          3HB       ALA  67   0.095   4.915  -6.180
  495    H    ARG  68           H        ARG  68   3.470   5.382  -6.134
  496    HA   ARG  68           HA       ARG  68   3.360   7.250  -8.446
  497   1HB   ARG  68          1HB       ARG  68   5.802   7.721  -8.181
  498   2HB   ARG  68          2HB       ARG  68   4.754   8.414  -6.947
  499   1HG   ARG  68          1HG       ARG  68   5.356   6.474  -5.452
  500   2HG   ARG  68          2HG       ARG  68   6.593   6.002  -6.627
  501   1HD   ARG  68          1HD       ARG  68   6.483   8.783  -5.452
  502   2HD   ARG  68          2HD       ARG  68   7.057   7.437  -4.476
  503    HE   ARG  68           HE       ARG  68   8.925   7.115  -5.825
  504   1HH1  ARG  68          1HH1      ARG  68   7.293  10.254  -6.523
  505   2HH1  ARG  68          2HH1      ARG  68   8.831  10.982  -6.830
  506   1HH2  ARG  68          1HH2      ARG  68  10.671   8.231  -5.717
  507   2HH2  ARG  68          2HH2      ARG  68  10.789   9.842  -6.370
  508    H    VAL  69           H        VAL  69   3.838   6.294 -10.306
  509    HA   VAL  69           HA       VAL  69   4.000   3.348 -10.115
  510    HB   VAL  69           HB       VAL  69   3.080   5.150 -12.377
  511   1HG1  VAL  69          1HG1      VAL  69   2.845   2.124 -12.051
  512   2HG1  VAL  69          2HG1      VAL  69   1.973   3.075 -13.275
  513   3HG1  VAL  69          3HG1      VAL  69   3.732   3.011 -13.320
  514   1HG2  VAL  69          1HG2      VAL  69   0.777   4.420 -11.698
  515   2HG2  VAL  69          2HG2      VAL  69   1.476   3.554 -10.311
  516   3HG2  VAL  69          3HG2      VAL  69   1.579   5.326 -10.415
  517    H    LEU  70           H        LEU  70   5.521   2.112 -10.774
  518    HA   LEU  70           HA       LEU  70   7.743   3.251 -12.333
  519   1HB   LEU  70          1HB       LEU  70   9.081   1.545 -11.457
  520   2HB   LEU  70          2HB       LEU  70   8.148   2.212 -10.165
  521    HG   LEU  70           HG       LEU  70   6.623  -0.025 -10.947
  522   1HD1  LEU  70          1HD1      LEU  70   9.571  -0.837 -10.812
  523   2HD1  LEU  70          2HD1      LEU  70   8.175  -1.924 -10.958
  524   3HD1  LEU  70          3HD1      LEU  70   8.623  -0.858 -12.299
  525   1HD2  LEU  70          1HD2      LEU  70   7.118   0.811  -8.658
  526   2HD2  LEU  70          2HD2      LEU  70   7.209  -0.954  -8.823
  527   3HD2  LEU  70          3HD2      LEU  70   8.698   0.011  -8.738
  528    H    LYS  71           H        LYS  71   6.732   3.375 -14.379
  529    HA   LYS  71           HA       LYS  71   7.155   0.928 -15.925
  530   1HB   LYS  71          1HB       LYS  71   4.389   2.200 -15.773
  531   2HB   LYS  71          2HB       LYS  71   4.944   1.378 -17.218
  532   1HG   LYS  71          1HG       LYS  71   4.025  -0.446 -16.329
  533   2HG   LYS  71          2HG       LYS  71   5.545  -0.585 -15.475
  534   1HD   LYS  71          1HD       LYS  71   4.302   0.801 -13.580
  535   2HD   LYS  71          2HD       LYS  71   2.848   0.400 -14.489
  536   1HE   LYS  71          1HE       LYS  71   2.882  -1.398 -13.034
  537   2HE   LYS  71          2HE       LYS  71   3.827  -2.073 -14.365
  538   1HZ   LYS  71          1HZ       LYS  71   4.790  -1.054 -11.769
  539   2HZ   LYS  71          2HZ       LYS  71   5.052  -2.502 -12.419
  540   3HZ   LYS  71          3HZ       LYS  71   5.825  -1.168 -13.049
  541    H    GLN  72           H        GLN  72   7.244   1.302 -18.280
  542    HA   GLN  72           HA       GLN  72   7.762   3.890 -19.397
  543   1HB   GLN  72          1HB       GLN  72   9.746   2.876 -17.563
  544   2HB   GLN  72          2HB       GLN  72  10.388   2.595 -19.154
  545   1HG   GLN  72          1HG       GLN  72   9.325   5.309 -18.255
  546   2HG   GLN  72          2HG       GLN  72  10.984   4.789 -17.991
  547   1HE2  GLN  72          1HE2      GLN  72  10.686   7.098 -19.449
  548   2HE2  GLN  72          2HE2      GLN  72  11.057   6.734 -21.129
  549    H    GLN  73           H        GLN  73   9.137   3.462 -21.512
  550    HA   GLN  73           HA       GLN  73   8.384   0.854 -22.737
  551   1HB   GLN  73          1HB       GLN  73   8.041   2.974 -24.039
  552   2HB   GLN  73          2HB       GLN  73   9.775   3.311 -23.919
  553   1HG   GLN  73          1HG       GLN  73  10.254   1.199 -25.178
  554   2HG   GLN  73          2HG       GLN  73   8.522   0.885 -25.292
  555   1HE2  GLN  73          1HE2      GLN  73   7.273   2.120 -26.869
  556   2HE2  GLN  73          2HE2      GLN  73   8.125   3.164 -28.010
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1 -10.082  -7.444  -7.230
    2   2H    MET   1          2H        MET   1 -11.595  -7.644  -7.806
    3   3H    MET   1          3H        MET   1 -10.313  -7.443  -8.855
    4    HA   MET   1           HA       MET   1 -10.758  -9.703  -7.040
    5   1HB   MET   1          1HB       MET   1 -11.981  -9.302  -9.433
    6   2HB   MET   1          2HB       MET   1 -10.552 -10.153  -9.999
    7   1HG   MET   1          1HG       MET   1 -12.401 -11.088  -7.758
    8   2HG   MET   1          2HG       MET   1 -12.603 -11.552  -9.439
    9   1HE   MET   1          1HE       MET   1 -11.374 -13.457 -10.644
   10   2HE   MET   1          2HE       MET   1  -9.943 -12.396 -10.669
   11   3HE   MET   1          3HE       MET   1  -9.792 -14.085 -10.139
   12    H    ALA   2           H        ALA   2  -9.020 -11.440  -8.773
   13    HA   ALA   2           HA       ALA   2  -6.562 -11.003  -7.431
   14   1HB   ALA   2          1HB       ALA   2  -7.415 -13.205  -8.133
   15   2HB   ALA   2          2HB       ALA   2  -7.212 -12.752  -9.845
   16   3HB   ALA   2          3HB       ALA   2  -5.796 -12.906  -8.788
   17    H    GLN   3           H        GLN   3  -6.116  -8.781  -7.917
   18    HA   GLN   3           HA       GLN   3  -4.593  -8.302 -10.453
   19   1HB   GLN   3          1HB       GLN   3  -6.745  -6.627  -9.055
   20   2HB   GLN   3          2HB       GLN   3  -5.493  -5.890 -10.042
   21   1HG   GLN   3          1HG       GLN   3  -7.342  -6.055 -11.446
   22   2HG   GLN   3          2HG       GLN   3  -6.207  -7.281 -11.980
   23   1HE2  GLN   3          1HE2      GLN   3  -7.066  -9.375 -12.260
   24   2HE2  GLN   3          2HE2      GLN   3  -8.721  -9.761 -11.831
   25    H    THR   4           H        THR   4  -2.538  -8.562  -9.480
   26    HA   THR   4           HA       THR   4  -2.025  -6.968  -7.036
   27    HB   THR   4           HB       THR   4  -1.085  -9.185  -6.938
   28    HG1  THR   4           HG1      THR   4   1.064  -8.448  -6.558
   29   1HG2  THR   4          1HG2      THR   4  -0.650  -9.619  -9.369
   30   2HG2  THR   4          2HG2      THR   4   0.652  -8.409  -9.340
   31   3HG2  THR   4          3HG2      THR   4   0.783  -9.889  -8.367
   32    H    ILE   5           H        ILE   5  -1.069  -5.154  -7.002
   33    HA   ILE   5           HA       ILE   5  -0.031  -3.915  -9.519
   34    HB   ILE   5           HB       ILE   5  -1.237  -2.557  -7.063
   35   1HG1  ILE   5          1HG1      ILE   5  -2.794  -1.476  -8.647
   36   2HG1  ILE   5          2HG1      ILE   5  -2.137  -2.415  -9.986
   37   1HG2  ILE   5          1HG2      ILE   5  -0.761  -0.422  -8.251
   38   2HG2  ILE   5          2HG2      ILE   5   0.717  -1.288  -7.863
   39   3HG2  ILE   5          3HG2      ILE   5   0.092  -1.324  -9.522
   40   1HD1  ILE   5          1HD1      ILE   5  -3.177  -4.411  -9.209
   41   2HD1  ILE   5          2HD1      ILE   5  -3.453  -3.732  -7.587
   42   3HD1  ILE   5          3HD1      ILE   5  -4.383  -3.141  -8.984
   43    H    ASN   6           H        ASN   6   2.053  -3.472  -9.471
   44    HA   ASN   6           HA       ASN   6   3.515  -3.329  -6.893
   45   1HB   ASN   6          1HB       ASN   6   5.556  -4.021  -8.064
   46   2HB   ASN   6          2HB       ASN   6   4.335  -5.292  -8.083
   47   1HD2  ASN   6          1HD2      ASN   6   2.975  -5.461 -10.124
   48   2HD2  ASN   6          2HD2      ASN   6   3.715  -4.902 -11.624
   49    H    LEU   7           H        LEU   7   4.526  -1.459  -6.555
   50    HA   LEU   7           HA       LEU   7   4.901   0.565  -8.618
   51   1HB   LEU   7          1HB       LEU   7   3.257   2.020  -8.067
   52   2HB   LEU   7          2HB       LEU   7   2.408   0.520  -8.044
   53    HG   LEU   7           HG       LEU   7   3.362   1.936  -5.492
   54   1HD1  LEU   7          1HD1      LEU   7   1.704   3.278  -6.697
   55   2HD1  LEU   7          2HD1      LEU   7   0.619   1.870  -6.809
   56   3HD1  LEU   7          3HD1      LEU   7   1.014   2.569  -5.223
   57   1HD2  LEU   7          1HD2      LEU   7   3.019  -0.517  -5.204
   58   2HD2  LEU   7          2HD2      LEU   7   1.788   0.424  -4.354
   59   3HD2  LEU   7          3HD2      LEU   7   1.391  -0.370  -5.886
   60    H    GLN   8           H        GLN   8   5.447   2.742  -7.305
   61    HA   GLN   8           HA       GLN   8   7.396   2.105  -5.144
   62   1HB   GLN   8          1HB       GLN   8   7.384   4.122  -7.340
   63   2HB   GLN   8          2HB       GLN   8   8.296   4.415  -5.845
   64   1HG   GLN   8          1HG       GLN   8   9.646   2.479  -6.150
   65   2HG   GLN   8          2HG       GLN   8   8.584   1.778  -7.339
   66   1HE2  GLN   8          1HE2      GLN   8  10.600   4.783  -6.798
   67   2HE2  GLN   8          2HE2      GLN   8  11.150   4.829  -8.450
   68    H    LEU   9           H        LEU   9   7.653   4.043  -3.570
   69    HA   LEU   9           HA       LEU   9   4.887   4.999  -2.911
   70   1HB   LEU   9          1HB       LEU   9   5.583   2.755  -1.919
   71   2HB   LEU   9          2HB       LEU   9   6.708   3.632  -0.901
   72    HG   LEU   9           HG       LEU   9   3.658   4.025  -0.979
   73   1HD1  LEU   9          1HD1      LEU   9   3.704   2.803   1.155
   74   2HD1  LEU   9          2HD1      LEU   9   4.388   1.811  -0.130
   75   3HD1  LEU   9          3HD1      LEU   9   5.465   2.605   1.040
   76   1HD2  LEU   9          1HD2      LEU   9   4.000   5.211   1.204
   77   2HD2  LEU   9          2HD2      LEU   9   5.754   5.202   0.905
   78   3HD2  LEU   9          3HD2      LEU   9   4.653   6.091  -0.178
   79    H    GLU  10           H        GLU  10   5.095   7.155  -2.952
   80    HA   GLU  10           HA       GLU  10   7.510   8.613  -2.130
   81   1HB   GLU  10          1HB       GLU  10   4.783   9.339  -3.165
   82   2HB   GLU  10          2HB       GLU  10   5.825  10.596  -2.481
   83   1HG   GLU  10          1HG       GLU  10   7.467  10.385  -4.116
   84   2HG   GLU  10          2HG       GLU  10   6.954   8.774  -4.598
   85    H    GLY  11           H        GLY  11   7.561   7.597  -0.016
   86   1HA   GLY  11          1HA       GLY  11   6.440   9.360   2.049
   87   2HA   GLY  11          2HA       GLY  11   5.847   7.700   2.007
   88    H    MET  12           H        MET  12   6.876   6.255   2.995
   89    HA   MET  12           HA       MET  12   8.183   5.461   4.771
   90   1HB   MET  12          1HB       MET  12  10.229   4.491   3.855
   91   2HB   MET  12          2HB       MET  12   8.845   4.289   2.788
   92   1HG   MET  12          1HG       MET  12   9.642   6.043   1.299
   93   2HG   MET  12          2HG       MET  12  10.955   6.446   2.426
   94   1HE   MET  12          1HE       MET  12  11.427   6.058  -0.601
   95   2HE   MET  12          2HE       MET  12  12.741   6.364   0.569
   96   3HE   MET  12          3HE       MET  12  12.884   5.048  -0.606
   97    H    ARG  13           H        ARG  13   8.047   8.192   5.253
   98    HA   ARG  13           HA       ARG  13  10.475   9.517   4.991
   99   1HB   ARG  13          1HB       ARG  13   8.077  10.157   6.739
  100   2HB   ARG  13          2HB       ARG  13   9.454  11.239   6.622
  101   1HG   ARG  13          1HG       ARG  13   7.756  10.403   4.232
  102   2HG   ARG  13          2HG       ARG  13   7.548  11.869   5.181
  103   1HD   ARG  13          1HD       ARG  13   8.760  12.642   3.378
  104   2HD   ARG  13          2HD       ARG  13  10.003  12.439   4.608
  105    HE   ARG  13           HE       ARG  13   9.411  10.416   2.454
  106   1HH1  ARG  13          1HH1      ARG  13  11.919  11.958   4.417
  107   2HH1  ARG  13          2HH1      ARG  13  13.176  11.065   3.608
  108   1HH2  ARG  13          1HH2      ARG  13  11.004   9.324   1.535
  109   2HH2  ARG  13          2HH2      ARG  13  12.671   9.634   1.911
  110    H    CYS  14           H        CYS  14   9.306   8.121   8.002
  111    HA   CYS  14           HA       CYS  14  11.840   7.993   9.385
  112   1HB   CYS  14          1HB       CYS  14  11.529   9.989  10.844
  113   2HB   CYS  14          2HB       CYS  14  11.740  10.460   9.165
  114    HG   CYS  14           HG       CYS  14   9.117  10.399  11.133
  115    H    ALA  15           H        ALA  15   8.826   6.768   9.242
  116    HA   ALA  15           HA       ALA  15   8.494   6.328  12.112
  117   1HB   ALA  15          1HB       ALA  15   7.624   8.625  11.859
  118   2HB   ALA  15          2HB       ALA  15   6.540   8.089  10.555
  119   3HB   ALA  15          3HB       ALA  15   6.303   7.505  12.215
  120    H    ALA  16           H        ALA  16   6.686   5.015  12.630
  121    HA   ALA  16           HA       ALA  16   6.604   2.685  11.065
  122   1HB   ALA  16          1HB       ALA  16   6.527   2.775  13.532
  123   2HB   ALA  16          2HB       ALA  16   4.905   3.507  13.467
  124   3HB   ALA  16          3HB       ALA  16   5.165   1.852  12.886
  125    H    CYS  17           H        CYS  17   4.538   5.387  10.508
  126    HA   CYS  17           HA       CYS  17   2.087   4.404   9.813
  127   1HB   CYS  17          1HB       CYS  17   3.801   6.421   8.274
  128   2HB   CYS  17          2HB       CYS  17   2.042   6.287   8.231
  129    HG   CYS  17           HG       CYS  17   2.565   8.361   9.639
  130    H    ALA  18           H        ALA  18   5.103   3.700   8.091
  131    HA   ALA  18           HA       ALA  18   3.922   3.274   5.517
  132   1HB   ALA  18          1HB       ALA  18   6.599   2.299   6.608
  133   2HB   ALA  18          2HB       ALA  18   6.125   2.559   4.908
  134   3HB   ALA  18          3HB       ALA  18   6.300   3.933   5.992
  135    H    SER  19           H        SER  19   5.236   0.699   7.789
  136    HA   SER  19           HA       SER  19   3.611  -1.306   6.398
  137   1HB   SER  19          1HB       SER  19   5.144  -1.426   8.995
  138   2HB   SER  19          2HB       SER  19   4.188  -2.777   8.337
  139    HG   SER  19           HG       SER  19   5.393  -2.770   6.471
  140    H    SER  20           H        SER  20   2.776   1.115   8.668
  141    HA   SER  20           HA       SER  20   0.294  -0.167   9.518
  142   1HB   SER  20          1HB       SER  20   1.675   2.177  10.219
  143   2HB   SER  20          2HB       SER  20   0.195   2.743   9.454
  144    HG   SER  20           HG       SER  20   0.596   1.214  11.771
  145    H    ILE  21           H        ILE  21   1.323   1.175   6.486
  146    HA   ILE  21           HA       ILE  21  -1.359   1.404   5.287
  147    HB   ILE  21           HB       ILE  21   1.313   0.754   3.967
  148   1HG1  ILE  21          1HG1      ILE  21  -0.105   3.445   4.069
  149   2HG1  ILE  21          2HG1      ILE  21   1.215   3.012   5.137
  150   1HG2  ILE  21          1HG2      ILE  21  -1.308   1.603   2.700
  151   2HG2  ILE  21          2HG2      ILE  21   0.233   1.330   1.863
  152   3HG2  ILE  21          3HG2      ILE  21  -0.588  -0.010   2.624
  153   1HD1  ILE  21          1HD1      ILE  21   2.741   2.732   3.266
  154   2HD1  ILE  21          2HD1      ILE  21   1.444   3.149   2.119
  155   3HD1  ILE  21          3HD1      ILE  21   2.013   4.352   3.278
  156    H    GLU  22           H        GLU  22   1.209  -1.142   5.159
  157    HA   GLU  22           HA       GLU  22  -0.317  -3.149   3.990
  158   1HB   GLU  22          1HB       GLU  22   1.826  -3.489   6.131
  159   2HB   GLU  22          2HB       GLU  22   1.292  -4.725   4.991
  160   1HG   GLU  22          1HG       GLU  22   2.126  -3.361   3.094
  161   2HG   GLU  22          2HG       GLU  22   2.618  -2.084   4.203
  162    H    ARG  23           H        ARG  23  -0.041  -2.413   7.492
  163    HA   ARG  23           HA       ARG  23  -1.884  -4.432   8.330
  164   1HB   ARG  23          1HB       ARG  23  -0.035  -3.169   9.660
  165   2HB   ARG  23          2HB       ARG  23  -1.224  -1.879   9.840
  166   1HG   ARG  23          1HG       ARG  23  -1.295  -3.245  11.820
  167   2HG   ARG  23          2HG       ARG  23  -2.777  -3.546  10.925
  168   1HD   ARG  23          1HD       ARG  23  -0.981  -5.489   9.929
  169   2HD   ARG  23          2HD       ARG  23  -0.540  -5.372  11.616
  170    HE   ARG  23           HE       ARG  23  -3.189  -6.148  10.475
  171   1HH1  ARG  23          1HH1      ARG  23  -1.257  -5.905  13.436
  172   2HH1  ARG  23          2HH1      ARG  23  -2.297  -6.994  14.304
  173   1HH2  ARG  23          1HH2      ARG  23  -4.460  -7.540  11.642
  174   2HH2  ARG  23          2HH2      ARG  23  -4.097  -7.889  13.308
  175    H    ALA  24           H        ALA  24  -2.498  -1.247   6.995
  176    HA   ALA  24           HA       ALA  24  -5.298  -1.200   7.951
  177   1HB   ALA  24          1HB       ALA  24  -4.136   0.948   7.713
  178   2HB   ALA  24          2HB       ALA  24  -3.781   0.604   6.005
  179   3HB   ALA  24          3HB       ALA  24  -5.454   0.840   6.530
  180    H    ILE  25           H        ILE  25  -3.493  -1.930   4.937
  181    HA   ILE  25           HA       ILE  25  -5.886  -2.616   3.407
  182    HB   ILE  25           HB       ILE  25  -2.898  -3.004   3.035
  183   1HG1  ILE  25          1HG1      ILE  25  -3.638  -0.749   2.620
  184   2HG1  ILE  25          2HG1      ILE  25  -3.249  -1.507   1.091
  185   1HG2  ILE  25          1HG2      ILE  25  -3.397  -3.798   0.731
  186   2HG2  ILE  25          2HG2      ILE  25  -3.776  -4.961   1.992
  187   3HG2  ILE  25          3HG2      ILE  25  -5.089  -4.062   1.209
  188   1HD1  ILE  25          1HD1      ILE  25  -5.242  -0.316   0.639
  189   2HD1  ILE  25          2HD1      ILE  25  -5.831  -1.961   0.869
  190   3HD1  ILE  25          3HD1      ILE  25  -5.993  -0.783   2.176
  191    H    ALA  26           H        ALA  26  -3.733  -4.496   5.484
  192    HA   ALA  26           HA       ALA  26  -4.757  -7.050   5.054
  193   1HB   ALA  26          1HB       ALA  26  -2.903  -6.490   6.581
  194   2HB   ALA  26          2HB       ALA  26  -4.062  -5.753   7.720
  195   3HB   ALA  26          3HB       ALA  26  -4.117  -7.499   7.383
  196    H    LYS  27           H        LYS  27  -6.774  -4.437   5.994
  197    HA   LYS  27           HA       LYS  27  -8.896  -6.192   7.132
  198   1HB   LYS  27          1HB       LYS  27  -8.915  -3.229   6.466
  199   2HB   LYS  27          2HB       LYS  27 -10.148  -4.147   7.344
  200   1HG   LYS  27          1HG       LYS  27  -8.359  -4.711   9.075
  201   2HG   LYS  27          2HG       LYS  27  -7.301  -3.547   8.260
  202   1HD   LYS  27          1HD       LYS  27  -9.862  -2.273   8.631
  203   2HD   LYS  27          2HD       LYS  27  -9.454  -3.108  10.134
  204   1HE   LYS  27          1HE       LYS  27  -7.260  -1.931  10.185
  205   2HE   LYS  27          2HE       LYS  27  -7.611  -1.197   8.614
  206   1HZ   LYS  27          1HZ       LYS  27  -9.176  -0.730  11.092
  207   2HZ   LYS  27          2HZ       LYS  27  -8.128   0.345  10.413
  208   3HZ   LYS  27          3HZ       LYS  27  -9.508  -0.067   9.629
  209    H    VAL  28           H        VAL  28  -7.886  -5.197   3.970
  210    HA   VAL  28           HA       VAL  28 -10.561  -4.627   2.950
  211    HB   VAL  28           HB       VAL  28  -7.862  -4.825   1.550
  212   1HG1  VAL  28          1HG1      VAL  28  -8.934  -3.686  -0.380
  213   2HG1  VAL  28          2HG1      VAL  28  -9.573  -5.314  -0.143
  214   3HG1  VAL  28          3HG1      VAL  28 -10.522  -3.896   0.374
  215   1HG2  VAL  28          1HG2      VAL  28  -9.632  -2.449   2.308
  216   2HG2  VAL  28          2HG2      VAL  28  -8.117  -2.904   3.109
  217   3HG2  VAL  28          3HG2      VAL  28  -8.095  -2.350   1.430
  218    HA   PRO  29           HA       PRO  29 -11.500  -8.789   2.013
  219   1HB   PRO  29          1HB       PRO  29 -13.660  -8.495   0.286
  220   2HB   PRO  29          2HB       PRO  29 -13.761  -8.310   2.066
  221   1HG   PRO  29          1HG       PRO  29 -13.420  -6.137  -0.023
  222   2HG   PRO  29          2HG       PRO  29 -14.552  -6.172   1.367
  223   1HD   PRO  29          1HD       PRO  29 -12.197  -4.839   1.495
  224   2HD   PRO  29          2HD       PRO  29 -12.803  -5.744   2.914
  225    H    GLY  30           H        GLY  30 -10.366 -10.058   0.593
  226   1HA   GLY  30          1HA       GLY  30  -9.492 -10.753  -1.491
  227   2HA   GLY  30          2HA       GLY  30  -9.934  -9.200  -2.219
  228    H    VAL  31           H        VAL  31  -8.277  -8.486   0.645
  229    HA   VAL  31           HA       VAL  31  -5.627  -8.136  -0.471
  230    HB   VAL  31           HB       VAL  31  -6.376  -7.049   1.594
  231   1HG1  VAL  31          1HG1      VAL  31  -5.749  -9.598   3.123
  232   2HG1  VAL  31          2HG1      VAL  31  -6.424  -8.076   3.724
  233   3HG1  VAL  31          3HG1      VAL  31  -7.408  -9.140   2.705
  234   1HG2  VAL  31          1HG2      VAL  31  -4.002  -7.190   0.939
  235   2HG2  VAL  31          2HG2      VAL  31  -4.176  -7.224   2.703
  236   3HG2  VAL  31          3HG2      VAL  31  -3.830  -8.721   1.820
  237    H    GLN  32           H        GLN  32  -4.491  -9.641  -1.342
  238    HA   GLN  32           HA       GLN  32  -4.371 -12.366  -0.077
  239   1HB   GLN  32          1HB       GLN  32  -4.182 -13.399  -2.243
  240   2HB   GLN  32          2HB       GLN  32  -5.647 -12.441  -2.137
  241   1HG   GLN  32          1HG       GLN  32  -5.080 -11.557  -4.106
  242   2HG   GLN  32          2HG       GLN  32  -3.895 -10.607  -3.222
  243   1HE2  GLN  32          1HE2      GLN  32  -1.851 -12.661  -2.725
  244   2HE2  GLN  32          2HE2      GLN  32  -1.244 -13.006  -4.343
  245    H    SER  33           H        SER  33  -2.508  -9.633  -0.734
  246    HA   SER  33           HA       SER  33  -1.341 -10.061   1.454
  247   1HB   SER  33          1HB       SER  33  -0.440 -12.282   0.970
  248   2HB   SER  33          2HB       SER  33   0.667 -11.571  -0.226
  249    HG   SER  33           HG       SER  33   1.635 -10.415   1.499
  250    H    CYS  34           H        CYS  34   0.009  -8.494   2.139
  251    HA   CYS  34           HA       CYS  34   0.934  -6.489   0.198
  252   1HB   CYS  34          1HB       CYS  34   1.212  -6.552   3.235
  253   2HB   CYS  34          2HB       CYS  34   1.246  -5.129   2.190
  254    HG   CYS  34           HG       CYS  34  -1.017  -5.302   3.755
  255    H    GLN  35           H        GLN  35   3.071  -5.598   0.368
  256    HA   GLN  35           HA       GLN  35   5.179  -6.418   1.985
  257   1HB   GLN  35          1HB       GLN  35   4.941  -7.917  -0.580
  258   2HB   GLN  35          2HB       GLN  35   6.501  -7.156  -0.355
  259   1HG   GLN  35          1HG       GLN  35   7.095  -8.424   1.444
  260   2HG   GLN  35          2HG       GLN  35   5.447  -8.661   2.019
  261   1HE2  GLN  35          1HE2      GLN  35   4.007  -9.945   0.461
  262   2HE2  GLN  35          2HE2      GLN  35   4.772 -11.405  -0.210
  263    H    VAL  36           H        VAL  36   5.980  -4.428   2.242
  264    HA   VAL  36           HA       VAL  36   6.733  -2.838  -0.169
  265    HB   VAL  36           HB       VAL  36   6.502  -0.826   1.098
  266   1HG1  VAL  36          1HG1      VAL  36   4.384  -1.887   0.199
  267   2HG1  VAL  36          2HG1      VAL  36   4.053  -2.477   1.822
  268   3HG1  VAL  36          3HG1      VAL  36   4.151  -0.732   1.526
  269   1HG2  VAL  36          1HG2      VAL  36   7.361  -1.467   3.247
  270   2HG2  VAL  36          2HG2      VAL  36   5.713  -0.846   3.484
  271   3HG2  VAL  36          3HG2      VAL  36   6.045  -2.592   3.523
  272    H    ASN  37           H        ASN  37   8.606  -1.434   0.041
  273    HA   ASN  37           HA       ASN  37  10.860  -2.705   1.555
  274   1HB   ASN  37          1HB       ASN  37  10.461  -3.623  -0.725
  275   2HB   ASN  37          2HB       ASN  37  10.693  -2.026  -1.412
  276   1HD2  ASN  37          1HD2      ASN  37  12.151  -4.539  -1.853
  277   2HD2  ASN  37          2HD2      ASN  37  13.843  -4.204  -1.435
  278    H    PHE  38           H        PHE  38  11.276  -0.977   2.947
  279    HA   PHE  38           HA       PHE  38  11.499   1.747   2.043
  280   1HB   PHE  38          1HB       PHE  38  12.541   0.609   4.650
  281   2HB   PHE  38          2HB       PHE  38  12.064   2.275   4.317
  282    HD1  PHE  38           HD1      PHE  38  11.085  -0.158   6.323
  283    HD2  PHE  38           HD2      PHE  38   9.483   1.928   2.896
  284    HE1  PHE  38           HE1      PHE  38   8.805  -0.843   6.965
  285    HE2  PHE  38           HE2      PHE  38   7.242   1.206   3.499
  286    HZ   PHE  38           HZ       PHE  38   6.854  -0.162   5.575
  287    H    ALA  39           H        ALA  39  13.382  -0.054   0.613
  288    HA   ALA  39           HA       ALA  39  15.696   1.690   1.071
  289   1HB   ALA  39          1HB       ALA  39  16.249  -0.432   2.226
  290   2HB   ALA  39          2HB       ALA  39  15.895  -1.353   0.746
  291   3HB   ALA  39          3HB       ALA  39  17.272  -0.229   0.790
  292    H    LEU  40           H        LEU  40  13.895  -0.521  -1.132
  293    HA   LEU  40           HA       LEU  40  14.966   0.955  -3.424
  294   1HB   LEU  40          1HB       LEU  40  15.927  -1.198  -3.283
  295   2HB   LEU  40          2HB       LEU  40  14.448  -1.934  -2.680
  296    HG   LEU  40           HG       LEU  40  13.424  -1.784  -4.746
  297   1HD1  LEU  40          1HD1      LEU  40  14.587   0.176  -5.815
  298   2HD1  LEU  40          2HD1      LEU  40  16.080  -0.776  -5.897
  299   3HD1  LEU  40          3HD1      LEU  40  14.668  -1.238  -6.872
  300   1HD2  LEU  40          1HD2      LEU  40  16.122  -3.156  -4.916
  301   2HD2  LEU  40          2HD2      LEU  40  14.645  -3.808  -4.171
  302   3HD2  LEU  40          3HD2      LEU  40  14.712  -3.551  -5.923
  303    H    GLU  41           H        GLU  41  12.693   1.598  -1.674
  304    HA   GLU  41           HA       GLU  41  10.789   2.739  -1.832
  305   1HB   GLU  41          1HB       GLU  41  11.529   2.721  -4.784
  306   2HB   GLU  41          2HB       GLU  41  10.120   3.556  -4.134
  307   1HG   GLU  41          1HG       GLU  41  11.616   4.844  -2.607
  308   2HG   GLU  41          2HG       GLU  41  13.010   4.131  -3.432
  309    H    GLN  42           H        GLN  42  10.628  -0.340  -3.538
  310    HA   GLN  42           HA       GLN  42   8.051   0.225  -4.528
  311   1HB   GLN  42          1HB       GLN  42   7.729  -1.876  -5.321
  312   2HB   GLN  42          2HB       GLN  42   9.389  -1.538  -5.562
  313   1HG   GLN  42          1HG       GLN  42   8.358  -3.191  -3.116
  314   2HG   GLN  42          2HG       GLN  42   8.437  -3.900  -4.711
  315   1HE2  GLN  42          1HE2      GLN  42  11.119  -2.092  -5.016
  316   2HE2  GLN  42          2HE2      GLN  42  12.236  -3.220  -4.252
  317    H    ALA  43           H        ALA  43   6.137  -0.768  -4.242
  318    HA   ALA  43           HA       ALA  43   5.553  -2.342  -1.811
  319   1HB   ALA  43          1HB       ALA  43   3.209  -1.390  -1.869
  320   2HB   ALA  43          2HB       ALA  43   4.445  -0.183  -1.438
  321   3HB   ALA  43          3HB       ALA  43   3.770  -0.202  -3.068
  322    H    VAL  44           H        VAL  44   4.491  -4.214  -2.283
  323    HA   VAL  44           HA       VAL  44   3.085  -4.357  -4.890
  324    HB   VAL  44           HB       VAL  44   5.102  -5.676  -5.181
  325   1HG1  VAL  44          1HG1      VAL  44   5.556  -6.397  -2.854
  326   2HG1  VAL  44          2HG1      VAL  44   4.165  -7.505  -2.933
  327   3HG1  VAL  44          3HG1      VAL  44   5.560  -7.747  -3.995
  328   1HG2  VAL  44          1HG2      VAL  44   4.089  -7.702  -6.036
  329   2HG2  VAL  44          2HG2      VAL  44   2.668  -7.493  -4.994
  330   3HG2  VAL  44          3HG2      VAL  44   2.988  -6.340  -6.309
  331    H    VAL  45           H        VAL  45   1.013  -4.935  -4.780
  332    HA   VAL  45           HA       VAL  45   0.118  -6.762  -2.671
  333    HB   VAL  45           HB       VAL  45  -1.561  -4.266  -2.787
  334   1HG1  VAL  45          1HG1      VAL  45  -2.246  -5.034  -0.561
  335   2HG1  VAL  45          2HG1      VAL  45  -2.407  -6.346  -1.726
  336   3HG1  VAL  45          3HG1      VAL  45  -1.053  -6.327  -0.603
  337   1HG2  VAL  45          1HG2      VAL  45   0.669  -4.457  -0.744
  338   2HG2  VAL  45          2HG2      VAL  45   0.600  -3.300  -2.098
  339   3HG2  VAL  45          3HG2      VAL  45  -0.621  -3.256  -0.828
  340    H    SER  46           H        SER  46  -1.574  -7.962  -3.312
  341    HA   SER  46           HA       SER  46  -3.472  -6.806  -5.323
  342   1HB   SER  46          1HB       SER  46  -2.988  -8.790  -6.385
  343   2HB   SER  46          2HB       SER  46  -2.793  -9.705  -4.951
  344    HG   SER  46           HG       SER  46  -5.146  -9.455  -4.700
  345    H    TYR  47           H        TYR  47  -5.296  -6.256  -4.567
  346    HA   TYR  47           HA       TYR  47  -6.208  -6.858  -1.852
  347   1HB   TYR  47          1HB       TYR  47  -5.882  -4.557  -1.101
  348   2HB   TYR  47          2HB       TYR  47  -4.448  -5.497  -1.276
  349    HD1  TYR  47           HD1      TYR  47  -4.600  -2.625  -0.795
  350    HD2  TYR  47           HD2      TYR  47  -4.192  -4.706  -4.543
  351    HE1  TYR  47           HE1      TYR  47  -3.247  -0.762  -1.678
  352    HE2  TYR  47           HE2      TYR  47  -2.896  -2.834  -5.437
  353    HH   TYR  47           HH       TYR  47  -2.208   0.104  -3.514
  354    H    HIS  48           H        HIS  48  -7.650  -7.439  -3.930
  355    HA   HIS  48           HA       HIS  48  -9.870  -5.451  -3.910
  356   1HB   HIS  48          1HB       HIS  48  -8.723  -6.700  -6.416
  357   2HB   HIS  48          2HB       HIS  48  -9.934  -5.448  -6.318
  358    HD2  HIS  48           HD2      HIS  48  -6.272  -6.163  -6.498
  359    HE1  HIS  48           HE1      HIS  48  -6.519  -1.933  -6.068
  360    HE2  HIS  48           HE2      HIS  48  -4.966  -3.884  -6.637
  361    H    GLY  49           H        GLY  49 -11.702  -6.536  -3.388
  362   1HA   GLY  49          1HA       GLY  49 -12.002  -9.416  -3.565
  363   2HA   GLY  49          2HA       GLY  49 -13.204  -8.228  -3.015
  364    H    GLU  50           H        GLU  50 -14.998  -8.448  -4.138
  365    HA   GLU  50           HA       GLU  50 -15.279  -9.468  -6.806
  366   1HB   GLU  50          1HB       GLU  50 -17.563  -8.776  -6.606
  367   2HB   GLU  50          2HB       GLU  50 -17.039  -9.499  -5.099
  368   1HG   GLU  50          1HG       GLU  50 -17.672  -6.598  -5.675
  369   2HG   GLU  50          2HG       GLU  50 -18.442  -7.675  -4.520
  370    H    THR  51           H        THR  51 -15.064  -6.133  -5.534
  371    HA   THR  51           HA       THR  51 -14.979  -4.932  -8.212
  372    HB   THR  51           HB       THR  51 -14.689  -2.803  -6.870
  373    HG1  THR  51           HG1      THR  51 -15.238  -4.459  -4.624
  374   1HG2  THR  51          1HG2      THR  51 -16.928  -2.698  -5.988
  375   2HG2  THR  51          2HG2      THR  51 -16.932  -3.547  -7.549
  376   3HG2  THR  51          3HG2      THR  51 -17.083  -4.460  -6.034
  377    H    THR  52           H        THR  52 -13.295  -3.105  -8.356
  378    HA   THR  52           HA       THR  52 -10.590  -3.775  -7.286
  379    HB   THR  52           HB       THR  52 -11.202  -2.288  -9.858
  380    HG1  THR  52           HG1      THR  52 -10.235  -4.120 -10.770
  381   1HG2  THR  52          1HG2      THR  52  -8.543  -3.157  -8.619
  382   2HG2  THR  52          2HG2      THR  52  -8.759  -2.332 -10.177
  383   3HG2  THR  52          3HG2      THR  52  -9.136  -1.486  -8.672
  384    HA   PRO  53           HA       PRO  53 -12.583  -0.092  -5.445
  385   1HB   PRO  53          1HB       PRO  53 -11.981  -0.440  -2.808
  386   2HB   PRO  53          2HB       PRO  53 -13.248  -1.386  -3.647
  387   1HG   PRO  53          1HG       PRO  53 -10.375  -2.204  -3.094
  388   2HG   PRO  53          2HG       PRO  53 -11.875  -3.142  -2.793
  389   1HD   PRO  53          1HD       PRO  53 -10.370  -3.485  -5.031
  390   2HD   PRO  53          2HD       PRO  53 -12.142  -3.629  -5.070
  391    H    GLN  54           H        GLN  54 -11.719   1.924  -5.388
  392    HA   GLN  54           HA       GLN  54  -8.896   2.357  -5.496
  393   1HB   GLN  54          1HB       GLN  54  -9.377   4.680  -5.689
  394   2HB   GLN  54          2HB       GLN  54 -10.492   3.747  -6.681
  395   1HG   GLN  54          1HG       GLN  54 -12.255   4.041  -4.901
  396   2HG   GLN  54          2HG       GLN  54 -11.114   5.041  -3.982
  397   1HE2  GLN  54          1HE2      GLN  54 -12.672   4.851  -7.300
  398   2HE2  GLN  54          2HE2      GLN  54 -12.659   6.609  -7.444
  399    H    ILE  55           H        ILE  55 -10.480   1.496  -2.796
  400    HA   ILE  55           HA       ILE  55  -9.167   2.926  -0.694
  401    HB   ILE  55           HB       ILE  55  -9.852  -0.028  -0.915
  402   1HG1  ILE  55          1HG1      ILE  55 -11.879   1.277  -1.207
  403   2HG1  ILE  55          2HG1      ILE  55 -11.888   0.496   0.359
  404   1HG2  ILE  55          1HG2      ILE  55  -9.150   1.659   1.520
  405   2HG2  ILE  55          2HG2      ILE  55  -9.915   0.056   1.607
  406   3HG2  ILE  55          3HG2      ILE  55  -8.305   0.222   0.911
  407   1HD1  ILE  55          1HD1      ILE  55 -11.298   3.449  -0.157
  408   2HD1  ILE  55          2HD1      ILE  55 -12.780   2.762   0.521
  409   3HD1  ILE  55          3HD1      ILE  55 -11.271   2.667   1.440
  410    H    LEU  56           H        LEU  56  -7.951   0.803  -3.147
  411    HA   LEU  56           HA       LEU  56  -5.417   0.098  -2.271
  412   1HB   LEU  56          1HB       LEU  56  -4.943  -0.221  -4.568
  413   2HB   LEU  56          2HB       LEU  56  -6.667  -0.405  -4.441
  414    HG   LEU  56           HG       LEU  56  -6.640   2.205  -5.146
  415   1HD1  LEU  56          1HD1      LEU  56  -4.850   2.657  -6.795
  416   2HD1  LEU  56          2HD1      LEU  56  -4.119   2.386  -5.212
  417   3HD1  LEU  56          3HD1      LEU  56  -4.083   1.100  -6.424
  418   1HD2  LEU  56          1HD2      LEU  56  -7.711   0.347  -6.428
  419   2HD2  LEU  56          2HD2      LEU  56  -6.930   1.540  -7.472
  420   3HD2  LEU  56          3HD2      LEU  56  -6.140  -0.020  -7.169
  421    H    THR  57           H        THR  57  -6.508   3.319  -3.110
  422    HA   THR  57           HA       THR  57  -3.771   4.475  -2.848
  423    HB   THR  57           HB       THR  57  -6.416   5.771  -3.666
  424    HG1  THR  57           HG1      THR  57  -4.185   4.835  -5.132
  425   1HG2  THR  57          1HG2      THR  57  -4.850   7.453  -2.823
  426   2HG2  THR  57          2HG2      THR  57  -3.523   6.769  -3.780
  427   3HG2  THR  57          3HG2      THR  57  -4.908   7.551  -4.584
  428    H    ASP  58           H        ASP  58  -7.060   4.849  -1.528
  429    HA   ASP  58           HA       ASP  58  -6.821   6.764   0.407
  430   1HB   ASP  58          1HB       ASP  58  -8.852   5.453  -0.232
  431   2HB   ASP  58          2HB       ASP  58  -8.190   4.075   0.657
  432    H    ALA  59           H        ALA  59  -5.951   3.304   0.917
  433    HA   ALA  59           HA       ALA  59  -5.055   3.765   3.582
  434   1HB   ALA  59          1HB       ALA  59  -4.250   1.435   3.466
  435   2HB   ALA  59          2HB       ALA  59  -5.849   1.579   2.698
  436   3HB   ALA  59          3HB       ALA  59  -4.377   1.488   1.693
  437    H    VAL  60           H        VAL  60  -3.378   4.549   0.735
  438    HA   VAL  60           HA       VAL  60  -0.717   4.621   2.118
  439    HB   VAL  60           HB       VAL  60  -1.344   5.555  -0.716
  440   1HG1  VAL  60          1HG1      VAL  60   0.680   6.558   0.197
  441   2HG1  VAL  60          2HG1      VAL  60   1.285   4.972   0.702
  442   3HG1  VAL  60          3HG1      VAL  60   1.103   5.352  -1.020
  443   1HG2  VAL  60          1HG2      VAL  60  -1.773   3.124  -0.591
  444   2HG2  VAL  60          2HG2      VAL  60  -0.294   3.463  -1.489
  445   3HG2  VAL  60          3HG2      VAL  60  -0.192   2.885   0.184
  446    H    GLU  61           H        GLU  61  -3.378   6.723   1.011
  447    HA   GLU  61           HA       GLU  61  -2.104   9.246   1.636
  448   1HB   GLU  61          1HB       GLU  61  -5.064   8.555   1.650
  449   2HB   GLU  61          2HB       GLU  61  -4.369  10.166   1.569
  450   1HG   GLU  61          1HG       GLU  61  -4.071   8.006  -0.569
  451   2HG   GLU  61          2HG       GLU  61  -5.234   9.323  -0.611
  452    H    ARG  62           H        ARG  62  -4.240   7.066   3.451
  453    HA   ARG  62           HA       ARG  62  -4.441   7.969   6.017
  454   1HB   ARG  62          1HB       ARG  62  -5.409   5.943   5.389
  455   2HB   ARG  62          2HB       ARG  62  -3.933   5.315   4.707
  456   1HG   ARG  62          1HG       ARG  62  -4.323   5.566   7.688
  457   2HG   ARG  62          2HG       ARG  62  -4.844   4.176   6.761
  458   1HD   ARG  62          1HD       ARG  62  -2.546   3.668   6.042
  459   2HD   ARG  62          2HD       ARG  62  -1.888   5.018   6.942
  460    HE   ARG  62           HE       ARG  62  -2.521   2.479   7.971
  461   1HH1  ARG  62          1HH1      ARG  62  -2.535   5.915   8.871
  462   2HH1  ARG  62          2HH1      ARG  62  -2.345   5.565  10.565
  463   1HH2  ARG  62          1HH2      ARG  62  -2.193   2.110  10.131
  464   2HH2  ARG  62          2HH2      ARG  62  -2.209   3.410  11.276
  465    H    ALA  63           H        ALA  63  -1.358   7.278   4.551
  466    HA   ALA  63           HA       ALA  63  -0.013   7.076   7.221
  467   1HB   ALA  63          1HB       ALA  63   1.850   6.102   5.932
  468   2HB   ALA  63          2HB       ALA  63   0.340   5.222   5.638
  469   3HB   ALA  63          3HB       ALA  63   0.962   6.362   4.424
  470    H    GLY  64           H        GLY  64  -0.693   9.430   4.886
  471   1HA   GLY  64          1HA       GLY  64   0.017  11.649   4.836
  472   2HA   GLY  64          2HA       GLY  64   1.503  11.225   5.743
  473    H    TYR  65           H        TYR  65   0.753   8.982   3.249
  474    HA   TYR  65           HA       TYR  65   3.060  10.037   1.699
  475   1HB   TYR  65          1HB       TYR  65   2.293   7.165   2.293
  476   2HB   TYR  65          2HB       TYR  65   3.709   7.694   1.406
  477    HD1  TYR  65           HD1      TYR  65   4.283  10.086   3.549
  478    HD2  TYR  65           HD2      TYR  65   3.706   5.817   3.757
  479    HE1  TYR  65           HE1      TYR  65   5.488  10.038   5.695
  480    HE2  TYR  65           HE2      TYR  65   4.970   5.763   5.899
  481    HH   TYR  65           HH       TYR  65   6.077   8.735   7.514
  482    H    HIS  66           H        HIS  66   3.196   8.718  -0.528
  483    HA   HIS  66           HA       HIS  66   0.500   8.770  -1.801
  484   1HB   HIS  66          1HB       HIS  66   2.964  10.385  -2.580
  485   2HB   HIS  66          2HB       HIS  66   1.708   9.999  -3.753
  486    HD1  HIS  66           HD1      HIS  66   2.218  12.104  -0.599
  487    HD2  HIS  66           HD2      HIS  66  -0.853  10.669  -3.053
  488    HE1  HIS  66           HE1      HIS  66   0.013  13.055   0.321
  489    HE2  HIS  66           HE2      HIS  66  -1.820  12.038  -1.157
  490    H    ALA  67           H        ALA  67   0.142   7.543  -3.494
  491    HA   ALA  67           HA       ALA  67   1.763   5.146  -3.874
  492   1HB   ALA  67          1HB       ALA  67  -0.191   4.557  -5.345
  493   2HB   ALA  67          2HB       ALA  67  -0.677   5.034  -3.705
  494   3HB   ALA  67          3HB       ALA  67  -0.859   6.169  -5.066
  495    H    ARG  68           H        ARG  68   3.660   5.513  -4.967
  496    HA   ARG  68           HA       ARG  68   3.748   7.406  -7.208
  497   1HB   ARG  68          1HB       ARG  68   5.561   7.376  -5.654
  498   2HB   ARG  68          2HB       ARG  68   5.810   5.672  -5.931
  499   1HG   ARG  68          1HG       ARG  68   7.576   6.785  -7.000
  500   2HG   ARG  68          2HG       ARG  68   6.551   6.054  -8.223
  501   1HD   ARG  68          1HD       ARG  68   5.374   8.336  -8.463
  502   2HD   ARG  68          2HD       ARG  68   6.520   8.944  -7.272
  503    HE   ARG  68           HE       ARG  68   7.635   7.798  -9.737
  504   1HH1  ARG  68          1HH1      ARG  68   6.937  10.752  -7.815
  505   2HH1  ARG  68          2HH1      ARG  68   7.848  11.757  -8.867
  506   1HH2  ARG  68          1HH2      ARG  68   8.815   9.219 -11.068
  507   2HH2  ARG  68          2HH2      ARG  68   8.895  10.914 -10.674
  508    H    VAL  69           H        VAL  69   3.066   6.789  -9.021
  509    HA   VAL  69           HA       VAL  69   3.079   4.109 -10.074
  510    HB   VAL  69           HB       VAL  69   2.520   5.416 -12.222
  511   1HG1  VAL  69          1HG1      VAL  69   0.168   5.716 -11.521
  512   2HG1  VAL  69          2HG1      VAL  69   0.852   4.223 -10.856
  513   3HG1  VAL  69          3HG1      VAL  69   0.673   5.654  -9.818
  514   1HG2  VAL  69          1HG2      VAL  69   1.651   7.672 -12.039
  515   2HG2  VAL  69          2HG2      VAL  69   2.086   7.747 -10.325
  516   3HG2  VAL  69          3HG2      VAL  69   3.355   7.656 -11.566
  517    H    LEU  70           H        LEU  70   4.533   3.056 -11.067
  518    HA   LEU  70           HA       LEU  70   7.016   4.419 -11.987
  519   1HB   LEU  70          1HB       LEU  70   8.219   2.503 -11.427
  520   2HB   LEU  70          2HB       LEU  70   7.191   2.871 -10.075
  521    HG   LEU  70           HG       LEU  70   5.630   0.983 -10.932
  522   1HD1  LEU  70          1HD1      LEU  70   6.873  -0.865 -12.135
  523   2HD1  LEU  70          2HD1      LEU  70   6.531   0.500 -13.178
  524   3HD1  LEU  70          3HD1      LEU  70   8.165   0.293 -12.511
  525   1HD2  LEU  70          1HD2      LEU  70   6.975  -0.691  -9.745
  526   2HD2  LEU  70          2HD2      LEU  70   8.447   0.278  -9.984
  527   3HD2  LEU  70          3HD2      LEU  70   7.148   0.877  -8.945
  528    H    LYS  71           H        LYS  71   8.001   3.730 -13.913
  529    HA   LYS  71           HA       LYS  71   6.640   1.824 -15.661
  530   1HB   LYS  71          1HB       LYS  71   6.660   4.800 -16.227
  531   2HB   LYS  71          2HB       LYS  71   6.901   3.695 -17.554
  532   1HG   LYS  71          1HG       LYS  71   4.659   2.582 -16.277
  533   2HG   LYS  71          2HG       LYS  71   4.433   4.314 -16.036
  534   1HD   LYS  71          1HD       LYS  71   3.321   3.676 -18.082
  535   2HD   LYS  71          2HD       LYS  71   4.760   4.612 -18.535
  536   1HE   LYS  71          1HE       LYS  71   5.995   2.370 -18.758
  537   2HE   LYS  71          2HE       LYS  71   4.446   1.557 -18.533
  538   1HZ   LYS  71          1HZ       LYS  71   5.236   1.913 -20.854
  539   2HZ   LYS  71          2HZ       LYS  71   3.702   2.487 -20.595
  540   3HZ   LYS  71          3HZ       LYS  71   4.991   3.515 -20.686
  541    H    GLN  72           H        GLN  72   8.311   0.522 -16.077
  542    HA   GLN  72           HA       GLN  72  11.032   1.509 -16.419
  543   1HB   GLN  72          1HB       GLN  72  10.292  -0.689 -15.361
  544   2HB   GLN  72          2HB       GLN  72   9.886  -1.257 -16.987
  545   1HG   GLN  72          1HG       GLN  72  12.321  -0.793 -17.634
  546   2HG   GLN  72          2HG       GLN  72  12.636  -0.449 -15.929
  547   1HE2  GLN  72          1HE2      GLN  72  12.655  -2.920 -18.277
  548   2HE2  GLN  72          2HE2      GLN  72  12.558  -4.262 -17.134
  549    H    GLN  73           H        GLN  73   8.430   0.599 -18.769
  550    HA   GLN  73           HA       GLN  73  10.116   1.576 -20.936
  551   1HB   GLN  73          1HB       GLN  73  10.308  -0.476 -22.168
  552   2HB   GLN  73          2HB       GLN  73  11.043  -0.696 -20.597
  553   1HG   GLN  73          1HG       GLN  73   9.162  -2.007 -19.795
  554   2HG   GLN  73          2HG       GLN  73   8.209  -1.645 -21.235
  555   1HE2  GLN  73          1HE2      GLN  73   8.796  -4.371 -20.361
  556   2HE2  GLN  73          2HE2      GLN  73   9.764  -5.021 -21.686
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1  -6.804 -11.046 -11.645
    2   2H    MET   1          2H        MET   1  -6.546 -11.987 -12.969
    3   3H    MET   1          3H        MET   1  -5.394 -11.833 -11.791
    4    HA   MET   1           HA       MET   1  -8.036 -13.043 -11.340
    5   1HB   MET   1          1HB       MET   1  -6.533 -14.315 -12.948
    6   2HB   MET   1          2HB       MET   1  -5.415 -14.584 -11.617
    7   1HG   MET   1          1HG       MET   1  -8.365 -15.381 -11.644
    8   2HG   MET   1          2HG       MET   1  -7.039 -16.448 -12.106
    9   1HE   MET   1          1HE       MET   1  -9.294 -17.197  -9.958
   10   2HE   MET   1          2HE       MET   1  -7.986 -18.293 -10.470
   11   3HE   MET   1          3HE       MET   1  -8.288 -18.012  -8.741
   12    H    ALA   2           H        ALA   2  -5.168 -14.254  -9.624
   13    HA   ALA   2           HA       ALA   2  -5.148 -12.362  -7.445
   14   1HB   ALA   2          1HB       ALA   2  -2.713 -12.899  -7.471
   15   2HB   ALA   2          2HB       ALA   2  -3.687 -14.374  -7.570
   16   3HB   ALA   2          3HB       ALA   2  -2.899 -13.725  -9.026
   17    H    GLN   3           H        GLN   3  -4.552 -10.142  -7.526
   18    HA   GLN   3           HA       GLN   3  -4.192  -9.026 -10.288
   19   1HB   GLN   3          1HB       GLN   3  -6.612  -9.367  -9.392
   20   2HB   GLN   3          2HB       GLN   3  -6.253  -8.103  -8.242
   21   1HG   GLN   3          1HG       GLN   3  -7.390  -7.145 -10.161
   22   2HG   GLN   3          2HG       GLN   3  -5.723  -6.564 -10.156
   23   1HE2  GLN   3          1HE2      GLN   3  -5.831  -6.133 -12.480
   24   2HE2  GLN   3          2HE2      GLN   3  -5.780  -7.477 -13.617
   25    H    THR   4           H        THR   4  -1.923  -8.809  -9.416
   26    HA   THR   4           HA       THR   4  -1.755  -6.967  -7.117
   27    HB   THR   4           HB       THR   4  -0.613  -9.114  -6.937
   28    HG1  THR   4           HG1      THR   4   1.281  -7.054  -7.141
   29   1HG2  THR   4          1HG2      THR   4   1.273  -8.156  -9.140
   30   2HG2  THR   4          2HG2      THR   4   1.451  -9.606  -8.132
   31   3HG2  THR   4          3HG2      THR   4   0.116  -9.498  -9.290
   32    H    ILE   5           H        ILE   5  -0.907  -5.089  -7.078
   33    HA   ILE   5           HA       ILE   5   0.257  -3.887  -9.554
   34    HB   ILE   5           HB       ILE   5  -0.881  -2.437  -7.119
   35   1HG1  ILE   5          1HG1      ILE   5  -2.500  -1.463  -8.840
   36   2HG1  ILE   5          2HG1      ILE   5  -2.025  -2.747  -9.943
   37   1HG2  ILE   5          1HG2      ILE   5  -0.508  -0.402  -8.490
   38   2HG2  ILE   5          2HG2      ILE   5   1.008  -1.244  -8.215
   39   3HG2  ILE   5          3HG2      ILE   5   0.197  -1.392  -9.785
   40   1HD1  ILE   5          1HD1      ILE   5  -4.200  -3.058  -8.679
   41   2HD1  ILE   5          2HD1      ILE   5  -3.083  -4.410  -8.518
   42   3HD1  ILE   5          3HD1      ILE   5  -3.251  -3.229  -7.192
   43    H    ASN   6           H        ASN   6   2.340  -3.291  -9.474
   44    HA   ASN   6           HA       ASN   6   3.771  -3.152  -6.893
   45   1HB   ASN   6          1HB       ASN   6   5.829  -3.949  -7.974
   46   2HB   ASN   6          2HB       ASN   6   4.580  -5.192  -7.995
   47   1HD2  ASN   6          1HD2      ASN   6   3.353  -5.496 -10.023
   48   2HD2  ASN   6          2HD2      ASN   6   4.109  -5.016 -11.543
   49    H    LEU   7           H        LEU   7   5.055  -1.399  -6.696
   50    HA   LEU   7           HA       LEU   7   5.559   0.647  -8.674
   51   1HB   LEU   7          1HB       LEU   7   3.816   2.074  -8.309
   52   2HB   LEU   7          2HB       LEU   7   2.975   0.581  -8.437
   53    HG   LEU   7           HG       LEU   7   3.581   1.991  -5.807
   54   1HD1  LEU   7          1HD1      LEU   7   1.961   3.155  -7.249
   55   2HD1  LEU   7          2HD1      LEU   7   0.986   1.671  -7.359
   56   3HD1  LEU   7          3HD1      LEU   7   1.190   2.491  -5.795
   57   1HD2  LEU   7          1HD2      LEU   7   1.934  -0.518  -6.322
   58   2HD2  LEU   7          2HD2      LEU   7   3.440  -0.411  -5.391
   59   3HD2  LEU   7          3HD2      LEU   7   1.982   0.390  -4.801
   60    H    GLN   8           H        GLN   8   6.012   2.810  -7.349
   61    HA   GLN   8           HA       GLN   8   7.364   2.151  -4.790
   62   1HB   GLN   8          1HB       GLN   8   8.070   4.091  -6.896
   63   2HB   GLN   8          2HB       GLN   8   8.475   4.441  -5.209
   64   1HG   GLN   8          1HG       GLN   8   9.655   2.290  -5.027
   65   2HG   GLN   8          2HG       GLN   8   9.244   1.888  -6.695
   66   1HE2  GLN   8          1HE2      GLN   8  11.868   2.787  -4.938
   67   2HE2  GLN   8          2HE2      GLN   8  12.571   3.941  -6.068
   68    H    LEU   9           H        LEU   9   7.328   3.743  -3.128
   69    HA   LEU   9           HA       LEU   9   4.543   4.704  -2.768
   70   1HB   LEU   9          1HB       LEU   9   5.518   2.477  -1.805
   71   2HB   LEU   9          2HB       LEU   9   6.323   3.506  -0.631
   72    HG   LEU   9           HG       LEU   9   3.325   3.442  -1.227
   73   1HD1  LEU   9          1HD1      LEU   9   4.441   1.360  -0.118
   74   2HD1  LEU   9          2HD1      LEU   9   4.686   2.404   1.291
   75   3HD1  LEU   9          3HD1      LEU   9   3.045   2.064   0.692
   76   1HD2  LEU   9          1HD2      LEU   9   4.958   4.910   0.890
   77   2HD2  LEU   9          2HD2      LEU   9   3.830   5.596  -0.305
   78   3HD2  LEU   9          3HD2      LEU   9   3.221   4.638   1.052
   79    H    GLU  10           H        GLU  10   4.940   6.730  -3.291
   80    HA   GLU  10           HA       GLU  10   7.343   8.118  -2.983
   81   1HB   GLU  10          1HB       GLU  10   5.380   8.252  -4.651
   82   2HB   GLU  10          2HB       GLU  10   4.628   9.380  -3.557
   83   1HG   GLU  10          1HG       GLU  10   6.367  11.005  -3.845
   84   2HG   GLU  10          2HG       GLU  10   7.464   9.814  -4.565
   85    H    GLY  11           H        GLY  11   8.180   8.859  -1.171
   86   1HA   GLY  11          1HA       GLY  11   8.311  10.719   0.322
   87   2HA   GLY  11          2HA       GLY  11   6.550  10.668   0.555
   88    H    MET  12           H        MET  12   7.215   7.451   0.921
   89    HA   MET  12           HA       MET  12   7.115   7.520   3.742
   90   1HB   MET  12          1HB       MET  12   7.694   5.182   3.768
   91   2HB   MET  12          2HB       MET  12   6.464   5.546   2.577
   92   1HG   MET  12          1HG       MET  12   7.650   4.636   0.937
   93   2HG   MET  12          2HG       MET  12   9.065   5.598   1.273
   94   1HE   MET  12          1HE       MET  12  11.127   4.820   2.425
   95   2HE   MET  12          2HE       MET  12  10.256   4.803   3.969
   96   3HE   MET  12          3HE       MET  12  11.274   3.427   3.507
   97    H    ARG  13           H        ARG  13   8.517   8.158   5.268
   98    HA   ARG  13           HA       ARG  13  11.448   7.790   4.937
   99   1HB   ARG  13          1HB       ARG  13   9.984  10.335   4.405
  100   2HB   ARG  13          2HB       ARG  13  11.374  10.523   5.439
  101   1HG   ARG  13          1HG       ARG  13  12.880  10.209   3.804
  102   2HG   ARG  13          2HG       ARG  13  12.034   8.848   3.106
  103   1HD   ARG  13          1HD       ARG  13  10.335  10.600   2.187
  104   2HD   ARG  13          2HD       ARG  13  11.558  11.801   2.607
  105    HE   ARG  13           HE       ARG  13  12.890  11.038   0.833
  106   1HH1  ARG  13          1HH1      ARG  13  10.478   8.461   1.398
  107   2HH1  ARG  13          2HH1      ARG  13  10.627   7.915  -0.241
  108   1HH2  ARG  13          1HH2      ARG  13  13.254   9.834  -1.125
  109   2HH2  ARG  13          2HH2      ARG  13  12.314   8.393  -1.347
  110    H    CYS  14           H        CYS  14   8.889   7.993   7.134
  111    HA   CYS  14           HA       CYS  14  10.608   7.868   9.427
  112   1HB   CYS  14          1HB       CYS  14  10.551  10.410   8.699
  113   2HB   CYS  14          2HB       CYS  14   8.913  10.396   9.367
  114    HG   CYS  14           HG       CYS  14  11.897   9.838  10.718
  115    H    ALA  15           H        ALA  15   8.900   8.609  11.386
  116    HA   ALA  15           HA       ALA  15   7.100   8.111  12.667
  117   1HB   ALA  15          1HB       ALA  15   4.986   8.703  11.620
  118   2HB   ALA  15          2HB       ALA  15   6.264   9.761  11.004
  119   3HB   ALA  15          3HB       ALA  15   5.652   8.424  10.000
  120    H    ALA  16           H        ALA  16   8.156   5.677  10.895
  121    HA   ALA  16           HA       ALA  16   7.963   3.429  10.852
  122   1HB   ALA  16          1HB       ALA  16   7.634   3.640  13.299
  123   2HB   ALA  16          2HB       ALA  16   5.875   3.743  13.052
  124   3HB   ALA  16          3HB       ALA  16   6.745   2.267  12.609
  125    H    CYS  17           H        CYS  17   4.947   5.155  10.564
  126    HA   CYS  17           HA       CYS  17   3.211   3.123  10.046
  127   1HB   CYS  17          1HB       CYS  17   3.132   6.105   9.411
  128   2HB   CYS  17          2HB       CYS  17   1.744   5.039   9.169
  129    HG   CYS  17           HG       CYS  17   3.469   5.558  11.984
  130    H    ALA  18           H        ALA  18   5.570   3.458   7.834
  131    HA   ALA  18           HA       ALA  18   4.096   3.161   5.339
  132   1HB   ALA  18          1HB       ALA  18   6.489   3.741   5.412
  133   2HB   ALA  18          2HB       ALA  18   6.856   2.185   6.194
  134   3HB   ALA  18          3HB       ALA  18   6.224   2.233   4.528
  135    H    SER  19           H        SER  19   5.331   0.732   7.762
  136    HA   SER  19           HA       SER  19   3.943  -1.465   6.470
  137   1HB   SER  19          1HB       SER  19   5.949  -1.590   8.022
  138   2HB   SER  19          2HB       SER  19   4.841  -1.291   9.368
  139    HG   SER  19           HG       SER  19   4.547  -3.413   7.451
  140    H    SER  20           H        SER  20   2.719   1.117   8.361
  141    HA   SER  20           HA       SER  20   0.365  -0.274   9.422
  142   1HB   SER  20          1HB       SER  20   1.411   1.965  10.203
  143   2HB   SER  20          2HB       SER  20   0.500   2.692   8.866
  144    HG   SER  20           HG       SER  20  -0.447   2.491  11.098
  145    H    ILE  21           H        ILE  21   1.339   0.911   6.301
  146    HA   ILE  21           HA       ILE  21  -1.275   1.046   5.018
  147    HB   ILE  21           HB       ILE  21   1.475   0.422   3.860
  148   1HG1  ILE  21          1HG1      ILE  21   0.055   3.121   4.042
  149   2HG1  ILE  21          2HG1      ILE  21   1.363   2.628   5.092
  150   1HG2  ILE  21          1HG2      ILE  21   0.515   1.141   1.704
  151   2HG2  ILE  21          2HG2      ILE  21  -0.254  -0.294   2.347
  152   3HG2  ILE  21          3HG2      ILE  21  -1.083   1.267   2.465
  153   1HD1  ILE  21          1HD1      ILE  21   2.870   2.407   3.136
  154   2HD1  ILE  21          2HD1      ILE  21   1.565   3.071   2.120
  155   3HD1  ILE  21          3HD1      ILE  21   2.259   4.049   3.413
  156    H    GLU  22           H        GLU  22   1.236  -1.524   5.190
  157    HA   GLU  22           HA       GLU  22  -0.165  -3.611   3.942
  158   1HB   GLU  22          1HB       GLU  22   1.811  -3.781   6.264
  159   2HB   GLU  22          2HB       GLU  22   1.406  -5.095   5.172
  160   1HG   GLU  22          1HG       GLU  22   2.449  -3.987   3.292
  161   2HG   GLU  22          2HG       GLU  22   2.652  -2.495   4.213
  162    H    ARG  23           H        ARG  23   0.014  -2.779   7.435
  163    HA   ARG  23           HA       ARG  23  -1.890  -4.758   8.224
  164   1HB   ARG  23          1HB       ARG  23  -0.069  -3.428   9.601
  165   2HB   ARG  23          2HB       ARG  23  -1.342  -2.225   9.801
  166   1HG   ARG  23          1HG       ARG  23  -1.452  -3.643  11.715
  167   2HG   ARG  23          2HG       ARG  23  -2.822  -4.118  10.709
  168   1HD   ARG  23          1HD       ARG  23  -1.391  -6.027   9.803
  169   2HD   ARG  23          2HD       ARG  23  -0.106  -5.517  10.885
  170    HE   ARG  23           HE       ARG  23  -1.358  -6.211  12.769
  171   1HH1  ARG  23          1HH1      ARG  23  -3.100  -7.060   9.789
  172   2HH1  ARG  23          2HH1      ARG  23  -4.097  -8.224  10.602
  173   1HH2  ARG  23          1HH2      ARG  23  -2.668  -7.739  13.729
  174   2HH2  ARG  23          2HH2      ARG  23  -3.826  -8.631  12.797
  175    H    ALA  24           H        ALA  24  -2.410  -1.452   7.026
  176    HA   ALA  24           HA       ALA  24  -5.180  -1.372   7.889
  177   1HB   ALA  24          1HB       ALA  24  -3.957   0.713   7.483
  178   2HB   ALA  24          2HB       ALA  24  -3.660   0.249   5.797
  179   3HB   ALA  24          3HB       ALA  24  -5.312   0.593   6.341
  180    H    ILE  25           H        ILE  25  -3.511  -2.246   4.844
  181    HA   ILE  25           HA       ILE  25  -5.908  -2.863   3.316
  182    HB   ILE  25           HB       ILE  25  -3.001  -3.697   2.983
  183   1HG1  ILE  25          1HG1      ILE  25  -4.556  -1.619   1.378
  184   2HG1  ILE  25          2HG1      ILE  25  -3.601  -1.194   2.792
  185   1HG2  ILE  25          1HG2      ILE  25  -3.752  -4.232   0.602
  186   2HG2  ILE  25          2HG2      ILE  25  -4.408  -5.315   1.801
  187   3HG2  ILE  25          3HG2      ILE  25  -5.428  -4.022   1.146
  188   1HD1  ILE  25          1HD1      ILE  25  -1.566  -2.151   1.740
  189   2HD1  ILE  25          2HD1      ILE  25  -2.490  -2.462   0.261
  190   3HD1  ILE  25          3HD1      ILE  25  -2.270  -0.800   0.823
  191    H    ALA  26           H        ALA  26  -3.833  -4.787   5.452
  192    HA   ALA  26           HA       ALA  26  -4.686  -7.339   4.944
  193   1HB   ALA  26          1HB       ALA  26  -2.976  -6.692   6.604
  194   2HB   ALA  26          2HB       ALA  26  -4.259  -6.136   7.711
  195   3HB   ALA  26          3HB       ALA  26  -4.133  -7.859   7.270
  196    H    LYS  27           H        LYS  27  -6.955  -4.955   6.051
  197    HA   LYS  27           HA       LYS  27  -8.951  -7.010   6.818
  198   1HB   LYS  27          1HB       LYS  27  -9.099  -3.973   6.757
  199   2HB   LYS  27          2HB       LYS  27 -10.327  -5.071   7.381
  200   1HG   LYS  27          1HG       LYS  27  -9.334  -4.595   9.343
  201   2HG   LYS  27          2HG       LYS  27  -8.392  -6.001   8.910
  202   1HD   LYS  27          1HD       LYS  27  -6.767  -4.580   9.648
  203   2HD   LYS  27          2HD       LYS  27  -6.685  -4.181   7.948
  204   1HE   LYS  27          1HE       LYS  27  -8.240  -2.636  10.077
  205   2HE   LYS  27          2HE       LYS  27  -6.646  -2.198   9.445
  206   1HZ   LYS  27          1HZ       LYS  27  -7.649  -1.963   7.251
  207   2HZ   LYS  27          2HZ       LYS  27  -9.131  -2.324   7.838
  208   3HZ   LYS  27          3HZ       LYS  27  -8.379  -0.943   8.317
  209    H    VAL  28           H        VAL  28  -7.931  -5.664   3.876
  210    HA   VAL  28           HA       VAL  28 -10.593  -5.438   2.614
  211    HB   VAL  28           HB       VAL  28  -7.775  -5.425   1.432
  212   1HG1  VAL  28          1HG1      VAL  28  -8.859  -4.556  -0.632
  213   2HG1  VAL  28          2HG1      VAL  28  -9.372  -6.206  -0.274
  214   3HG1  VAL  28          3HG1      VAL  28 -10.453  -4.838   0.086
  215   1HG2  VAL  28          1HG2      VAL  28  -9.739  -3.132   1.890
  216   2HG2  VAL  28          2HG2      VAL  28  -8.244  -3.411   2.805
  217   3HG2  VAL  28          3HG2      VAL  28  -8.157  -3.006   1.088
  218    HA   PRO  29           HA       PRO  29 -10.735  -9.771   2.621
  219   1HB   PRO  29          1HB       PRO  29 -12.632 -10.354   0.643
  220   2HB   PRO  29          2HB       PRO  29 -12.991  -9.784   2.299
  221   1HG   PRO  29          1HG       PRO  29 -12.764  -8.139  -0.235
  222   2HG   PRO  29          2HG       PRO  29 -14.029  -8.059   1.033
  223   1HD   PRO  29          1HD       PRO  29 -11.994  -6.290   1.011
  224   2HD   PRO  29          2HD       PRO  29 -12.546  -6.989   2.564
  225    H    GLY  30           H        GLY  30 -10.276  -8.291  -0.594
  226   1HA   GLY  30          1HA       GLY  30  -9.191 -10.679  -1.824
  227   2HA   GLY  30          2HA       GLY  30  -9.218  -9.031  -2.483
  228    H    VAL  31           H        VAL  31  -7.698  -9.320   0.579
  229    HA   VAL  31           HA       VAL  31  -5.082  -8.481  -0.408
  230    HB   VAL  31           HB       VAL  31  -5.834  -7.832   1.780
  231   1HG1  VAL  31          1HG1      VAL  31  -6.995  -9.992   2.501
  232   2HG1  VAL  31          2HG1      VAL  31  -5.385 -10.626   2.887
  233   3HG1  VAL  31          3HG1      VAL  31  -5.988  -9.186   3.713
  234   1HG2  VAL  31          1HG2      VAL  31  -3.352  -9.584   1.960
  235   2HG2  VAL  31          2HG2      VAL  31  -3.425  -7.996   1.172
  236   3HG2  VAL  31          3HG2      VAL  31  -3.718  -8.135   2.916
  237    H    GLN  32           H        GLN  32  -4.185  -9.714  -1.728
  238    HA   GLN  32           HA       GLN  32  -3.934 -12.635  -1.711
  239   1HB   GLN  32          1HB       GLN  32  -3.573 -10.438  -3.431
  240   2HB   GLN  32          2HB       GLN  32  -1.940 -11.016  -3.212
  241   1HG   GLN  32          1HG       GLN  32  -4.355 -12.432  -4.395
  242   2HG   GLN  32          2HG       GLN  32  -3.020 -11.773  -5.234
  243   1HE2  GLN  32          1HE2      GLN  32  -1.403 -13.262  -2.581
  244   2HE2  GLN  32          2HE2      GLN  32  -0.848 -14.564  -3.597
  245    H    SER  33           H        SER  33  -2.044  -9.822  -0.803
  246    HA   SER  33           HA       SER  33  -1.184 -10.343   1.588
  247   1HB   SER  33          1HB       SER  33  -0.168 -12.504   1.082
  248   2HB   SER  33          2HB       SER  33   0.999 -11.703   0.000
  249    HG   SER  33           HG       SER  33   1.995 -10.874   1.707
  250    H    CYS  34           H        CYS  34   0.426  -8.821   2.363
  251    HA   CYS  34           HA       CYS  34   0.864  -6.601   0.375
  252   1HB   CYS  34          1HB       CYS  34   0.305  -6.558   3.377
  253   2HB   CYS  34          2HB       CYS  34   0.648  -5.124   2.402
  254    HG   CYS  34           HG       CYS  34  -1.751  -7.276   1.677
  255    H    GLN  35           H        GLN  35   2.852  -6.016   0.010
  256    HA   GLN  35           HA       GLN  35   4.950  -6.330   2.101
  257   1HB   GLN  35          1HB       GLN  35   5.189  -7.115  -0.854
  258   2HB   GLN  35          2HB       GLN  35   6.486  -7.109   0.319
  259   1HG   GLN  35          1HG       GLN  35   5.887  -9.363  -0.044
  260   2HG   GLN  35          2HG       GLN  35   5.337  -8.937   1.575
  261   1HE2  GLN  35          1HE2      GLN  35   3.593  -8.436  -1.673
  262   2HE2  GLN  35          2HE2      GLN  35   2.194  -9.263  -1.061
  263    H    VAL  36           H        VAL  36   5.671  -4.238   2.420
  264    HA   VAL  36           HA       VAL  36   6.608  -2.833  -0.001
  265    HB   VAL  36           HB       VAL  36   5.092  -1.221   0.495
  266   1HG1  VAL  36          1HG1      VAL  36   5.252  -1.825   3.450
  267   2HG1  VAL  36          2HG1      VAL  36   4.274  -0.531   2.725
  268   3HG1  VAL  36          3HG1      VAL  36   3.931  -2.206   2.309
  269   1HG2  VAL  36          1HG2      VAL  36   7.293  -0.386   2.433
  270   2HG2  VAL  36          2HG2      VAL  36   7.217  -0.014   0.705
  271   3HG2  VAL  36          3HG2      VAL  36   6.029   0.664   1.810
  272    H    ASN  37           H        ASN  37   8.571  -1.916   0.074
  273    HA   ASN  37           HA       ASN  37  10.399  -3.031   2.161
  274   1HB   ASN  37          1HB       ASN  37  10.728  -3.741  -0.205
  275   2HB   ASN  37          2HB       ASN  37  10.984  -2.051  -0.658
  276   1HD2  ASN  37          1HD2      ASN  37  12.352  -4.799   1.172
  277   2HD2  ASN  37          2HD2      ASN  37  13.943  -4.073   1.327
  278    H    PHE  38           H        PHE  38  10.698  -1.569   3.744
  279    HA   PHE  38           HA       PHE  38  10.562   1.239   3.426
  280   1HB   PHE  38          1HB       PHE  38  11.810  -0.216   5.774
  281   2HB   PHE  38          2HB       PHE  38  10.960   1.332   5.781
  282    HD1  PHE  38           HD1      PHE  38  10.624  -2.050   6.606
  283    HD2  PHE  38           HD2      PHE  38   8.492   1.113   4.593
  284    HE1  PHE  38           HE1      PHE  38   8.554  -3.388   6.680
  285    HE2  PHE  38           HE2      PHE  38   6.418  -0.218   4.703
  286    HZ   PHE  38           HZ       PHE  38   6.448  -2.499   5.710
  287    H    ALA  39           H        ALA  39  12.730   0.207   1.670
  288    HA   ALA  39           HA       ALA  39  14.752   2.104   2.573
  289   1HB   ALA  39          1HB       ALA  39  16.623   0.508   2.234
  290   2HB   ALA  39          2HB       ALA  39  15.542  -0.033   3.531
  291   3HB   ALA  39          3HB       ALA  39  15.461  -0.800   1.925
  292    H    LEU  40           H        LEU  40  13.635  -0.111  -0.078
  293    HA   LEU  40           HA       LEU  40  14.614   1.845  -2.033
  294   1HB   LEU  40          1HB       LEU  40  15.639  -0.240  -2.327
  295   2HB   LEU  40          2HB       LEU  40  14.220  -1.135  -1.813
  296    HG   LEU  40           HG       LEU  40  13.091  -0.660  -3.830
  297   1HD1  LEU  40          1HD1      LEU  40  14.412   1.423  -4.599
  298   2HD1  LEU  40          2HD1      LEU  40  15.789   0.368  -4.915
  299   3HD1  LEU  40          3HD1      LEU  40  14.294   0.183  -5.857
  300   1HD2  LEU  40          1HD2      LEU  40  14.381  -2.752  -3.512
  301   2HD2  LEU  40          2HD2      LEU  40  14.352  -2.280  -5.221
  302   3HD2  LEU  40          3HD2      LEU  40  15.805  -1.993  -4.240
  303    H    GLU  41           H        GLU  41  11.879   1.384  -0.327
  304    HA   GLU  41           HA       GLU  41   9.899   2.383  -0.416
  305   1HB   GLU  41          1HB       GLU  41  10.911   3.821  -2.907
  306   2HB   GLU  41          2HB       GLU  41   9.568   4.297  -1.871
  307   1HG   GLU  41          1HG       GLU  41  11.150   4.532   0.050
  308   2HG   GLU  41          2HG       GLU  41  12.496   4.200  -1.048
  309    H    GLN  42           H        GLN  42  10.379  -0.099  -2.547
  310    HA   GLN  42           HA       GLN  42   7.999   0.370  -4.153
  311   1HB   GLN  42          1HB       GLN  42   8.206  -1.758  -5.040
  312   2HB   GLN  42          2HB       GLN  42   9.835  -1.163  -4.858
  313   1HG   GLN  42          1HG       GLN  42   9.408  -2.539  -2.418
  314   2HG   GLN  42          2HG       GLN  42   8.374  -3.446  -3.499
  315   1HE2  GLN  42          1HE2      GLN  42  11.662  -2.309  -2.833
  316   2HE2  GLN  42          2HE2      GLN  42  12.451  -3.486  -3.866
  317    H    ALA  43           H        ALA  43   5.987  -0.505  -3.976
  318    HA   ALA  43           HA       ALA  43   5.469  -2.361  -1.709
  319   1HB   ALA  43          1HB       ALA  43   4.055  -0.351  -1.421
  320   2HB   ALA  43          2HB       ALA  43   3.428  -0.549  -3.063
  321   3HB   ALA  43          3HB       ALA  43   3.083  -1.776  -1.823
  322    H    VAL  44           H        VAL  44   4.335  -4.229  -2.244
  323    HA   VAL  44           HA       VAL  44   3.287  -4.441  -4.952
  324    HB   VAL  44           HB       VAL  44   5.372  -5.565  -5.317
  325   1HG1  VAL  44          1HG1      VAL  44   6.129  -7.560  -4.207
  326   2HG1  VAL  44          2HG1      VAL  44   5.938  -6.281  -3.000
  327   3HG1  VAL  44          3HG1      VAL  44   4.724  -7.579  -3.136
  328   1HG2  VAL  44          1HG2      VAL  44   3.164  -7.648  -5.119
  329   2HG2  VAL  44          2HG2      VAL  44   3.306  -6.432  -6.406
  330   3HG2  VAL  44          3HG2      VAL  44   4.564  -7.665  -6.207
  331    H    VAL  45           H        VAL  45   1.252  -4.908  -4.769
  332    HA   VAL  45           HA       VAL  45   0.295  -6.782  -2.661
  333    HB   VAL  45           HB       VAL  45  -1.056  -4.084  -2.880
  334   1HG1  VAL  45          1HG1      VAL  45  -2.062  -4.791  -0.727
  335   2HG1  VAL  45          2HG1      VAL  45  -2.435  -5.903  -2.038
  336   3HG1  VAL  45          3HG1      VAL  45  -1.202  -6.349  -0.852
  337   1HG2  VAL  45          1HG2      VAL  45   1.109  -3.519  -1.970
  338   2HG2  VAL  45          2HG2      VAL  45  -0.107  -3.447  -0.698
  339   3HG2  VAL  45          3HG2      VAL  45   1.001  -4.827  -0.777
  340    H    SER  46           H        SER  46  -1.336  -7.940  -3.353
  341    HA   SER  46           HA       SER  46  -3.228  -6.859  -5.400
  342   1HB   SER  46          1HB       SER  46  -2.574  -8.819  -6.432
  343   2HB   SER  46          2HB       SER  46  -2.330  -9.686  -5.005
  344    HG   SER  46           HG       SER  46  -4.740  -9.588  -4.786
  345    H    TYR  47           H        TYR  47  -5.161  -6.562  -4.696
  346    HA   TYR  47           HA       TYR  47  -6.103  -7.290  -2.025
  347   1HB   TYR  47          1HB       TYR  47  -6.063  -5.021  -1.156
  348   2HB   TYR  47          2HB       TYR  47  -4.550  -5.841  -1.272
  349    HD1  TYR  47           HD1      TYR  47  -5.239  -2.876  -0.805
  350    HD2  TYR  47           HD2      TYR  47  -3.810  -4.984  -4.278
  351    HE1  TYR  47           HE1      TYR  47  -3.871  -0.944  -1.443
  352    HE2  TYR  47           HE2      TYR  47  -2.568  -3.000  -4.984
  353    HH   TYR  47           HH       TYR  47  -2.589   0.021  -3.092
  354    H    HIS  48           H        HIS  48  -7.560  -7.972  -4.054
  355    HA   HIS  48           HA       HIS  48  -9.588  -5.805  -4.505
  356   1HB   HIS  48          1HB       HIS  48  -8.317  -7.528  -6.645
  357   2HB   HIS  48          2HB       HIS  48  -9.548  -6.282  -6.893
  358    HD2  HIS  48           HD2      HIS  48  -5.850  -6.792  -6.365
  359    HE1  HIS  48           HE1      HIS  48  -6.448  -2.556  -5.873
  360    HE2  HIS  48           HE2      HIS  48  -4.693  -4.383  -6.236
  361    H    GLY  49           H        GLY  49 -11.675  -6.257  -4.993
  362   1HA   GLY  49          1HA       GLY  49 -12.682  -9.065  -4.925
  363   2HA   GLY  49          2HA       GLY  49 -13.162  -7.989  -3.625
  364    H    GLU  50           H        GLU  50 -15.295  -8.341  -4.290
  365    HA   GLU  50           HA       GLU  50 -16.430  -8.270  -6.751
  366   1HB   GLU  50          1HB       GLU  50 -17.803  -7.249  -4.225
  367   2HB   GLU  50          2HB       GLU  50 -18.571  -7.881  -5.675
  368   1HG   GLU  50          1HG       GLU  50 -18.712  -9.734  -4.367
  369   2HG   GLU  50          2HG       GLU  50 -17.166 -10.072  -5.140
  370    H    THR  51           H        THR  51 -15.836  -5.380  -4.820
  371    HA   THR  51           HA       THR  51 -15.408  -3.860  -7.196
  372    HB   THR  51           HB       THR  51 -17.839  -3.061  -5.561
  373    HG1  THR  51           HG1      THR  51 -17.698  -4.426  -7.611
  374   1HG2  THR  51          1HG2      THR  51 -16.554  -0.982  -5.846
  375   2HG2  THR  51          2HG2      THR  51 -16.232  -1.384  -7.553
  376   3HG2  THR  51          3HG2      THR  51 -17.881  -1.009  -7.009
  377    H    THR  52           H        THR  52 -13.370  -3.654  -6.386
  378    HA   THR  52           HA       THR  52 -12.995  -2.074  -3.874
  379    HB   THR  52           HB       THR  52 -10.583  -2.879  -4.112
  380    HG1  THR  52           HG1      THR  52 -10.575  -3.697  -6.112
  381   1HG2  THR  52          1HG2      THR  52 -12.769  -4.942  -3.583
  382   2HG2  THR  52          2HG2      THR  52 -11.091  -4.981  -2.980
  383   3HG2  THR  52          3HG2      THR  52 -12.203  -3.728  -2.420
  384    HA   PRO  53           HA       PRO  53 -11.858   0.957  -7.103
  385   1HB   PRO  53          1HB       PRO  53 -13.061   3.162  -6.114
  386   2HB   PRO  53          2HB       PRO  53 -14.023   1.794  -6.727
  387   1HG   PRO  53          1HG       PRO  53 -13.262   2.349  -3.837
  388   2HG   PRO  53          2HG       PRO  53 -14.901   2.057  -4.507
  389   1HD   PRO  53          1HD       PRO  53 -13.357   0.059  -3.416
  390   2HD   PRO  53          2HD       PRO  53 -14.499  -0.229  -4.761
  391    H    GLN  54           H        GLN  54 -11.293   3.633  -5.889
  392    HA   GLN  54           HA       GLN  54  -8.537   3.341  -5.539
  393   1HB   GLN  54          1HB       GLN  54  -9.839   5.252  -6.485
  394   2HB   GLN  54          2HB       GLN  54 -10.241   5.764  -4.840
  395   1HG   GLN  54          1HG       GLN  54  -7.941   6.291  -4.358
  396   2HG   GLN  54          2HG       GLN  54  -7.369   5.369  -5.760
  397   1HE2  GLN  54          1HE2      GLN  54  -6.142   7.497  -6.078
  398   2HE2  GLN  54          2HE2      GLN  54  -7.022   8.701  -7.030
  399    H    ILE  55           H        ILE  55 -10.512   2.314  -3.186
  400    HA   ILE  55           HA       ILE  55  -9.198   3.233  -0.765
  401    HB   ILE  55           HB       ILE  55 -10.615   0.616  -1.376
  402   1HG1  ILE  55          1HG1      ILE  55 -12.183   2.418  -1.713
  403   2HG1  ILE  55          2HG1      ILE  55 -12.564   1.603  -0.213
  404   1HG2  ILE  55          1HG2      ILE  55  -9.800   1.843   1.290
  405   2HG2  ILE  55          2HG2      ILE  55 -10.946   0.495   1.114
  406   3HG2  ILE  55          3HG2      ILE  55  -9.273   0.297   0.600
  407   1HD1  ILE  55          1HD1      ILE  55 -12.830   4.002   0.058
  408   2HD1  ILE  55          2HD1      ILE  55 -11.468   3.477   1.060
  409   3HD1  ILE  55          3HD1      ILE  55 -11.176   4.309  -0.485
  410    H    LEU  56           H        LEU  56  -8.297   1.006  -3.283
  411    HA   LEU  56           HA       LEU  56  -6.060  -0.274  -2.069
  412   1HB   LEU  56          1HB       LEU  56  -5.418  -0.802  -4.317
  413   2HB   LEU  56          2HB       LEU  56  -7.161  -0.820  -4.251
  414    HG   LEU  56           HG       LEU  56  -6.860   1.721  -5.130
  415   1HD1  LEU  56          1HD1      LEU  56  -4.405   0.282  -6.264
  416   2HD1  LEU  56          2HD1      LEU  56  -4.999   1.884  -6.746
  417   3HD1  LEU  56          3HD1      LEU  56  -4.331   1.634  -5.130
  418   1HD2  LEU  56          1HD2      LEU  56  -8.084  -0.131  -6.293
  419   2HD2  LEU  56          2HD2      LEU  56  -7.208   0.941  -7.394
  420   3HD2  LEU  56          3HD2      LEU  56  -6.547  -0.657  -7.005
  421    H    THR  57           H        THR  57  -6.478   2.947  -3.218
  422    HA   THR  57           HA       THR  57  -3.642   3.727  -2.709
  423    HB   THR  57           HB       THR  57  -5.868   5.587  -3.608
  424    HG1  THR  57           HG1      THR  57  -4.336   3.715  -5.023
  425   1HG2  THR  57          1HG2      THR  57  -3.737   6.654  -2.950
  426   2HG2  THR  57          2HG2      THR  57  -2.842   5.577  -4.038
  427   3HG2  THR  57          3HG2      THR  57  -3.982   6.775  -4.695
  428    H    ASP  58           H        ASP  58  -6.926   4.456  -1.461
  429    HA   ASP  58           HA       ASP  58  -6.442   6.474   0.339
  430   1HB   ASP  58          1HB       ASP  58  -8.617   5.347  -0.184
  431   2HB   ASP  58          2HB       ASP  58  -8.134   4.009   0.870
  432    H    ALA  59           H        ALA  59  -5.881   2.999   1.017
  433    HA   ALA  59           HA       ALA  59  -4.894   3.488   3.661
  434   1HB   ALA  59          1HB       ALA  59  -5.887   1.323   2.931
  435   2HB   ALA  59          2HB       ALA  59  -4.521   1.067   1.823
  436   3HB   ALA  59          3HB       ALA  59  -4.253   1.066   3.579
  437    H    VAL  60           H        VAL  60  -3.315   4.106   0.806
  438    HA   VAL  60           HA       VAL  60  -0.553   4.092   1.998
  439    HB   VAL  60           HB       VAL  60  -1.332   5.300  -0.682
  440   1HG1  VAL  60          1HG1      VAL  60   1.254   3.936   0.084
  441   2HG1  VAL  60          2HG1      VAL  60   0.949   5.027  -1.275
  442   3HG1  VAL  60          3HG1      VAL  60   0.988   5.659   0.381
  443   1HG2  VAL  60          1HG2      VAL  60  -0.594   2.374  -0.242
  444   2HG2  VAL  60          2HG2      VAL  60  -2.137   2.985  -0.873
  445   3HG2  VAL  60          3HG2      VAL  60  -0.663   3.197  -1.814
  446    H    GLU  61           H        GLU  61  -3.161   6.262   0.927
  447    HA   GLU  61           HA       GLU  61  -1.844   8.753   1.399
  448   1HB   GLU  61          1HB       GLU  61  -4.805   8.055   1.513
  449   2HB   GLU  61          2HB       GLU  61  -4.165   9.677   1.463
  450   1HG   GLU  61          1HG       GLU  61  -3.725   7.610  -0.743
  451   2HG   GLU  61          2HG       GLU  61  -5.060   8.752  -0.717
  452    H    ARG  62           H        ARG  62  -3.939   6.737   3.520
  453    HA   ARG  62           HA       ARG  62  -4.038   8.317   5.784
  454   1HB   ARG  62          1HB       ARG  62  -4.693   6.403   6.967
  455   2HB   ARG  62          2HB       ARG  62  -5.141   6.080   5.306
  456   1HG   ARG  62          1HG       ARG  62  -4.200   4.062   5.845
  457   2HG   ARG  62          2HG       ARG  62  -2.805   4.894   5.170
  458   1HD   ARG  62          1HD       ARG  62  -2.146   3.621   7.089
  459   2HD   ARG  62          2HD       ARG  62  -1.916   5.290   7.481
  460    HE   ARG  62           HE       ARG  62  -4.064   3.485   8.474
  461   1HH1  ARG  62          1HH1      ARG  62  -2.630   6.753   8.765
  462   2HH1  ARG  62          2HH1      ARG  62  -3.353   6.991  10.313
  463   1HH2  ARG  62          1HH2      ARG  62  -5.004   3.973  10.480
  464   2HH2  ARG  62          2HH2      ARG  62  -4.713   5.523  11.207
  465    H    ALA  63           H        ALA  63  -1.125   6.810   4.607
  466    HA   ALA  63           HA       ALA  63   0.246   7.008   7.244
  467   1HB   ALA  63          1HB       ALA  63   2.041   5.794   6.110
  468   2HB   ALA  63          2HB       ALA  63   0.504   4.950   5.867
  469   3HB   ALA  63          3HB       ALA  63   1.200   5.933   4.556
  470    H    GLY  64           H        GLY  64  -0.403   9.087   4.657
  471   1HA   GLY  64          1HA       GLY  64   0.342  11.304   4.461
  472   2HA   GLY  64          2HA       GLY  64   1.855  10.896   5.324
  473    H    TYR  65           H        TYR  65   1.025   8.476   3.020
  474    HA   TYR  65           HA       TYR  65   3.161   9.573   1.256
  475   1HB   TYR  65          1HB       TYR  65   2.753   6.699   2.080
  476   2HB   TYR  65          2HB       TYR  65   4.123   7.385   1.192
  477    HD1  TYR  65           HD1      TYR  65   3.768   5.788   4.013
  478    HD2  TYR  65           HD2      TYR  65   4.752   9.814   2.839
  479    HE1  TYR  65           HE1      TYR  65   4.983   6.112   6.159
  480    HE2  TYR  65           HE2      TYR  65   5.931  10.159   4.984
  481    HH   TYR  65           HH       TYR  65   6.240   7.609   7.473
  482    H    HIS  66           H        HIS  66   3.281   8.744  -0.920
  483    HA   HIS  66           HA       HIS  66   0.513   8.451  -2.058
  484   1HB   HIS  66          1HB       HIS  66   2.785  10.368  -2.533
  485   2HB   HIS  66          2HB       HIS  66   1.939   9.829  -3.970
  486    HD1  HIS  66           HD1      HIS  66  -0.384  10.877  -4.417
  487    HD2  HIS  66           HD2      HIS  66   0.821  11.086  -0.420
  488    HE1  HIS  66           HE1      HIS  66  -2.285  11.916  -3.114
  489    HE2  HIS  66           HE2      HIS  66  -1.625  11.867  -0.775
  490    H    ALA  67           H        ALA  67   0.531   7.740  -4.441
  491    HA   ALA  67           HA       ALA  67   2.207   5.294  -4.647
  492   1HB   ALA  67          1HB       ALA  67  -0.251   6.339  -6.145
  493   2HB   ALA  67          2HB       ALA  67   0.528   4.789  -6.466
  494   3HB   ALA  67          3HB       ALA  67  -0.212   5.086  -4.881
  495    H    ARG  68           H        ARG  68   4.185   5.610  -5.588
  496    HA   ARG  68           HA       ARG  68   4.583   7.425  -7.896
  497   1HB   ARG  68          1HB       ARG  68   6.378   7.365  -6.370
  498   2HB   ARG  68          2HB       ARG  68   6.344   5.624  -6.331
  499   1HG   ARG  68          1HG       ARG  68   8.300   6.425  -7.444
  500   2HG   ARG  68          2HG       ARG  68   7.356   5.432  -8.487
  501   1HD   ARG  68          1HD       ARG  68   8.359   7.504  -9.565
  502   2HD   ARG  68          2HD       ARG  68   6.694   7.042  -9.942
  503    HE   ARG  68           HE       ARG  68   6.539   8.926  -7.837
  504   1HH1  ARG  68          1HH1      ARG  68   7.224   8.869 -11.293
  505   2HH1  ARG  68          2HH1      ARG  68   6.725  10.524 -11.479
  506   1HH2  ARG  68          1HH2      ARG  68   6.086  11.029  -8.090
  507   2HH2  ARG  68          2HH2      ARG  68   6.117  11.779  -9.659
  508    H    VAL  69           H        VAL  69   3.309   6.617  -9.213
  509    HA   VAL  69           HA       VAL  69   3.413   3.862 -10.257
  510    HB   VAL  69           HB       VAL  69   2.066   6.264 -11.566
  511   1HG1  VAL  69          1HG1      VAL  69   1.817   3.258 -12.100
  512   2HG1  VAL  69          2HG1      VAL  69   0.781   4.511 -12.817
  513   3HG1  VAL  69          3HG1      VAL  69   2.501   4.466 -13.209
  514   1HG2  VAL  69          1HG2      VAL  69  -0.032   5.258 -10.654
  515   2HG2  VAL  69          2HG2      VAL  69   0.937   4.044  -9.790
  516   3HG2  VAL  69          3HG2      VAL  69   1.063   5.764  -9.365
  517    H    LEU  70           H        LEU  70   5.061   3.113 -11.167
  518    HA   LEU  70           HA       LEU  70   6.530   4.714 -13.219
  519   1HB   LEU  70          1HB       LEU  70   8.558   3.866 -12.347
  520   2HB   LEU  70          2HB       LEU  70   7.636   4.456 -10.995
  521    HG   LEU  70           HG       LEU  70   6.883   1.837 -10.874
  522   1HD1  LEU  70          1HD1      LEU  70   8.811   0.376 -11.313
  523   2HD1  LEU  70          2HD1      LEU  70   8.323   1.151 -12.824
  524   3HD1  LEU  70          3HD1      LEU  70   9.745   1.745 -11.947
  525   1HD2  LEU  70          1HD2      LEU  70   7.832   3.117  -9.034
  526   2HD2  LEU  70          2HD2      LEU  70   8.607   1.531  -9.150
  527   3HD2  LEU  70          3HD2      LEU  70   9.460   2.978  -9.735
  528    H    LYS  71           H        LYS  71   7.172   3.702 -15.077
  529    HA   LYS  71           HA       LYS  71   7.287   0.822 -15.299
  530   1HB   LYS  71          1HB       LYS  71   5.305   2.383 -17.021
  531   2HB   LYS  71          2HB       LYS  71   6.124   0.952 -17.618
  532   1HG   LYS  71          1HG       LYS  71   4.350  -0.162 -16.843
  533   2HG   LYS  71          2HG       LYS  71   5.237  -0.126 -15.333
  534   1HD   LYS  71          1HD       LYS  71   3.861   2.126 -14.917
  535   2HD   LYS  71          2HD       LYS  71   2.873   1.556 -16.245
  536   1HE   LYS  71          1HE       LYS  71   1.870   0.924 -14.120
  537   2HE   LYS  71          2HE       LYS  71   2.340  -0.526 -15.015
  538   1HZ   LYS  71          1HZ       LYS  71   2.953  -0.457 -12.551
  539   2HZ   LYS  71          2HZ       LYS  71   4.188  -0.826 -13.569
  540   3HZ   LYS  71          3HZ       LYS  71   4.104   0.668 -12.960
  541    H    GLN  72           H        GLN  72   9.032   0.300 -16.411
  542    HA   GLN  72           HA       GLN  72  10.321   1.945 -18.453
  543   1HB   GLN  72          1HB       GLN  72  10.778   3.067 -16.199
  544   2HB   GLN  72          2HB       GLN  72  11.669   1.620 -15.734
  545   1HG   GLN  72          1HG       GLN  72  13.242   2.017 -17.641
  546   2HG   GLN  72          2HG       GLN  72  12.305   3.438 -18.108
  547   1HE2  GLN  72          1HE2      GLN  72  15.136   3.524 -17.405
  548   2HE2  GLN  72          2HE2      GLN  72  15.196   4.496 -15.931
  549    H    GLN  73           H        GLN  73   9.343  -0.567 -18.817
  550    HA   GLN  73           HA       GLN  73  11.540  -2.381 -19.092
  551   1HB   GLN  73          1HB       GLN  73  11.185  -2.536 -16.624
  552   2HB   GLN  73          2HB       GLN  73   9.473  -2.864 -16.880
  553   1HG   GLN  73          1HG       GLN  73  10.780  -4.883 -16.302
  554   2HG   GLN  73          2HG       GLN  73   9.984  -5.038 -17.863
  555   1HE2  GLN  73          1HE2      GLN  73  13.107  -5.093 -16.243
  556   2HE2  GLN  73          2HE2      GLN  73  14.010  -5.302 -17.746
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1  -4.384 -18.835  -9.193
    2   2H    MET   1          2H        MET   1  -2.863 -18.545  -8.667
    3   3H    MET   1          3H        MET   1  -3.116 -19.121 -10.204
    4    HA   MET   1           HA       MET   1  -2.592 -16.784 -10.285
    5   1HB   MET   1          1HB       MET   1  -4.542 -15.954 -11.503
    6   2HB   MET   1          2HB       MET   1  -4.117 -17.584 -12.005
    7   1HG   MET   1          1HG       MET   1  -6.377 -16.910 -10.073
    8   2HG   MET   1          2HG       MET   1  -6.566 -17.168 -11.804
    9   1HE   MET   1          1HE       MET   1  -8.302 -20.345 -10.355
   10   2HE   MET   1          2HE       MET   1  -8.319 -18.710  -9.661
   11   3HE   MET   1          3HE       MET   1  -8.460 -18.933 -11.422
   12    H    ALA   2           H        ALA   2  -3.347 -14.561  -9.808
   13    HA   ALA   2           HA       ALA   2  -4.993 -13.809  -7.625
   14   1HB   ALA   2          1HB       ALA   2  -3.371 -15.060  -6.233
   15   2HB   ALA   2          2HB       ALA   2  -2.014 -14.224  -7.033
   16   3HB   ALA   2          3HB       ALA   2  -3.145 -13.331  -6.007
   17    H    GLN   3           H        GLN   3  -4.643 -11.438  -7.243
   18    HA   GLN   3           HA       GLN   3  -3.340 -10.082  -9.607
   19   1HB   GLN   3          1HB       GLN   3  -5.432  -9.360  -7.550
   20   2HB   GLN   3          2HB       GLN   3  -4.668  -8.105  -8.526
   21   1HG   GLN   3          1HG       GLN   3  -6.257 -10.438  -9.674
   22   2HG   GLN   3          2HG       GLN   3  -6.923  -8.844  -9.299
   23   1HE2  GLN   3          1HE2      GLN   3  -6.488  -7.074 -10.732
   24   2HE2  GLN   3          2HE2      GLN   3  -5.599  -7.351 -12.238
   25    H    THR   4           H        THR   4  -1.206  -9.344  -9.121
   26    HA   THR   4           HA       THR   4  -0.805  -8.073  -6.468
   27    HB   THR   4           HB       THR   4   0.890  -9.309  -5.744
   28    HG1  THR   4           HG1      THR   4   1.757  -9.077  -8.258
   29   1HG2  THR   4          1HG2      THR   4  -0.808 -11.148  -6.214
   30   2HG2  THR   4          2HG2      THR   4   0.029 -11.445  -7.743
   31   3HG2  THR   4          3HG2      THR   4   0.879 -11.678  -6.206
   32    H    ILE   5           H        ILE   5  -0.185  -6.015  -6.777
   33    HA   ILE   5           HA       ILE   5   1.111  -5.362  -9.416
   34    HB   ILE   5           HB       ILE   5  -0.848  -3.740  -7.768
   35   1HG1  ILE   5          1HG1      ILE   5  -2.226  -3.627  -9.786
   36   2HG1  ILE   5          2HG1      ILE   5  -1.061  -4.578 -10.701
   37   1HG2  ILE   5          1HG2      ILE   5   0.873  -2.210  -8.616
   38   2HG2  ILE   5          2HG2      ILE   5   0.731  -2.907 -10.242
   39   3HG2  ILE   5          3HG2      ILE   5  -0.607  -1.981  -9.528
   40   1HD1  ILE   5          1HD1      ILE   5  -1.683  -6.578  -9.611
   41   2HD1  ILE   5          2HD1      ILE   5  -2.533  -5.711  -8.298
   42   3HD1  ILE   5          3HD1      ILE   5  -3.196  -5.737  -9.946
   43    H    ASN   6           H        ASN   6   3.153  -5.154  -9.033
   44    HA   ASN   6           HA       ASN   6   4.236  -4.125  -6.525
   45   1HB   ASN   6          1HB       ASN   6   6.418  -4.779  -7.699
   46   2HB   ASN   6          2HB       ASN   6   5.273  -6.066  -7.344
   47   1HD2  ASN   6          1HD2      ASN   6   5.673  -3.725 -10.077
   48   2HD2  ASN   6          2HD2      ASN   6   5.660  -4.956 -11.320
   49    H    LEU   7           H        LEU   7   2.996  -2.012  -7.148
   50    HA   LEU   7           HA       LEU   7   4.632  -0.152  -8.796
   51   1HB   LEU   7          1HB       LEU   7   2.996   1.439  -8.529
   52   2HB   LEU   7          2HB       LEU   7   2.114  -0.058  -8.739
   53    HG   LEU   7           HG       LEU   7   2.473   1.567  -6.171
   54   1HD1  LEU   7          1HD1      LEU   7   0.051   0.793  -7.876
   55   2HD1  LEU   7          2HD1      LEU   7  -0.014   1.716  -6.366
   56   3HD1  LEU   7          3HD1      LEU   7   0.806   2.401  -7.782
   57   1HD2  LEU   7          1HD2      LEU   7   1.047  -1.116  -6.468
   58   2HD2  LEU   7          2HD2      LEU   7   2.518  -0.804  -5.517
   59   3HD2  LEU   7          3HD2      LEU   7   0.994  -0.055  -5.045
   60    H    GLN   8           H        GLN   8   5.084   2.034  -7.547
   61    HA   GLN   8           HA       GLN   8   6.452   1.406  -4.992
   62   1HB   GLN   8          1HB       GLN   8   7.020   3.392  -7.195
   63   2HB   GLN   8          2HB       GLN   8   7.683   3.587  -5.560
   64   1HG   GLN   8          1HG       GLN   8   8.932   1.551  -5.725
   65   2HG   GLN   8          2HG       GLN   8   8.070   1.041  -7.179
   66   1HE2  GLN   8          1HE2      GLN   8   9.865   4.170  -6.212
   67   2HE2  GLN   8          2HE2      GLN   8  10.785   4.077  -7.677
   68    H    LEU   9           H        LEU   9   6.567   3.083  -3.438
   69    HA   LEU   9           HA       LEU   9   3.811   4.129  -3.058
   70   1HB   LEU   9          1HB       LEU   9   4.863   2.419  -1.439
   71   2HB   LEU   9          2HB       LEU   9   5.964   3.701  -0.960
   72    HG   LEU   9           HG       LEU   9   3.799   5.104  -0.509
   73   1HD1  LEU   9          1HD1      LEU   9   1.804   3.855   0.048
   74   2HD1  LEU   9          2HD1      LEU   9   2.218   3.513  -1.638
   75   3HD1  LEU   9          3HD1      LEU   9   2.578   2.312  -0.384
   76   1HD2  LEU   9          1HD2      LEU   9   4.351   2.695   1.283
   77   2HD2  LEU   9          2HD2      LEU   9   5.299   4.191   1.281
   78   3HD2  LEU   9          3HD2      LEU   9   3.606   4.246   1.748
   79    H    GLU  10           H        GLU  10   3.546   6.266  -2.259
   80    HA   GLU  10           HA       GLU  10   5.719   8.125  -3.130
   81   1HB   GLU  10          1HB       GLU  10   3.246   7.832  -4.265
   82   2HB   GLU  10          2HB       GLU  10   2.878   9.032  -3.045
   83   1HG   GLU  10          1HG       GLU  10   4.854   9.204  -5.334
   84   2HG   GLU  10          2HG       GLU  10   3.367  10.133  -5.134
   85    H    GLY  11           H        GLY  11   5.959  10.061  -1.911
   86   1HA   GLY  11          1HA       GLY  11   5.817  11.489  -0.132
   87   2HA   GLY  11          2HA       GLY  11   4.466  10.535   0.530
   88    H    MET  12           H        MET  12   6.399   8.142   0.376
   89    HA   MET  12           HA       MET  12   6.997   7.395   2.770
   90   1HB   MET  12          1HB       MET  12   9.258   7.345   0.734
   91   2HB   MET  12          2HB       MET  12   8.983   6.223   2.064
   92   1HG   MET  12          1HG       MET  12   6.744   5.660   0.878
   93   2HG   MET  12          2HG       MET  12   7.395   6.554  -0.493
   94   1HE   MET  12          1HE       MET  12   7.330   3.136   1.362
   95   2HE   MET  12          2HE       MET  12   8.919   2.459   0.990
   96   3HE   MET  12          3HE       MET  12   8.789   3.835   2.110
   97    H    ARG  13           H        ARG  13   7.695   8.261   4.635
   98    HA   ARG  13           HA       ARG  13  10.185   9.898   4.751
   99   1HB   ARG  13          1HB       ARG  13   7.392  10.651   5.654
  100   2HB   ARG  13          2HB       ARG  13   8.794  11.338   6.469
  101   1HG   ARG  13          1HG       ARG  13   9.471  12.604   4.664
  102   2HG   ARG  13          2HG       ARG  13   8.832  11.485   3.481
  103   1HD   ARG  13          1HD       ARG  13   6.485  12.208   4.253
  104   2HD   ARG  13          2HD       ARG  13   7.293  13.576   5.022
  105    HE   ARG  13           HE       ARG  13   7.207  12.850   2.121
  106   1HH1  ARG  13          1HH1      ARG  13   8.049  15.292   4.494
  107   2HH1  ARG  13          2HH1      ARG  13   8.398  16.524   3.310
  108   1HH2  ARG  13          1HH2      ARG  13   7.604  14.468   0.596
  109   2HH2  ARG  13          2HH2      ARG  13   8.071  16.067   1.099
  110    H    CYS  14           H        CYS  14  10.942  10.199   6.978
  111    HA   CYS  14           HA       CYS  14  11.490   7.719   8.124
  112   1HB   CYS  14          1HB       CYS  14  12.087  10.489   9.253
  113   2HB   CYS  14          2HB       CYS  14  12.964   8.993   9.571
  114    HG   CYS  14           HG       CYS  14  14.478  10.370   7.988
  115    H    ALA  15           H        ALA  15   8.841   7.544   8.545
  116    HA   ALA  15           HA       ALA  15   8.680   7.407  11.500
  117   1HB   ALA  15          1HB       ALA  15   6.508   8.607   9.714
  118   2HB   ALA  15          2HB       ALA  15   6.353   8.282  11.453
  119   3HB   ALA  15          3HB       ALA  15   7.514   9.491  10.882
  120    H    ALA  16           H        ALA  16   7.216   5.820  12.260
  121    HA   ALA  16           HA       ALA  16   7.417   3.352  10.944
  122   1HB   ALA  16          1HB       ALA  16   7.329   3.690  13.392
  123   2HB   ALA  16          2HB       ALA  16   5.621   4.184  13.272
  124   3HB   ALA  16          3HB       ALA  16   6.105   2.526  12.863
  125    H    CYS  17           H        CYS  17   5.087   5.700  10.172
  126    HA   CYS  17           HA       CYS  17   2.737   4.405   9.618
  127   1HB   CYS  17          1HB       CYS  17   4.139   6.468   7.851
  128   2HB   CYS  17          2HB       CYS  17   2.407   6.164   7.986
  129    HG   CYS  17           HG       CYS  17   2.836   8.387   9.140
  130    H    ALA  18           H        ALA  18   5.791   3.874   7.874
  131    HA   ALA  18           HA       ALA  18   4.698   3.057   5.359
  132   1HB   ALA  18          1HB       ALA  18   7.033   3.780   5.650
  133   2HB   ALA  18          2HB       ALA  18   7.360   2.400   6.719
  134   3HB   ALA  18          3HB       ALA  18   6.976   2.132   5.009
  135    H    SER  19           H        SER  19   6.154   0.843   7.851
  136    HA   SER  19           HA       SER  19   4.614  -1.384   6.749
  137   1HB   SER  19          1HB       SER  19   6.272  -1.141   9.262
  138   2HB   SER  19          2HB       SER  19   5.376  -2.614   8.816
  139    HG   SER  19           HG       SER  19   6.458  -2.725   6.889
  140    H    SER  20           H        SER  20   3.718   1.105   8.942
  141    HA   SER  20           HA       SER  20   1.413  -0.339   9.996
  142   1HB   SER  20          1HB       SER  20   2.622   2.002  10.722
  143   2HB   SER  20          2HB       SER  20   1.218   2.604   9.826
  144    HG   SER  20           HG       SER  20   1.378   1.042  12.166
  145    H    ILE  21           H        ILE  21   2.073   0.905   6.823
  146    HA   ILE  21           HA       ILE  21  -0.741   0.949   5.943
  147    HB   ILE  21           HB       ILE  21   1.871   0.540   4.429
  148   1HG1  ILE  21          1HG1      ILE  21  -0.118   2.837   4.285
  149   2HG1  ILE  21          2HG1      ILE  21   1.201   2.847   5.440
  150   1HG2  ILE  21          1HG2      ILE  21   0.112  -0.702   3.264
  151   2HG2  ILE  21          2HG2      ILE  21  -0.943   0.729   3.300
  152   3HG2  ILE  21          3HG2      ILE  21   0.561   0.712   2.355
  153   1HD1  ILE  21          1HD1      ILE  21   1.729   2.550   2.465
  154   2HD1  ILE  21          2HD1      ILE  21   1.623   4.097   3.300
  155   3HD1  ILE  21          3HD1      ILE  21   2.871   2.910   3.767
  156    H    GLU  22           H        GLU  22   1.889  -1.505   5.710
  157    HA   GLU  22           HA       GLU  22   0.390  -3.648   4.742
  158   1HB   GLU  22          1HB       GLU  22   2.663  -3.762   6.777
  159   2HB   GLU  22          2HB       GLU  22   2.113  -5.099   5.770
  160   1HG   GLU  22          1HG       GLU  22   2.834  -3.981   3.752
  161   2HG   GLU  22          2HG       GLU  22   3.209  -2.491   4.625
  162    H    ARG  23           H        ARG  23   1.025  -2.790   8.142
  163    HA   ARG  23           HA       ARG  23  -0.674  -4.724   9.296
  164   1HB   ARG  23          1HB       ARG  23   1.229  -3.203  10.312
  165   2HB   ARG  23          2HB       ARG  23  -0.069  -2.044  10.594
  166   1HG   ARG  23          1HG       ARG  23   0.284  -3.341  12.598
  167   2HG   ARG  23          2HG       ARG  23  -1.287  -3.807  11.919
  168   1HD   ARG  23          1HD       ARG  23  -0.326  -5.859  10.988
  169   2HD   ARG  23          2HD       ARG  23   1.317  -5.332  11.394
  170    HE   ARG  23           HE       ARG  23   0.048  -5.367  13.822
  171   1HH1  ARG  23          1HH1      ARG  23   0.541  -7.833  11.329
  172   2HH1  ARG  23          2HH1      ARG  23   0.498  -9.136  12.476
  173   1HH2  ARG  23          1HH2      ARG  23   0.012  -7.111  15.260
  174   2HH2  ARG  23          2HH2      ARG  23   0.200  -8.726  14.665
  175    H    ALA  24           H        ALA  24  -1.632  -1.720   7.781
  176    HA   ALA  24           HA       ALA  24  -4.290  -1.792   9.090
  177   1HB   ALA  24          1HB       ALA  24  -4.721   0.253   7.759
  178   2HB   ALA  24          2HB       ALA  24  -3.262   0.417   8.759
  179   3HB   ALA  24          3HB       ALA  24  -3.124   0.114   7.010
  180    H    ILE  25           H        ILE  25  -2.752  -2.362   5.931
  181    HA   ILE  25           HA       ILE  25  -5.134  -2.832   4.393
  182    HB   ILE  25           HB       ILE  25  -2.164  -3.298   3.983
  183   1HG1  ILE  25          1HG1      ILE  25  -4.326  -1.547   2.764
  184   2HG1  ILE  25          2HG1      ILE  25  -2.984  -1.026   3.796
  185   1HG2  ILE  25          1HG2      ILE  25  -2.611  -4.038   1.664
  186   2HG2  ILE  25          2HG2      ILE  25  -3.184  -5.190   2.840
  187   3HG2  ILE  25          3HG2      ILE  25  -4.352  -4.122   2.022
  188   1HD1  ILE  25          1HD1      ILE  25  -1.436  -1.750   1.881
  189   2HD1  ILE  25          2HD1      ILE  25  -2.914  -1.889   0.898
  190   3HD1  ILE  25          3HD1      ILE  25  -2.468  -0.328   1.590
  191    H    ALA  26           H        ALA  26  -3.128  -4.962   6.336
  192    HA   ALA  26           HA       ALA  26  -4.268  -7.449   5.709
  193   1HB   ALA  26          1HB       ALA  26  -3.537  -6.293   8.444
  194   2HB   ALA  26          2HB       ALA  26  -3.758  -8.024   8.084
  195   3HB   ALA  26          3HB       ALA  26  -2.439  -7.118   7.314
  196    H    LYS  27           H        LYS  27  -6.108  -4.785   7.257
  197    HA   LYS  27           HA       LYS  27  -8.403  -6.625   7.601
  198   1HB   LYS  27          1HB       LYS  27  -7.902  -3.721   8.371
  199   2HB   LYS  27          2HB       LYS  27  -9.414  -4.587   8.618
  200   1HG   LYS  27          1HG       LYS  27  -8.458  -4.866  10.625
  201   2HG   LYS  27          2HG       LYS  27  -8.061  -6.389   9.867
  202   1HD   LYS  27          1HD       LYS  27  -6.218  -5.606  11.205
  203   2HD   LYS  27          2HD       LYS  27  -5.715  -5.553   9.538
  204   1HE   LYS  27          1HE       LYS  27  -4.966  -3.553  10.725
  205   2HE   LYS  27          2HE       LYS  27  -6.085  -3.137   9.421
  206   1HZ   LYS  27          1HZ       LYS  27  -6.852  -3.343  12.281
  207   2HZ   LYS  27          2HZ       LYS  27  -6.563  -1.933  11.478
  208   3HZ   LYS  27          3HZ       LYS  27  -7.830  -2.886  11.042
  209    H    VAL  28           H        VAL  28  -7.231  -5.067   4.915
  210    HA   VAL  28           HA       VAL  28  -9.656  -3.621   4.119
  211    HB   VAL  28           HB       VAL  28  -7.007  -4.139   2.753
  212   1HG1  VAL  28          1HG1      VAL  28  -7.792  -2.777   0.807
  213   2HG1  VAL  28          2HG1      VAL  28  -8.473  -4.402   0.882
  214   3HG1  VAL  28          3HG1      VAL  28  -9.459  -3.013   1.372
  215   1HG2  VAL  28          1HG2      VAL  28  -8.525  -1.587   3.431
  216   2HG2  VAL  28          2HG2      VAL  28  -7.241  -2.289   4.419
  217   3HG2  VAL  28          3HG2      VAL  28  -6.872  -1.697   2.788
  218    HA   PRO  29           HA       PRO  29 -11.655  -7.268   2.838
  219   1HB   PRO  29          1HB       PRO  29 -13.615  -6.255   1.121
  220   2HB   PRO  29          2HB       PRO  29 -13.706  -6.246   2.911
  221   1HG   PRO  29          1HG       PRO  29 -12.749  -4.025   1.079
  222   2HG   PRO  29          2HG       PRO  29 -13.890  -3.909   2.460
  223   1HD   PRO  29          1HD       PRO  29 -11.295  -3.256   2.768
  224   2HD   PRO  29          2HD       PRO  29 -12.127  -4.187   4.044
  225    H    GLY  30           H        GLY  30 -11.103  -8.752   1.298
  226   1HA   GLY  30          1HA       GLY  30 -10.389  -9.635  -0.714
  227   2HA   GLY  30          2HA       GLY  30 -10.656  -8.052  -1.470
  228    H    VAL  31           H        VAL  31  -8.505  -7.618   1.134
  229    HA   VAL  31           HA       VAL  31  -5.981  -7.588  -0.342
  230    HB   VAL  31           HB       VAL  31  -6.310  -6.547   1.905
  231   1HG1  VAL  31          1HG1      VAL  31  -5.906  -9.305   3.140
  232   2HG1  VAL  31          2HG1      VAL  31  -6.203  -7.769   3.958
  233   3HG1  VAL  31          3HG1      VAL  31  -7.498  -8.539   3.029
  234   1HG2  VAL  31          1HG2      VAL  31  -4.072  -6.918   0.983
  235   2HG2  VAL  31          2HG2      VAL  31  -4.051  -7.199   2.741
  236   3HG2  VAL  31          3HG2      VAL  31  -4.039  -8.570   1.638
  237    H    GLN  32           H        GLN  32  -4.819  -9.310  -1.027
  238    HA   GLN  32           HA       GLN  32  -5.482 -12.069  -0.035
  239   1HB   GLN  32          1HB       GLN  32  -3.552 -11.703  -2.214
  240   2HB   GLN  32          2HB       GLN  32  -4.727 -12.965  -1.996
  241   1HG   GLN  32          1HG       GLN  32  -6.511 -11.638  -3.046
  242   2HG   GLN  32          2HG       GLN  32  -5.566 -10.190  -2.932
  243   1HE2  GLN  32          1HE2      GLN  32  -3.073 -10.864  -3.778
  244   2HE2  GLN  32          2HE2      GLN  32  -3.248 -10.872  -5.499
  245    H    SER  33           H        SER  33  -2.898  -9.680  -0.460
  246    HA   SER  33           HA       SER  33  -1.477 -10.274   1.905
  247   1HB   SER  33          1HB       SER  33  -0.685 -12.325   0.915
  248   2HB   SER  33          2HB       SER  33  -0.310 -11.513  -0.615
  249    HG   SER  33           HG       SER  33   1.485 -11.924   0.908
  250    H    CYS  34           H        CYS  34   0.297  -8.701   2.152
  251    HA   CYS  34           HA       CYS  34   0.792  -6.811  -0.081
  252   1HB   CYS  34          1HB       CYS  34   0.427  -4.909   1.512
  253   2HB   CYS  34          2HB       CYS  34  -1.058  -5.813   1.160
  254    HG   CYS  34           HG       CYS  34  -1.046  -5.075   3.729
  255    H    GLN  35           H        GLN  35   2.849  -6.088  -0.164
  256    HA   GLN  35           HA       GLN  35   4.592  -6.448   2.200
  257   1HB   GLN  35          1HB       GLN  35   5.633  -7.356  -0.501
  258   2HB   GLN  35          2HB       GLN  35   6.302  -7.600   1.090
  259   1HG   GLN  35          1HG       GLN  35   5.592  -9.710   0.750
  260   2HG   GLN  35          2HG       GLN  35   4.078  -9.137   1.393
  261   1HE2  GLN  35          1HE2      GLN  35   2.181  -9.466  -0.115
  262   2HE2  GLN  35          2HE2      GLN  35   2.515  -9.864  -1.795
  263    H    VAL  36           H        VAL  36   5.758  -4.613   2.489
  264    HA   VAL  36           HA       VAL  36   6.285  -2.806   0.163
  265    HB   VAL  36           HB       VAL  36   6.046  -2.133   3.129
  266   1HG1  VAL  36          1HG1      VAL  36   6.461  -0.274   0.750
  267   2HG1  VAL  36          2HG1      VAL  36   6.143   0.232   2.419
  268   3HG1  VAL  36          3HG1      VAL  36   7.642  -0.611   2.036
  269   1HG2  VAL  36          1HG2      VAL  36   3.825  -2.611   2.090
  270   2HG2  VAL  36          2HG2      VAL  36   4.001  -0.907   2.529
  271   3HG2  VAL  36          3HG2      VAL  36   4.173  -1.416   0.838
  272    H    ASN  37           H        ASN  37   8.370  -2.301  -0.281
  273    HA   ASN  37           HA       ASN  37  10.500  -3.230   1.640
  274   1HB   ASN  37          1HB       ASN  37  10.635  -4.257  -0.648
  275   2HB   ASN  37          2HB       ASN  37  10.857  -2.633  -1.299
  276   1HD2  ASN  37          1HD2      ASN  37  12.429  -5.229   0.559
  277   2HD2  ASN  37          2HD2      ASN  37  13.995  -4.429   0.592
  278    H    PHE  38           H        PHE  38  10.673  -1.528   3.004
  279    HA   PHE  38           HA       PHE  38  10.681   1.206   2.080
  280   1HB   PHE  38          1HB       PHE  38   9.746   0.314   4.261
  281   2HB   PHE  38          2HB       PHE  38  11.402   0.162   4.831
  282    HD1  PHE  38           HD1      PHE  38  10.108   1.534   6.656
  283    HD2  PHE  38           HD2      PHE  38  11.227   3.162   2.814
  284    HE1  PHE  38           HE1      PHE  38   9.923   3.842   7.560
  285    HE2  PHE  38           HE2      PHE  38  11.021   5.431   3.712
  286    HZ   PHE  38           HZ       PHE  38  10.391   5.789   6.088
  287    H    ALA  39           H        ALA  39  12.575   0.115   0.604
  288    HA   ALA  39           HA       ALA  39  14.844   1.850   1.224
  289   1HB   ALA  39          1HB       ALA  39  15.303  -1.137   0.753
  290   2HB   ALA  39          2HB       ALA  39  16.557   0.116   0.867
  291   3HB   ALA  39          3HB       ALA  39  15.568  -0.270   2.286
  292    H    LEU  40           H        LEU  40  13.310  -0.473  -1.110
  293    HA   LEU  40           HA       LEU  40  14.182   1.248  -3.345
  294   1HB   LEU  40          1HB       LEU  40  15.218  -0.859  -3.368
  295   2HB   LEU  40          2HB       LEU  40  13.811  -1.692  -2.733
  296    HG   LEU  40           HG       LEU  40  12.672  -1.540  -4.746
  297   1HD1  LEU  40          1HD1      LEU  40  13.715   0.535  -5.790
  298   2HD1  LEU  40          2HD1      LEU  40  15.229  -0.361  -5.990
  299   3HD1  LEU  40          3HD1      LEU  40  13.781  -0.841  -6.899
  300   1HD2  LEU  40          1HD2      LEU  40  15.464  -2.706  -5.097
  301   2HD2  LEU  40          2HD2      LEU  40  14.095  -3.487  -4.279
  302   3HD2  LEU  40          3HD2      LEU  40  14.025  -3.185  -6.023
  303    H    GLU  41           H        GLU  41  11.839   1.595  -1.482
  304    HA   GLU  41           HA       GLU  41   9.793   2.473  -1.519
  305   1HB   GLU  41          1HB       GLU  41  10.396   2.916  -4.457
  306   2HB   GLU  41          2HB       GLU  41   9.114   3.706  -3.542
  307   1HG   GLU  41          1HG       GLU  41  10.859   4.735  -2.059
  308   2HG   GLU  41          2HG       GLU  41  12.091   4.098  -3.162
  309    H    GLN  42           H        GLN  42   9.970  -0.420  -3.407
  310    HA   GLN  42           HA       GLN  42   7.368  -0.282  -4.532
  311   1HB   GLN  42          1HB       GLN  42   7.538  -2.487  -5.178
  312   2HB   GLN  42          2HB       GLN  42   9.154  -1.820  -5.256
  313   1HG   GLN  42          1HG       GLN  42   9.013  -2.894  -2.638
  314   2HG   GLN  42          2HG       GLN  42   7.987  -3.996  -3.547
  315   1HE2  GLN  42          1HE2      GLN  42  11.269  -2.554  -3.374
  316   2HE2  GLN  42          2HE2      GLN  42  12.009  -3.912  -4.231
  317    H    ALA  43           H        ALA  43   5.397  -1.145  -4.058
  318    HA   ALA  43           HA       ALA  43   4.876  -2.258  -1.348
  319   1HB   ALA  43          1HB       ALA  43   2.959  -0.672  -1.090
  320   2HB   ALA  43          2HB       ALA  43   4.530   0.157  -1.140
  321   3HB   ALA  43          3HB       ALA  43   3.468   0.162  -2.573
  322    H    VAL  44           H        VAL  44   4.505  -4.305  -2.229
  323    HA   VAL  44           HA       VAL  44   2.672  -4.433  -4.530
  324    HB   VAL  44           HB       VAL  44   4.562  -5.688  -5.010
  325   1HG1  VAL  44          1HG1      VAL  44   4.283  -7.199  -2.412
  326   2HG1  VAL  44          2HG1      VAL  44   5.393  -7.604  -3.733
  327   3HG1  VAL  44          3HG1      VAL  44   5.576  -6.074  -2.868
  328   1HG2  VAL  44          1HG2      VAL  44   3.647  -7.848  -5.531
  329   2HG2  VAL  44          2HG2      VAL  44   2.414  -7.711  -4.266
  330   3HG2  VAL  44          3HG2      VAL  44   2.363  -6.638  -5.681
  331    H    VAL  45           H        VAL  45   1.000  -3.680  -3.372
  332    HA   VAL  45           HA       VAL  45  -0.253  -5.583  -1.485
  333    HB   VAL  45           HB       VAL  45  -1.750  -3.443  -3.017
  334   1HG1  VAL  45          1HG1      VAL  45  -3.225  -5.160  -2.052
  335   2HG1  VAL  45          2HG1      VAL  45  -2.415  -5.033  -0.486
  336   3HG1  VAL  45          3HG1      VAL  45  -3.388  -3.681  -1.100
  337   1HG2  VAL  45          1HG2      VAL  45   0.005  -2.359  -1.668
  338   2HG2  VAL  45          2HG2      VAL  45  -1.592  -2.038  -1.002
  339   3HG2  VAL  45          3HG2      VAL  45  -0.539  -3.250  -0.228
  340    H    SER  46           H        SER  46  -1.532  -7.204  -2.016
  341    HA   SER  46           HA       SER  46  -2.192  -7.652  -4.884
  342   1HB   SER  46          1HB       SER  46  -1.452  -9.864  -4.721
  343   2HB   SER  46          2HB       SER  46  -0.235  -8.990  -3.830
  344    HG   SER  46           HG       SER  46  -1.368  -9.508  -1.917
  345    H    TYR  47           H        TYR  47  -4.330  -7.952  -5.271
  346    HA   TYR  47           HA       TYR  47  -6.250  -8.025  -3.057
  347   1HB   TYR  47          1HB       TYR  47  -6.838  -5.681  -3.228
  348   2HB   TYR  47          2HB       TYR  47  -5.166  -5.852  -2.777
  349    HD1  TYR  47           HD1      TYR  47  -7.491  -4.559  -5.263
  350    HD2  TYR  47           HD2      TYR  47  -3.356  -5.399  -4.490
  351    HE1  TYR  47           HE1      TYR  47  -6.856  -3.151  -7.199
  352    HE2  TYR  47           HE2      TYR  47  -2.685  -3.953  -6.392
  353    HH   TYR  47           HH       TYR  47  -5.115  -2.258  -8.412
  354    H    HIS  48           H        HIS  48  -8.406  -7.528  -3.635
  355    HA   HIS  48           HA       HIS  48  -9.672  -8.634  -5.746
  356   1HB   HIS  48          1HB       HIS  48 -11.576  -7.172  -5.160
  357   2HB   HIS  48          2HB       HIS  48 -10.786  -7.901  -3.765
  358    HD2  HIS  48           HD2      HIS  48  -9.312  -6.326  -2.202
  359    HE1  HIS  48           HE1      HIS  48  -9.818  -2.699  -4.325
  360    HE2  HIS  48           HE2      HIS  48  -8.900  -3.742  -2.164
  361    H    GLY  49           H        GLY  49 -10.810  -8.056  -7.547
  362   1HA   GLY  49          1HA       GLY  49  -9.437  -6.063  -9.309
  363   2HA   GLY  49          2HA       GLY  49 -10.304  -7.527  -9.833
  364    H    GLU  50           H        GLU  50 -11.944  -5.603  -7.449
  365    HA   GLU  50           HA       GLU  50 -14.177  -5.485  -9.276
  366   1HB   GLU  50          1HB       GLU  50 -13.827  -4.855  -6.333
  367   2HB   GLU  50          2HB       GLU  50 -15.386  -4.736  -7.174
  368   1HG   GLU  50          1HG       GLU  50 -15.392  -7.066  -7.752
  369   2HG   GLU  50          2HG       GLU  50 -13.722  -7.288  -7.226
  370    H    THR  51           H        THR  51 -12.470  -3.841 -10.417
  371    HA   THR  51           HA       THR  51 -12.444  -1.916 -11.620
  372    HB   THR  51           HB       THR  51 -14.900  -0.933 -10.123
  373    HG1  THR  51           HG1      THR  51 -15.514  -2.815 -10.906
  374   1HG2  THR  51          1HG2      THR  51 -13.825   0.746 -11.585
  375   2HG2  THR  51          2HG2      THR  51 -13.816  -0.418 -12.930
  376   3HG2  THR  51          3HG2      THR  51 -15.354   0.189 -12.283
  377    H    THR  52           H        THR  52 -13.243  -1.123  -8.211
  378    HA   THR  52           HA       THR  52 -11.516   1.277  -8.450
  379    HB   THR  52           HB       THR  52 -13.697   1.778  -7.770
  380    HG1  THR  52           HG1      THR  52 -13.094   2.881  -5.890
  381   1HG2  THR  52          1HG2      THR  52 -13.352   0.140  -5.223
  382   2HG2  THR  52          2HG2      THR  52 -14.730   1.143  -5.696
  383   3HG2  THR  52          3HG2      THR  52 -14.374  -0.341  -6.591
  384    HA   PRO  53           HA       PRO  53  -8.584  -0.927  -5.762
  385   1HB   PRO  53          1HB       PRO  53  -6.348   0.517  -6.279
  386   2HB   PRO  53          2HB       PRO  53  -7.044  -0.586  -7.502
  387   1HG   PRO  53          1HG       PRO  53  -7.470   2.415  -7.259
  388   2HG   PRO  53          2HG       PRO  53  -6.969   1.488  -8.712
  389   1HD   PRO  53          1HD       PRO  53  -9.577   2.184  -8.211
  390   2HD   PRO  53          2HD       PRO  53  -9.143   0.664  -9.051
  391    H    GLN  54           H        GLN  54 -10.430   1.702  -5.210
  392    HA   GLN  54           HA       GLN  54  -8.706   3.472  -3.875
  393   1HB   GLN  54          1HB       GLN  54 -10.525   4.787  -3.375
  394   2HB   GLN  54          2HB       GLN  54 -10.895   4.022  -4.914
  395   1HG   GLN  54          1HG       GLN  54 -12.287   2.310  -3.575
  396   2HG   GLN  54          2HG       GLN  54 -12.029   3.338  -2.154
  397   1HE2  GLN  54          1HE2      GLN  54 -12.880   5.627  -2.260
  398   2HE2  GLN  54          2HE2      GLN  54 -14.166   5.946  -3.423
  399    H    ILE  55           H        ILE  55 -10.002   0.527  -2.473
  400    HA   ILE  55           HA       ILE  55 -10.013   1.624   0.250
  401    HB   ILE  55           HB       ILE  55 -10.229  -1.261  -0.640
  402   1HG1  ILE  55          1HG1      ILE  55 -12.820  -0.707  -0.243
  403   2HG1  ILE  55          2HG1      ILE  55 -12.341   0.897  -0.781
  404   1HG2  ILE  55          1HG2      ILE  55 -11.524  -1.458   1.485
  405   2HG2  ILE  55          2HG2      ILE  55  -9.929  -0.771   1.818
  406   3HG2  ILE  55          3HG2      ILE  55 -11.346   0.286   1.768
  407   1HD1  ILE  55          1HD1      ILE  55 -11.584  -0.105  -2.958
  408   2HD1  ILE  55          2HD1      ILE  55 -11.935  -1.724  -2.319
  409   3HD1  ILE  55          3HD1      ILE  55 -13.246  -0.565  -2.588
  410    H    LEU  56           H        LEU  56  -7.790  -0.246  -1.746
  411    HA   LEU  56           HA       LEU  56  -5.747  -0.205   0.401
  412   1HB   LEU  56          1HB       LEU  56  -4.228  -1.162  -1.153
  413   2HB   LEU  56          2HB       LEU  56  -5.667  -2.153  -1.047
  414    HG   LEU  56           HG       LEU  56  -5.434  -0.121  -3.287
  415   1HD1  LEU  56          1HD1      LEU  56  -3.274  -1.286  -3.280
  416   2HD1  LEU  56          2HD1      LEU  56  -4.119  -2.850  -3.311
  417   3HD1  LEU  56          3HD1      LEU  56  -4.254  -1.724  -4.684
  418   1HD2  LEU  56          1HD2      LEU  56  -6.648  -2.925  -3.125
  419   2HD2  LEU  56          2HD2      LEU  56  -7.572  -1.419  -3.033
  420   3HD2  LEU  56          3HD2      LEU  56  -6.729  -1.828  -4.522
  421    H    THR  57           H        THR  57  -7.081   2.026  -1.774
  422    HA   THR  57           HA       THR  57  -4.639   3.717  -1.813
  423    HB   THR  57           HB       THR  57  -7.441   4.613  -2.518
  424    HG1  THR  57           HG1      THR  57  -6.363   2.825  -3.759
  425   1HG2  THR  57          1HG2      THR  57  -4.674   5.743  -3.107
  426   2HG2  THR  57          2HG2      THR  57  -6.206   6.351  -3.777
  427   3HG2  THR  57          3HG2      THR  57  -5.902   6.456  -2.039
  428    H    ASP  58           H        ASP  58  -7.910   3.960  -0.272
  429    HA   ASP  58           HA       ASP  58  -7.534   5.815   1.702
  430   1HB   ASP  58          1HB       ASP  58  -9.603   4.619   1.273
  431   2HB   ASP  58          2HB       ASP  58  -8.895   3.098   1.802
  432    H    ALA  59           H        ALA  59  -6.610   2.347   2.096
  433    HA   ALA  59           HA       ALA  59  -5.273   2.866   4.523
  434   1HB   ALA  59          1HB       ALA  59  -6.321   0.731   3.848
  435   2HB   ALA  59          2HB       ALA  59  -5.057   0.514   2.622
  436   3HB   ALA  59          3HB       ALA  59  -4.640   0.485   4.364
  437    H    VAL  60           H        VAL  60  -4.013   3.807   1.588
  438    HA   VAL  60           HA       VAL  60  -1.311   4.035   2.860
  439    HB   VAL  60           HB       VAL  60  -0.455   5.000   0.868
  440   1HG1  VAL  60          1HG1      VAL  60  -0.306   2.872  -0.464
  441   2HG1  VAL  60          2HG1      VAL  60  -0.186   2.585   1.279
  442   3HG1  VAL  60          3HG1      VAL  60  -1.696   2.237   0.426
  443   1HG2  VAL  60          1HG2      VAL  60  -2.503   5.837  -0.296
  444   2HG2  VAL  60          2HG2      VAL  60  -1.345   4.966  -1.304
  445   3HG2  VAL  60          3HG2      VAL  60  -2.810   4.146  -0.781
  446    H    GLU  61           H        GLU  61  -4.069   5.855   1.712
  447    HA   GLU  61           HA       GLU  61  -3.161   8.551   2.100
  448   1HB   GLU  61          1HB       GLU  61  -5.934   7.441   2.686
  449   2HB   GLU  61          2HB       GLU  61  -5.545   9.127   2.513
  450   1HG   GLU  61          1HG       GLU  61  -5.090   7.148   0.250
  451   2HG   GLU  61          2HG       GLU  61  -6.674   7.861   0.555
  452    H    ARG  62           H        ARG  62  -4.783   6.317   4.274
  453    HA   ARG  62           HA       ARG  62  -4.670   6.980   6.843
  454   1HB   ARG  62          1HB       ARG  62  -5.243   4.833   6.013
  455   2HB   ARG  62          2HB       ARG  62  -3.657   4.580   5.304
  456   1HG   ARG  62          1HG       ARG  62  -4.054   4.672   8.286
  457   2HG   ARG  62          2HG       ARG  62  -4.348   3.215   7.357
  458   1HD   ARG  62          1HD       ARG  62  -2.063   3.050   6.594
  459   2HD   ARG  62          2HD       ARG  62  -1.605   4.581   7.307
  460    HE   ARG  62           HE       ARG  62  -1.587   2.102   8.608
  461   1HH1  ARG  62          1HH1      ARG  62  -2.415   5.502   9.296
  462   2HH1  ARG  62          2HH1      ARG  62  -2.256   5.278  11.012
  463   1HH2  ARG  62          1HH2      ARG  62  -1.069   2.032  10.782
  464   2HH2  ARG  62          2HH2      ARG  62  -1.524   3.327  11.839
  465    H    ALA  63           H        ALA  63  -1.673   6.868   4.952
  466    HA   ALA  63           HA       ALA  63  -0.024   6.892   7.462
  467   1HB   ALA  63          1HB       ALA  63   0.326   4.913   6.070
  468   2HB   ALA  63          2HB       ALA  63   0.594   5.924   4.635
  469   3HB   ALA  63          3HB       ALA  63   1.755   5.954   5.956
  470    H    GLY  64           H        GLY  64  -1.107   9.046   5.078
  471   1HA   GLY  64          1HA       GLY  64  -0.392  11.249   4.663
  472   2HA   GLY  64          2HA       GLY  64   1.174  10.918   5.461
  473    H    TYR  65           H        TYR  65   0.105   8.462   3.345
  474    HA   TYR  65           HA       TYR  65   2.133   9.250   1.333
  475   1HB   TYR  65          1HB       TYR  65   1.536   6.519   2.509
  476   2HB   TYR  65          2HB       TYR  65   2.684   6.799   1.226
  477    HD1  TYR  65           HD1      TYR  65   3.279   5.416   3.829
  478    HD2  TYR  65           HD2      TYR  65   3.760   9.533   2.657
  479    HE1  TYR  65           HE1      TYR  65   4.990   5.713   5.592
  480    HE2  TYR  65           HE2      TYR  65   5.413   9.854   4.448
  481    HH   TYR  65           HH       TYR  65   6.431   7.203   6.630
  482    H    HIS  66           H        HIS  66   1.991   8.128  -0.710
  483    HA   HIS  66           HA       HIS  66  -0.768   7.561  -1.685
  484   1HB   HIS  66          1HB       HIS  66   0.991   9.914  -2.381
  485   2HB   HIS  66          2HB       HIS  66   0.189   9.134  -3.726
  486    HD1  HIS  66           HD1      HIS  66  -2.270   9.834  -4.116
  487    HD2  HIS  66           HD2      HIS  66  -0.936  10.451  -0.176
  488    HE1  HIS  66           HE1      HIS  66  -4.235  10.789  -2.790
  489    HE2  HIS  66           HE2      HIS  66  -3.476  11.006  -0.438
  490    H    ALA  67           H        ALA  67  -0.011   7.178  -4.445
  491    HA   ALA  67           HA       ALA  67   2.205   5.175  -4.232
  492   1HB   ALA  67          1HB       ALA  67  -0.392   4.877  -5.816
  493   2HB   ALA  67          2HB       ALA  67   0.984   3.747  -5.762
  494   3HB   ALA  67          3HB       ALA  67   0.016   4.019  -4.308
  495    H    ARG  68           H        ARG  68   3.361   4.818  -6.182
  496    HA   ARG  68           HA       ARG  68   3.162   6.834  -8.350
  497   1HB   ARG  68          1HB       ARG  68   5.736   6.890  -8.315
  498   2HB   ARG  68          2HB       ARG  68   4.856   7.872  -7.152
  499   1HG   ARG  68          1HG       ARG  68   5.318   6.297  -5.349
  500   2HG   ARG  68          2HG       ARG  68   5.941   5.141  -6.492
  501   1HD   ARG  68          1HD       ARG  68   7.786   6.012  -5.343
  502   2HD   ARG  68          2HD       ARG  68   7.866   6.624  -6.993
  503    HE   ARG  68           HE       ARG  68   6.596   8.520  -5.166
  504   1HH1  ARG  68          1HH1      ARG  68   9.755   7.089  -5.687
  505   2HH1  ARG  68          2HH1      ARG  68  10.534   8.333  -4.934
  506   1HH2  ARG  68          1HH2      ARG  68   7.762  10.232  -4.292
  507   2HH2  ARG  68          2HH2      ARG  68   9.512  10.199  -4.345
  508    H    VAL  69           H        VAL  69   3.143   5.869 -10.253
  509    HA   VAL  69           HA       VAL  69   3.715   2.936 -10.377
  510    HB   VAL  69           HB       VAL  69   2.112   4.698 -12.274
  511   1HG1  VAL  69          1HG1      VAL  69   1.294   2.514 -13.208
  512   2HG1  VAL  69          2HG1      VAL  69   3.023   2.746 -13.471
  513   3HG1  VAL  69          3HG1      VAL  69   2.464   1.660 -12.179
  514   1HG2  VAL  69          1HG2      VAL  69   0.121   3.527 -11.349
  515   2HG2  VAL  69          2HG2      VAL  69   1.162   2.689 -10.179
  516   3HG2  VAL  69          3HG2      VAL  69   0.957   4.454 -10.099
  517    H    LEU  70           H        LEU  70   5.275   2.117 -11.455
  518    HA   LEU  70           HA       LEU  70   6.997   3.901 -13.075
  519   1HB   LEU  70          1HB       LEU  70   8.696   2.228 -12.736
  520   2HB   LEU  70          2HB       LEU  70   8.106   2.828 -11.213
  521    HG   LEU  70           HG       LEU  70   7.017   0.213 -12.314
  522   1HD1  LEU  70          1HD1      LEU  70   8.826  -0.998 -11.162
  523   2HD1  LEU  70          2HD1      LEU  70   9.464   0.015 -12.464
  524   3HD1  LEU  70          3HD1      LEU  70   9.621   0.543 -10.774
  525   1HD2  LEU  70          1HD2      LEU  70   7.414   1.306  -9.503
  526   2HD2  LEU  70          2HD2      LEU  70   5.873   0.992 -10.322
  527   3HD2  LEU  70          3HD2      LEU  70   6.915  -0.354  -9.871
  528    H    LYS  71           H        LYS  71   7.531   3.502 -15.198
  529    HA   LYS  71           HA       LYS  71   5.714   1.993 -16.799
  530   1HB   LYS  71          1HB       LYS  71   6.783   3.997 -17.572
  531   2HB   LYS  71          2HB       LYS  71   8.396   3.330 -17.383
  532   1HG   LYS  71          1HG       LYS  71   6.511   1.903 -19.263
  533   2HG   LYS  71          2HG       LYS  71   7.086   3.484 -19.751
  534   1HD   LYS  71          1HD       LYS  71   9.286   2.875 -19.944
  535   2HD   LYS  71          2HD       LYS  71   9.191   1.564 -18.778
  536   1HE   LYS  71          1HE       LYS  71   7.773   1.399 -21.470
  537   2HE   LYS  71          2HE       LYS  71   9.479   0.963 -21.272
  538   1HZ   LYS  71          1HZ       LYS  71   8.194  -1.023 -20.969
  539   2HZ   LYS  71          2HZ       LYS  71   8.809  -0.590 -19.528
  540   3HZ   LYS  71          3HZ       LYS  71   7.242  -0.303 -19.794
  541    H    GLN  72           H        GLN  72   8.405   0.855 -15.110
  542    HA   GLN  72           HA       GLN  72   9.689  -1.056 -15.090
  543   1HB   GLN  72          1HB       GLN  72   7.187  -1.502 -14.354
  544   2HB   GLN  72          2HB       GLN  72   7.120  -2.484 -15.808
  545   1HG   GLN  72          1HG       GLN  72   9.276  -3.672 -14.783
  546   2HG   GLN  72          2HG       GLN  72   8.826  -2.832 -13.309
  547   1HE2  GLN  72          1HE2      GLN  72   7.941  -5.535 -15.518
  548   2HE2  GLN  72          2HE2      GLN  72   6.612  -6.042 -14.494
  549    H    GLN  73           H        GLN  73   9.133  -3.578 -16.486
  550    HA   GLN  73           HA       GLN  73   8.706  -3.299 -19.213
  551   1HB   GLN  73          1HB       GLN  73  11.210  -2.603 -19.089
  552   2HB   GLN  73          2HB       GLN  73  11.531  -4.219 -18.482
  553   1HG   GLN  73          1HG       GLN  73  12.061  -4.143 -20.806
  554   2HG   GLN  73          2HG       GLN  73  10.641  -5.158 -20.648
  555   1HE2  GLN  73          1HE2      GLN  73  11.614  -3.722 -23.050
  556   2HE2  GLN  73          2HE2      GLN  73  10.278  -2.670 -23.499
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1  -5.118 -11.354 -12.485
    2   2H    MET   1          2H        MET   1  -4.230 -11.622 -13.851
    3   3H    MET   1          3H        MET   1  -3.504 -11.252 -12.412
    4    HA   MET   1           HA       MET   1  -5.028 -13.727 -12.920
    5   1HB   MET   1          1HB       MET   1  -2.019 -13.281 -12.673
    6   2HB   MET   1          2HB       MET   1  -2.814 -14.866 -12.657
    7   1HG   MET   1          1HG       MET   1  -3.668 -14.498 -14.924
    8   2HG   MET   1          2HG       MET   1  -2.941 -12.882 -14.960
    9   1HE   MET   1          1HE       MET   1  -1.721 -13.460 -17.267
   10   2HE   MET   1          2HE       MET   1  -0.713 -14.905 -17.492
   11   3HE   MET   1          3HE       MET   1  -2.462 -15.080 -17.229
   12    H    ALA   2           H        ALA   2  -2.403 -13.882 -10.646
   13    HA   ALA   2           HA       ALA   2  -3.743 -12.784  -8.303
   14   1HB   ALA   2          1HB       ALA   2  -1.603 -13.972  -8.095
   15   2HB   ALA   2          2HB       ALA   2  -0.830 -12.862  -9.256
   16   3HB   ALA   2          3HB       ALA   2  -1.365 -12.270  -7.678
   17    H    GLN   3           H        GLN   3  -3.902 -10.491  -7.827
   18    HA   GLN   3           HA       GLN   3  -3.890  -8.891 -10.373
   19   1HB   GLN   3          1HB       GLN   3  -6.065 -10.010  -9.373
   20   2HB   GLN   3          2HB       GLN   3  -5.991  -8.715  -8.196
   21   1HG   GLN   3          1HG       GLN   3  -7.446  -7.983  -9.927
   22   2HG   GLN   3          2HG       GLN   3  -5.959  -7.079 -10.183
   23   1HE2  GLN   3          1HE2      GLN   3  -7.708  -7.206 -12.306
   24   2HE2  GLN   3          2HE2      GLN   3  -7.080  -8.310 -13.519
   25    H    THR   4           H        THR   4  -1.614  -8.497  -9.107
   26    HA   THR   4           HA       THR   4  -2.068  -6.822  -6.763
   27    HB   THR   4           HB       THR   4  -0.558  -8.664  -6.534
   28    HG1  THR   4           HG1      THR   4   0.731  -6.135  -6.408
   29   1HG2  THR   4          1HG2      THR   4   1.342  -7.233  -8.464
   30   2HG2  THR   4          2HG2      THR   4   1.683  -8.682  -7.505
   31   3HG2  THR   4          3HG2      THR   4   0.486  -8.754  -8.808
   32    H    ILE   5           H        ILE   5  -1.839  -4.841  -6.473
   33    HA   ILE   5           HA       ILE   5  -0.841  -2.921  -8.466
   34    HB   ILE   5           HB       ILE   5  -1.191  -2.517  -5.462
   35   1HG1  ILE   5          1HG1      ILE   5  -3.363  -3.252  -6.114
   36   2HG1  ILE   5          2HG1      ILE   5  -3.410  -1.514  -5.900
   37   1HG2  ILE   5          1HG2      ILE   5   0.104  -0.786  -6.599
   38   2HG2  ILE   5          2HG2      ILE   5  -1.172  -0.561  -7.807
   39   3HG2  ILE   5          3HG2      ILE   5  -1.460  -0.138  -6.105
   40   1HD1  ILE   5          1HD1      ILE   5  -3.341  -2.985  -8.572
   41   2HD1  ILE   5          2HD1      ILE   5  -4.725  -2.159  -7.840
   42   3HD1  ILE   5          3HD1      ILE   5  -3.331  -1.214  -8.383
   43    H    ASN   6           H        ASN   6   1.273  -2.309  -8.625
   44    HA   ASN   6           HA       ASN   6   3.102  -2.767  -6.419
   45   1HB   ASN   6          1HB       ASN   6   4.856  -3.827  -7.702
   46   2HB   ASN   6          2HB       ASN   6   3.426  -4.848  -7.648
   47   1HD2  ASN   6          1HD2      ASN   6   1.936  -4.723  -9.648
   48   2HD2  ASN   6          2HD2      ASN   6   2.749  -4.450 -11.183
   49    H    LEU   7           H        LEU   7   4.169  -0.961  -6.109
   50    HA   LEU   7           HA       LEU   7   4.915   0.895  -8.221
   51   1HB   LEU   7          1HB       LEU   7   3.373   2.548  -7.887
   52   2HB   LEU   7          2HB       LEU   7   2.398   1.118  -7.868
   53    HG   LEU   7           HG       LEU   7   3.125   2.926  -5.552
   54   1HD1  LEU   7          1HD1      LEU   7   1.232   3.537  -7.005
   55   2HD1  LEU   7          2HD1      LEU   7   0.472   1.960  -6.700
   56   3HD1  LEU   7          3HD1      LEU   7   0.681   3.112  -5.369
   57   1HD2  LEU   7          1HD2      LEU   7   3.323   0.673  -4.597
   58   2HD2  LEU   7          2HD2      LEU   7   1.814   1.409  -4.052
   59   3HD2  LEU   7          3HD2      LEU   7   1.787   0.185  -5.339
   60    H    GLN   8           H        GLN   8   5.592   3.103  -6.962
   61    HA   GLN   8           HA       GLN   8   7.243   2.323  -4.611
   62   1HB   GLN   8          1HB       GLN   8   7.642   4.205  -6.890
   63   2HB   GLN   8          2HB       GLN   8   8.253   4.712  -5.301
   64   1HG   GLN   8          1HG       GLN   8   9.609   2.704  -5.145
   65   2HG   GLN   8          2HG       GLN   8   8.932   2.052  -6.622
   66   1HE2  GLN   8          1HE2      GLN   8  11.058   4.658  -5.245
   67   2HE2  GLN   8          2HE2      GLN   8  11.887   4.882  -6.752
   68    H    LEU   9           H        LEU   9   7.372   3.808  -2.853
   69    HA   LEU   9           HA       LEU   9   4.778   5.266  -2.453
   70   1HB   LEU   9          1HB       LEU   9   5.061   2.877  -1.497
   71   2HB   LEU   9          2HB       LEU   9   6.167   3.589  -0.332
   72    HG   LEU   9           HG       LEU   9   3.223   4.324  -0.737
   73   1HD1  LEU   9          1HD1      LEU   9   3.584   2.055   0.174
   74   2HD1  LEU   9          2HD1      LEU   9   4.578   2.735   1.483
   75   3HD1  LEU   9          3HD1      LEU   9   2.846   3.117   1.364
   76   1HD2  LEU   9          1HD2      LEU   9   5.216   5.321   1.342
   77   2HD2  LEU   9          2HD2      LEU   9   4.198   6.284   0.240
   78   3HD2  LEU   9          3HD2      LEU   9   3.453   5.408   1.563
   79    H    GLU  10           H        GLU  10   4.987   7.300  -1.659
   80    HA   GLU  10           HA       GLU  10   7.663   8.199  -0.672
   81   1HB   GLU  10          1HB       GLU  10   5.974   9.241  -2.984
   82   2HB   GLU  10          2HB       GLU  10   7.189  10.230  -2.182
   83   1HG   GLU  10          1HG       GLU  10   8.785   8.157  -2.599
   84   2HG   GLU  10          2HG       GLU  10   7.580   7.703  -3.807
   85    H    GLY  11           H        GLY  11   7.767   9.994   0.550
   86   1HA   GLY  11          1HA       GLY  11   6.354  12.074   1.240
   87   2HA   GLY  11          2HA       GLY  11   5.287  10.856   1.956
   88    H    MET  12           H        MET  12   6.673   9.140   3.263
   89    HA   MET  12           HA       MET  12   8.883  10.497   4.762
   90   1HB   MET  12          1HB       MET  12   8.751   8.727   6.408
   91   2HB   MET  12          2HB       MET  12   7.286   9.697   6.348
   92   1HG   MET  12          1HG       MET  12   6.009   7.964   5.497
   93   2HG   MET  12          2HG       MET  12   7.352   7.126   4.780
   94   1HE   MET  12          1HE       MET  12   6.665   7.180   9.390
   95   2HE   MET  12          2HE       MET  12   7.692   8.374   8.589
   96   3HE   MET  12          3HE       MET  12   5.959   8.345   8.253
   97    H    ARG  13           H        ARG  13  10.874   9.466   4.924
   98    HA   ARG  13           HA       ARG  13  11.313   6.840   3.637
   99   1HB   ARG  13          1HB       ARG  13  12.965   9.338   3.048
  100   2HB   ARG  13          2HB       ARG  13  13.575   7.691   2.837
  101   1HG   ARG  13          1HG       ARG  13  11.780   7.183   1.223
  102   2HG   ARG  13          2HG       ARG  13  11.161   8.840   1.377
  103   1HD   ARG  13          1HD       ARG  13  13.199   9.779   0.454
  104   2HD   ARG  13          2HD       ARG  13  14.017   8.215   0.553
  105    HE   ARG  13           HE       ARG  13  13.010   7.486  -1.393
  106   1HH1  ARG  13          1HH1      ARG  13  11.333  10.559  -0.639
  107   2HH1  ARG  13          2HH1      ARG  13  10.614  10.508  -2.263
  108   1HH2  ARG  13          1HH2      ARG  13  11.960   7.570  -3.252
  109   2HH2  ARG  13          2HH2      ARG  13  10.928   8.979  -3.605
  110    H    CYS  14           H        CYS  14  11.041   6.303   5.861
  111    HA   CYS  14           HA       CYS  14  13.023   7.177   7.884
  112   1HB   CYS  14          1HB       CYS  14  10.050   7.903   8.101
  113   2HB   CYS  14          2HB       CYS  14  11.327   8.287   9.269
  114    HG   CYS  14           HG       CYS  14  12.751   9.725   7.462
  115    H    ALA  15           H        ALA  15  10.406   6.482   9.716
  116    HA   ALA  15           HA       ALA  15  10.181   3.607   9.163
  117   1HB   ALA  15          1HB       ALA  15  10.615   3.013  11.536
  118   2HB   ALA  15          2HB       ALA  15  12.044   3.739  10.777
  119   3HB   ALA  15          3HB       ALA  15  11.038   4.704  11.881
  120    H    ALA  16           H        ALA  16   8.287   2.743   9.909
  121    HA   ALA  16           HA       ALA  16   6.551   2.398  11.379
  122   1HB   ALA  16          1HB       ALA  16   6.913   4.449  12.715
  123   2HB   ALA  16          2HB       ALA  16   6.021   5.397  11.507
  124   3HB   ALA  16          3HB       ALA  16   5.205   4.111  12.406
  125    H    CYS  17           H        CYS  17   5.474   5.219   9.479
  126    HA   CYS  17           HA       CYS  17   3.038   4.152   9.036
  127   1HB   CYS  17          1HB       CYS  17   4.428   6.334   7.466
  128   2HB   CYS  17          2HB       CYS  17   2.688   6.025   7.513
  129    HG   CYS  17           HG       CYS  17   3.156   8.075   9.101
  130    H    ALA  18           H        ALA  18   5.791   3.523   6.901
  131    HA   ALA  18           HA       ALA  18   4.300   2.727   4.597
  132   1HB   ALA  18          1HB       ALA  18   7.003   1.760   5.632
  133   2HB   ALA  18          2HB       ALA  18   6.361   1.521   3.991
  134   3HB   ALA  18          3HB       ALA  18   6.711   3.161   4.576
  135    H    SER  19           H        SER  19   5.680   0.523   7.145
  136    HA   SER  19           HA       SER  19   3.872  -1.601   6.282
  137   1HB   SER  19          1HB       SER  19   6.188  -1.833   7.377
  138   2HB   SER  19          2HB       SER  19   5.346  -1.572   8.917
  139    HG   SER  19           HG       SER  19   4.765  -3.604   6.941
  140    H    SER  20           H        SER  20   3.547   1.085   8.588
  141    HA   SER  20           HA       SER  20   1.128   0.046   9.794
  142   1HB   SER  20          1HB       SER  20   2.686   2.164  10.340
  143   2HB   SER  20          2HB       SER  20   1.396   2.987   9.425
  144    HG   SER  20           HG       SER  20   1.308   2.471  11.887
  145    H    ILE  21           H        ILE  21   1.689   1.393   6.612
  146    HA   ILE  21           HA       ILE  21  -1.153   1.727   5.898
  147    HB   ILE  21           HB       ILE  21   1.388   1.611   4.239
  148   1HG1  ILE  21          1HG1      ILE  21  -0.553   3.911   4.389
  149   2HG1  ILE  21          2HG1      ILE  21   0.640   3.736   5.625
  150   1HG2  ILE  21          1HG2      ILE  21  -0.178   0.553   2.854
  151   2HG2  ILE  21          2HG2      ILE  21  -1.484   1.656   3.330
  152   3HG2  ILE  21          3HG2      ILE  21  -0.145   2.225   2.311
  153   1HD1  ILE  21          1HD1      ILE  21   2.436   3.788   3.875
  154   2HD1  ILE  21          2HD1      ILE  21   1.176   4.047   2.645
  155   3HD1  ILE  21          3HD1      ILE  21   1.440   5.255   3.903
  156    H    GLU  22           H        GLU  22   1.346  -0.858   5.113
  157    HA   GLU  22           HA       GLU  22  -0.620  -2.475   3.904
  158   1HB   GLU  22          1HB       GLU  22   0.895  -4.180   3.854
  159   2HB   GLU  22          2HB       GLU  22   1.859  -2.719   3.851
  160   1HG   GLU  22          1HG       GLU  22   2.341  -3.108   6.254
  161   2HG   GLU  22          2HG       GLU  22   1.566  -4.675   6.093
  162    H    ARG  23           H        ARG  23   0.528  -2.407   7.253
  163    HA   ARG  23           HA       ARG  23  -0.842  -4.638   7.885
  164   1HB   ARG  23          1HB       ARG  23   1.035  -3.581   9.225
  165   2HB   ARG  23          2HB       ARG  23  -0.131  -2.424   9.881
  166   1HG   ARG  23          1HG       ARG  23   0.180  -4.124  11.531
  167   2HG   ARG  23          2HG       ARG  23  -1.411  -4.426  10.824
  168   1HD   ARG  23          1HD       ARG  23  -0.291  -6.138   9.283
  169   2HD   ARG  23          2HD       ARG  23   1.218  -5.833  10.128
  170    HE   ARG  23           HE       ARG  23   0.491  -7.047  11.949
  171   1HH1  ARG  23          1HH1      ARG  23  -2.277  -6.623   9.784
  172   2HH1  ARG  23          2HH1      ARG  23  -3.120  -8.002  10.418
  173   1HH2  ARG  23          1HH2      ARG  23  -0.704  -8.720  12.840
  174   2HH2  ARG  23          2HH2      ARG  23  -2.270  -9.121  12.210
  175    H    ALA  24           H        ALA  24  -2.015  -1.435   7.507
  176    HA   ALA  24           HA       ALA  24  -4.631  -1.904   8.766
  177   1HB   ALA  24          1HB       ALA  24  -3.580   0.466   7.144
  178   2HB   ALA  24          2HB       ALA  24  -5.127   0.399   8.002
  179   3HB   ALA  24          3HB       ALA  24  -3.604   0.356   8.917
  180    H    ILE  25           H        ILE  25  -3.138  -1.810   5.485
  181    HA   ILE  25           HA       ILE  25  -5.561  -2.219   3.958
  182    HB   ILE  25           HB       ILE  25  -2.673  -3.021   3.404
  183   1HG1  ILE  25          1HG1      ILE  25  -4.400  -0.791   2.230
  184   2HG1  ILE  25          2HG1      ILE  25  -3.210  -0.542   3.500
  185   1HG2  ILE  25          1HG2      ILE  25  -4.159  -4.510   2.117
  186   2HG2  ILE  25          2HG2      ILE  25  -5.086  -3.100   1.555
  187   3HG2  ILE  25          3HG2      ILE  25  -3.395  -3.361   1.057
  188   1HD1  ILE  25          1HD1      ILE  25  -1.423  -1.400   1.918
  189   2HD1  ILE  25          2HD1      ILE  25  -2.645  -1.357   0.624
  190   3HD1  ILE  25          3HD1      ILE  25  -2.190   0.128   1.446
  191    H    ALA  26           H        ALA  26  -3.470  -4.419   5.728
  192    HA   ALA  26           HA       ALA  26  -4.591  -6.875   5.042
  193   1HB   ALA  26          1HB       ALA  26  -2.573  -6.500   6.428
  194   2HB   ALA  26          2HB       ALA  26  -3.611  -5.985   7.784
  195   3HB   ALA  26          3HB       ALA  26  -3.691  -7.657   7.177
  196    H    LYS  27           H        LYS  27  -6.540  -4.399   6.364
  197    HA   LYS  27           HA       LYS  27  -8.573  -6.338   7.349
  198   1HB   LYS  27          1HB       LYS  27  -8.404  -3.293   7.208
  199   2HB   LYS  27          2HB       LYS  27  -9.858  -4.162   7.658
  200   1HG   LYS  27          1HG       LYS  27  -8.811  -3.406   9.587
  201   2HG   LYS  27          2HG       LYS  27  -8.745  -5.172   9.598
  202   1HD   LYS  27          1HD       LYS  27  -6.332  -5.072   9.046
  203   2HD   LYS  27          2HD       LYS  27  -6.425  -3.313   8.914
  204   1HE   LYS  27          1HE       LYS  27  -6.813  -4.994  11.411
  205   2HE   LYS  27          2HE       LYS  27  -5.409  -3.983  11.011
  206   1HZ   LYS  27          1HZ       LYS  27  -6.845  -2.042  11.123
  207   2HZ   LYS  27          2HZ       LYS  27  -8.165  -2.965  11.434
  208   3HZ   LYS  27          3HZ       LYS  27  -6.961  -2.867  12.546
  209    H    VAL  28           H        VAL  28  -7.662  -4.958   4.302
  210    HA   VAL  28           HA       VAL  28 -10.323  -4.752   3.148
  211    HB   VAL  28           HB       VAL  28  -7.594  -5.042   1.815
  212   1HG1  VAL  28          1HG1      VAL  28 -10.310  -4.311   0.610
  213   2HG1  VAL  28          2HG1      VAL  28  -8.754  -4.239  -0.242
  214   3HG1  VAL  28          3HG1      VAL  28  -9.396  -5.799   0.285
  215   1HG2  VAL  28          1HG2      VAL  28  -9.364  -2.583   2.229
  216   2HG2  VAL  28          2HG2      VAL  28  -7.847  -2.910   3.088
  217   3HG2  VAL  28          3HG2      VAL  28  -7.822  -2.622   1.345
  218    HA   PRO  29           HA       PRO  29 -10.693  -9.022   3.675
  219   1HB   PRO  29          1HB       PRO  29 -13.053  -9.642   2.353
  220   2HB   PRO  29          2HB       PRO  29 -12.947  -8.747   3.898
  221   1HG   PRO  29          1HG       PRO  29 -13.170  -7.605   1.095
  222   2HG   PRO  29          2HG       PRO  29 -14.128  -7.169   2.550
  223   1HD   PRO  29          1HD       PRO  29 -12.002  -5.678   1.802
  224   2HD   PRO  29          2HD       PRO  29 -12.277  -6.040   3.535
  225    H    GLY  30           H        GLY  30 -10.586  -7.976   0.280
  226   1HA   GLY  30          1HA       GLY  30 -10.245 -10.667  -0.793
  227   2HA   GLY  30          2HA       GLY  30 -10.034  -9.130  -1.648
  228    H    VAL  31           H        VAL  31  -8.088  -8.998   1.073
  229    HA   VAL  31           HA       VAL  31  -5.721  -8.812  -0.502
  230    HB   VAL  31           HB       VAL  31  -6.059  -7.588   1.553
  231   1HG1  VAL  31          1HG1      VAL  31  -5.297 -10.017   3.208
  232   2HG1  VAL  31          2HG1      VAL  31  -5.816  -8.418   3.750
  233   3HG1  VAL  31          3HG1      VAL  31  -6.982  -9.511   2.986
  234   1HG2  VAL  31          1HG2      VAL  31  -3.818  -7.841   0.591
  235   2HG2  VAL  31          2HG2      VAL  31  -3.751  -7.727   2.362
  236   3HG2  VAL  31          3HG2      VAL  31  -3.540  -9.299   1.567
  237    H    GLN  32           H        GLN  32  -4.890 -10.408  -1.593
  238    HA   GLN  32           HA       GLN  32  -4.608 -13.109  -0.353
  239   1HB   GLN  32          1HB       GLN  32  -4.134 -13.970  -2.501
  240   2HB   GLN  32          2HB       GLN  32  -5.520 -12.909  -2.649
  241   1HG   GLN  32          1HG       GLN  32  -4.435 -12.148  -4.461
  242   2HG   GLN  32          2HG       GLN  32  -3.603 -11.120  -3.327
  243   1HE2  GLN  32          1HE2      GLN  32  -1.757 -13.470  -2.300
  244   2HE2  GLN  32          2HE2      GLN  32  -0.717 -13.660  -3.706
  245    H    SER  33           H        SER  33  -2.731 -10.207  -0.938
  246    HA   SER  33           HA       SER  33  -0.916 -11.003   1.012
  247   1HB   SER  33          1HB       SER  33   0.143 -12.415  -0.822
  248   2HB   SER  33          2HB       SER  33   0.477 -10.915  -1.695
  249    HG   SER  33           HG       SER  33   1.763 -10.258   0.111
  250    H    CYS  34           H        CYS  34   0.161  -9.184   1.732
  251    HA   CYS  34           HA       CYS  34   0.337  -6.755  -0.004
  252   1HB   CYS  34          1HB       CYS  34   0.340  -7.053   3.046
  253   2HB   CYS  34          2HB       CYS  34   0.843  -5.588   2.210
  254    HG   CYS  34           HG       CYS  34  -2.026  -7.050   1.503
  255    H    GLN  35           H        GLN  35   2.380  -5.558   0.608
  256    HA   GLN  35           HA       GLN  35   4.358  -6.261   2.270
  257   1HB   GLN  35          1HB       GLN  35   4.750  -7.724  -0.260
  258   2HB   GLN  35          2HB       GLN  35   6.123  -6.713   0.160
  259   1HG   GLN  35          1HG       GLN  35   6.578  -7.836   2.137
  260   2HG   GLN  35          2HG       GLN  35   4.916  -8.386   2.359
  261   1HE2  GLN  35          1HE2      GLN  35   4.070  -9.955   0.742
  262   2HE2  GLN  35          2HE2      GLN  35   5.205 -11.235   0.263
  263    H    VAL  36           H        VAL  36   5.918  -4.624   2.409
  264    HA   VAL  36           HA       VAL  36   6.328  -2.836   0.195
  265    HB   VAL  36           HB       VAL  36   4.564  -1.563   1.100
  266   1HG1  VAL  36          1HG1      VAL  36   4.310  -2.508   3.318
  267   2HG1  VAL  36          2HG1      VAL  36   5.828  -1.746   3.864
  268   3HG1  VAL  36          3HG1      VAL  36   4.429  -0.756   3.404
  269   1HG2  VAL  36          1HG2      VAL  36   5.608   0.537   1.747
  270   2HG2  VAL  36          2HG2      VAL  36   7.120  -0.284   2.169
  271   3HG2  VAL  36          3HG2      VAL  36   6.569  -0.227   0.483
  272    H    ASN  37           H        ASN  37   8.288  -2.377  -0.002
  273    HA   ASN  37           HA       ASN  37  10.231  -3.455   1.975
  274   1HB   ASN  37          1HB       ASN  37   9.970  -4.428  -0.318
  275   2HB   ASN  37          2HB       ASN  37  10.469  -2.881  -1.004
  276   1HD2  ASN  37          1HD2      ASN  37  11.769  -5.285  -1.490
  277   2HD2  ASN  37          2HD2      ASN  37  13.367  -5.271  -0.720
  278    H    PHE  38           H        PHE  38   9.940  -1.441   3.201
  279    HA   PHE  38           HA       PHE  38  10.386   1.079   2.010
  280   1HB   PHE  38          1HB       PHE  38   8.889   0.435   3.947
  281   2HB   PHE  38          2HB       PHE  38  10.327   0.399   4.964
  282    HD1  PHE  38           HD1      PHE  38  10.034   2.191   6.465
  283    HD2  PHE  38           HD2      PHE  38   9.248   2.856   2.268
  284    HE1  PHE  38           HE1      PHE  38   9.627   4.595   6.899
  285    HE2  PHE  38           HE2      PHE  38   8.974   5.263   2.698
  286    HZ   PHE  38           HZ       PHE  38   9.198   6.142   5.011
  287    H    ALA  39           H        ALA  39  12.719  -0.520   1.620
  288    HA   ALA  39           HA       ALA  39  14.735   1.515   2.391
  289   1HB   ALA  39          1HB       ALA  39  15.201  -0.527   3.721
  290   2HB   ALA  39          2HB       ALA  39  15.170  -1.516   2.241
  291   3HB   ALA  39          3HB       ALA  39  16.437  -0.291   2.470
  292    H    LEU  40           H        LEU  40  13.319  -0.745  -0.043
  293    HA   LEU  40           HA       LEU  40  14.898   0.529  -2.138
  294   1HB   LEU  40          1HB       LEU  40  15.334  -1.802  -1.923
  295   2HB   LEU  40          2HB       LEU  40  13.653  -2.169  -1.542
  296    HG   LEU  40           HG       LEU  40  12.972  -1.735  -3.743
  297   1HD1  LEU  40          1HD1      LEU  40  14.609  -1.544  -5.644
  298   2HD1  LEU  40          2HD1      LEU  40  14.836  -0.181  -4.540
  299   3HD1  LEU  40          3HD1      LEU  40  15.954  -1.549  -4.482
  300   1HD2  LEU  40          1HD2      LEU  40  13.991  -3.788  -4.795
  301   2HD2  LEU  40          2HD2      LEU  40  15.225  -3.777  -3.517
  302   3HD2  LEU  40          3HD2      LEU  40  13.514  -4.021  -3.106
  303    H    GLU  41           H        GLU  41  11.978   0.808  -0.637
  304    HA   GLU  41           HA       GLU  41  10.343   2.307  -0.943
  305   1HB   GLU  41          1HB       GLU  41  11.432   2.874  -3.729
  306   2HB   GLU  41          2HB       GLU  41  10.173   3.759  -2.879
  307   1HG   GLU  41          1HG       GLU  41  11.791   4.332  -1.082
  308   2HG   GLU  41          2HG       GLU  41  13.075   3.585  -2.050
  309    H    GLN  42           H        GLN  42  10.358  -0.559  -2.878
  310    HA   GLN  42           HA       GLN  42   7.866   0.209  -4.184
  311   1HB   GLN  42          1HB       GLN  42   7.548  -1.816  -5.102
  312   2HB   GLN  42          2HB       GLN  42   9.225  -1.479  -5.304
  313   1HG   GLN  42          1HG       GLN  42   8.202  -3.311  -2.988
  314   2HG   GLN  42          2HG       GLN  42   8.177  -3.881  -4.626
  315   1HE2  GLN  42          1HE2      GLN  42  10.816  -2.716  -5.476
  316   2HE2  GLN  42          2HE2      GLN  42  11.939  -3.783  -4.620
  317    H    ALA  43           H        ALA  43   5.802  -0.326  -3.726
  318    HA   ALA  43           HA       ALA  43   5.231  -2.089  -1.388
  319   1HB   ALA  43          1HB       ALA  43   4.535   0.207  -0.824
  320   2HB   ALA  43          2HB       ALA  43   3.572   0.299  -2.309
  321   3HB   ALA  43          3HB       ALA  43   3.127  -0.853  -1.029
  322    H    VAL  44           H        VAL  44   3.676  -3.630  -1.696
  323    HA   VAL  44           HA       VAL  44   2.581  -3.971  -4.402
  324    HB   VAL  44           HB       VAL  44   4.713  -5.113  -4.461
  325   1HG1  VAL  44          1HG1      VAL  44   5.077  -5.652  -2.098
  326   2HG1  VAL  44          2HG1      VAL  44   3.762  -6.856  -2.161
  327   3HG1  VAL  44          3HG1      VAL  44   5.241  -7.086  -3.110
  328   1HG2  VAL  44          1HG2      VAL  44   2.501  -7.182  -4.373
  329   2HG2  VAL  44          2HG2      VAL  44   2.865  -6.092  -5.739
  330   3HG2  VAL  44          3HG2      VAL  44   4.049  -7.299  -5.231
  331    H    VAL  45           H        VAL  45   0.604  -4.975  -4.477
  332    HA   VAL  45           HA       VAL  45  -0.333  -6.698  -2.406
  333    HB   VAL  45           HB       VAL  45  -0.694  -4.858  -0.979
  334   1HG1  VAL  45          1HG1      VAL  45  -2.016  -2.868  -1.504
  335   2HG1  VAL  45          2HG1      VAL  45  -0.586  -2.980  -2.532
  336   3HG1  VAL  45          3HG1      VAL  45  -2.179  -3.402  -3.189
  337   1HG2  VAL  45          1HG2      VAL  45  -3.427  -5.455  -2.147
  338   2HG2  VAL  45          2HG2      VAL  45  -2.546  -6.513  -1.032
  339   3HG2  VAL  45          3HG2      VAL  45  -3.043  -4.909  -0.509
  340    H    SER  46           H        SER  46  -1.778  -8.032  -3.096
  341    HA   SER  46           HA       SER  46  -3.689  -7.177  -5.259
  342   1HB   SER  46          1HB       SER  46  -2.560  -8.879  -6.313
  343   2HB   SER  46          2HB       SER  46  -2.341  -9.845  -4.910
  344    HG   SER  46           HG       SER  46  -4.632 -10.288  -5.045
  345    H    TYR  47           H        TYR  47  -5.579  -6.801  -4.529
  346    HA   TYR  47           HA       TYR  47  -6.777  -8.462  -2.400
  347   1HB   TYR  47          1HB       TYR  47  -7.587  -6.397  -1.196
  348   2HB   TYR  47          2HB       TYR  47  -5.895  -6.791  -1.089
  349    HD1  TYR  47           HD1      TYR  47  -5.748  -4.529  -0.104
  350    HD2  TYR  47           HD2      TYR  47  -6.724  -5.145  -4.242
  351    HE1  TYR  47           HE1      TYR  47  -4.622  -2.372  -0.696
  352    HE2  TYR  47           HE2      TYR  47  -5.468  -3.078  -4.829
  353    HH   TYR  47           HH       TYR  47  -3.937  -0.968  -2.491
  354    H    HIS  48           H        HIS  48  -7.276  -8.025  -5.314
  355    HA   HIS  48           HA       HIS  48 -10.101  -7.031  -5.288
  356   1HB   HIS  48          1HB       HIS  48  -8.543  -7.488  -7.819
  357   2HB   HIS  48          2HB       HIS  48  -9.875  -6.391  -7.506
  358    HD2  HIS  48           HD2      HIS  48  -6.099  -6.828  -6.774
  359    HE1  HIS  48           HE1      HIS  48  -6.901  -2.624  -6.717
  360    HE2  HIS  48           HE2      HIS  48  -5.053  -4.416  -6.762
  361    H    GLY  49           H        GLY  49 -11.569  -8.631  -5.158
  362   1HA   GLY  49          1HA       GLY  49 -11.131 -11.227  -6.628
  363   2HA   GLY  49          2HA       GLY  49 -11.703 -11.165  -4.955
  364    H    GLU  50           H        GLU  50 -12.970  -8.672  -6.918
  365    HA   GLU  50           HA       GLU  50 -15.348  -9.733  -7.939
  366   1HB   GLU  50          1HB       GLU  50 -15.665 -10.170  -5.403
  367   2HB   GLU  50          2HB       GLU  50 -15.809  -8.445  -5.207
  368   1HG   GLU  50          1HG       GLU  50 -17.544 -10.157  -7.069
  369   2HG   GLU  50          2HG       GLU  50 -17.948  -9.835  -5.380
  370    H    THR  51           H        THR  51 -16.361  -6.861  -6.526
  371    HA   THR  51           HA       THR  51 -15.288  -5.143  -8.590
  372    HB   THR  51           HB       THR  51 -17.548  -4.999  -7.469
  373    HG1  THR  51           HG1      THR  51 -17.554  -2.949  -7.959
  374   1HG2  THR  51          1HG2      THR  51 -16.713  -5.097  -5.075
  375   2HG2  THR  51          2HG2      THR  51 -16.043  -3.467  -5.293
  376   3HG2  THR  51          3HG2      THR  51 -17.794  -3.746  -5.427
  377    H    THR  52           H        THR  52 -14.398  -2.951  -7.838
  378    HA   THR  52           HA       THR  52 -12.575  -3.065  -5.579
  379    HB   THR  52           HB       THR  52 -11.205  -4.223  -7.066
  380    HG1  THR  52           HG1      THR  52  -9.507  -3.037  -6.626
  381   1HG2  THR  52          1HG2      THR  52 -10.232  -3.354  -9.076
  382   2HG2  THR  52          2HG2      THR  52 -11.993  -3.318  -9.280
  383   3HG2  THR  52          3HG2      THR  52 -11.103  -1.816  -8.926
  384    HA   PRO  53           HA       PRO  53 -13.693   1.294  -6.126
  385   1HB   PRO  53          1HB       PRO  53 -13.601   2.059  -3.528
  386   2HB   PRO  53          2HB       PRO  53 -14.961   1.083  -4.164
  387   1HG   PRO  53          1HG       PRO  53 -12.513   0.104  -2.664
  388   2HG   PRO  53          2HG       PRO  53 -14.231  -0.303  -2.358
  389   1HD   PRO  53          1HD       PRO  53 -12.518  -1.868  -3.842
  390   2HD   PRO  53          2HD       PRO  53 -14.279  -1.799  -4.167
  391    H    GLN  54           H        GLN  54 -12.386   3.229  -5.764
  392    HA   GLN  54           HA       GLN  54  -9.637   2.907  -6.277
  393   1HB   GLN  54          1HB       GLN  54 -11.176   4.775  -6.923
  394   2HB   GLN  54          2HB       GLN  54 -11.112   5.377  -5.263
  395   1HG   GLN  54          1HG       GLN  54  -8.762   5.932  -5.487
  396   2HG   GLN  54          2HG       GLN  54  -8.631   5.006  -6.992
  397   1HE2  GLN  54          1HE2      GLN  54  -7.996   6.798  -8.365
  398   2HE2  GLN  54          2HE2      GLN  54  -9.136   8.120  -8.629
  399    H    ILE  55           H        ILE  55 -11.035   2.440  -3.314
  400    HA   ILE  55           HA       ILE  55  -9.290   3.550  -1.396
  401    HB   ILE  55           HB       ILE  55 -10.829   0.942  -1.318
  402   1HG1  ILE  55          1HG1      ILE  55 -11.589   3.729  -0.306
  403   2HG1  ILE  55          2HG1      ILE  55 -12.229   2.987  -1.768
  404   1HG2  ILE  55          1HG2      ILE  55 -10.723   1.174   1.165
  405   2HG2  ILE  55          2HG2      ILE  55  -9.136   0.966   0.469
  406   3HG2  ILE  55          3HG2      ILE  55  -9.663   2.587   0.974
  407   1HD1  ILE  55          1HD1      ILE  55 -13.185   1.125  -0.355
  408   2HD1  ILE  55          2HD1      ILE  55 -12.755   2.094   1.078
  409   3HD1  ILE  55          3HD1      ILE  55 -13.892   2.735  -0.111
  410    H    LEU  56           H        LEU  56  -8.727   0.957  -3.629
  411    HA   LEU  56           HA       LEU  56  -6.500  -0.371  -2.623
  412   1HB   LEU  56          1HB       LEU  56  -5.944  -0.805  -4.929
  413   2HB   LEU  56          2HB       LEU  56  -7.682  -0.786  -4.764
  414    HG   LEU  56           HG       LEU  56  -7.291   1.792  -5.576
  415   1HD1  LEU  56          1HD1      LEU  56  -5.108   0.228  -7.027
  416   2HD1  LEU  56          2HD1      LEU  56  -5.570   1.918  -7.296
  417   3HD1  LEU  56          3HD1      LEU  56  -4.767   1.437  -5.790
  418   1HD2  LEU  56          1HD2      LEU  56  -7.876   1.077  -7.827
  419   2HD2  LEU  56          2HD2      LEU  56  -7.387  -0.588  -7.462
  420   3HD2  LEU  56          3HD2      LEU  56  -8.783   0.133  -6.639
  421    H    THR  57           H        THR  57  -6.496   2.868  -4.099
  422    HA   THR  57           HA       THR  57  -3.661   3.195  -3.237
  423    HB   THR  57           HB       THR  57  -4.266   3.823  -5.562
  424    HG1  THR  57           HG1      THR  57  -3.149   5.580  -3.676
  425   1HG2  THR  57          1HG2      THR  57  -6.395   5.041  -5.195
  426   2HG2  THR  57          2HG2      THR  57  -5.534   6.275  -4.247
  427   3HG2  THR  57          3HG2      THR  57  -5.172   6.062  -5.968
  428    H    ASP  58           H        ASP  58  -6.839   4.497  -2.372
  429    HA   ASP  58           HA       ASP  58  -6.237   6.758  -0.837
  430   1HB   ASP  58          1HB       ASP  58  -8.488   5.689  -1.296
  431   2HB   ASP  58          2HB       ASP  58  -8.071   4.465  -0.076
  432    H    ALA  59           H        ALA  59  -5.747   3.334   0.144
  433    HA   ALA  59           HA       ALA  59  -5.000   3.846   2.788
  434   1HB   ALA  59          1HB       ALA  59  -3.912   1.645   2.673
  435   2HB   ALA  59          2HB       ALA  59  -5.476   1.625   1.834
  436   3HB   ALA  59          3HB       ALA  59  -3.970   1.695   0.891
  437    H    VAL  60           H        VAL  60  -3.096   4.970   0.107
  438    HA   VAL  60           HA       VAL  60  -0.675   5.232   1.844
  439    HB   VAL  60           HB       VAL  60   0.299   6.611   0.151
  440   1HG1  VAL  60          1HG1      VAL  60   0.435   4.143  -0.062
  441   2HG1  VAL  60          2HG1      VAL  60  -0.957   4.176  -1.169
  442   3HG1  VAL  60          3HG1      VAL  60   0.563   4.976  -1.618
  443   1HG2  VAL  60          1HG2      VAL  60  -2.397   6.723  -1.143
  444   2HG2  VAL  60          2HG2      VAL  60  -1.231   7.976  -0.896
  445   3HG2  VAL  60          3HG2      VAL  60  -0.951   6.777  -2.159
  446    H    GLU  61           H        GLU  61  -3.357   7.196   0.807
  447    HA   GLU  61           HA       GLU  61  -2.605   9.708   1.913
  448   1HB   GLU  61          1HB       GLU  61  -5.416   8.643   1.461
  449   2HB   GLU  61          2HB       GLU  61  -4.942  10.306   1.531
  450   1HG   GLU  61          1HG       GLU  61  -4.191   8.336  -0.661
  451   2HG   GLU  61          2HG       GLU  61  -5.405   9.594  -0.754
  452    H    ARG  62           H        ARG  62  -4.253   6.886   3.296
  453    HA   ARG  62           HA       ARG  62  -4.933   7.574   5.889
  454   1HB   ARG  62          1HB       ARG  62  -5.276   5.384   5.225
  455   2HB   ARG  62          2HB       ARG  62  -3.666   5.190   4.599
  456   1HG   ARG  62          1HG       ARG  62  -4.208   5.261   7.568
  457   2HG   ARG  62          2HG       ARG  62  -4.317   3.808   6.601
  458   1HD   ARG  62          1HD       ARG  62  -1.924   3.945   5.988
  459   2HD   ARG  62          2HD       ARG  62  -1.666   5.353   6.986
  460    HE   ARG  62           HE       ARG  62  -1.822   2.638   7.862
  461   1HH1  ARG  62          1HH1      ARG  62  -2.582   5.935   8.929
  462   2HH1  ARG  62          2HH1      ARG  62  -2.412   5.517  10.607
  463   1HH2  ARG  62          1HH2      ARG  62  -1.540   2.171   9.924
  464   2HH2  ARG  62          2HH2      ARG  62  -1.789   3.339  11.193
  465    H    ALA  63           H        ALA  63  -1.656   7.673   4.643
  466    HA   ALA  63           HA       ALA  63  -0.610   8.124   7.434
  467   1HB   ALA  63          1HB       ALA  63   0.373   6.223   6.166
  468   2HB   ALA  63          2HB       ALA  63   0.859   7.362   4.884
  469   3HB   ALA  63          3HB       ALA  63   1.532   7.515   6.521
  470    H    GLY  64           H        GLY  64  -1.565   9.972   4.748
  471   1HA   GLY  64          1HA       GLY  64  -1.229  12.238   4.317
  472   2HA   GLY  64          2HA       GLY  64   0.135  12.282   5.477
  473    H    TYR  65           H        TYR  65   0.261   9.554   3.460
  474    HA   TYR  65           HA       TYR  65   2.387  10.827   1.843
  475   1HB   TYR  65          1HB       TYR  65   2.358   8.015   2.958
  476   2HB   TYR  65          2HB       TYR  65   3.686   8.762   2.087
  477    HD1  TYR  65           HD1      TYR  65   3.712  11.533   3.412
  478    HD2  TYR  65           HD2      TYR  65   3.313   7.570   5.058
  479    HE1  TYR  65           HE1      TYR  65   4.475  12.382   5.594
  480    HE2  TYR  65           HE2      TYR  65   3.993   8.469   7.285
  481    HH   TYR  65           HH       TYR  65   4.770  11.870   7.845
  482    H    HIS  66           H        HIS  66   3.024   9.015  -0.003
  483    HA   HIS  66           HA       HIS  66   0.530   9.076  -1.629
  484   1HB   HIS  66          1HB       HIS  66   2.847  10.911  -1.599
  485   2HB   HIS  66          2HB       HIS  66   2.463  10.342  -3.198
  486    HD1  HIS  66           HD1      HIS  66   0.147  11.171  -4.232
  487    HD2  HIS  66           HD2      HIS  66   0.556  11.830  -0.114
  488    HE1  HIS  66           HE1      HIS  66  -2.062  12.122  -3.389
  489    HE2  HIS  66           HE2      HIS  66  -1.831  12.326  -0.929
  490    H    ALA  67           H        ALA  67   0.430   8.111  -3.465
  491    HA   ALA  67           HA       ALA  67   2.172   5.794  -4.007
  492   1HB   ALA  67          1HB       ALA  67  -0.406   6.876  -5.248
  493   2HB   ALA  67          2HB       ALA  67   0.411   5.417  -5.803
  494   3HB   ALA  67          3HB       ALA  67  -0.237   5.484  -4.159
  495    H    ARG  68           H        ARG  68   3.623   5.637  -5.598
  496    HA   ARG  68           HA       ARG  68   4.028   7.841  -7.567
  497   1HB   ARG  68          1HB       ARG  68   5.651   8.456  -6.032
  498   2HB   ARG  68          2HB       ARG  68   5.739   6.850  -5.363
  499   1HG   ARG  68          1HG       ARG  68   7.820   7.062  -6.164
  500   2HG   ARG  68          2HG       ARG  68   7.059   6.136  -7.417
  501   1HD   ARG  68          1HD       ARG  68   6.859   8.136  -8.842
  502   2HD   ARG  68          2HD       ARG  68   7.644   9.109  -7.603
  503    HE   ARG  68           HE       ARG  68   8.839   6.976  -9.277
  504   1HH1  ARG  68          1HH1      ARG  68   9.409   9.141  -6.505
  505   2HH1  ARG  68          2HH1      ARG  68  11.103   8.798  -6.476
  506   1HH2  ARG  68          1HH2      ARG  68  10.989   6.420  -8.998
  507   2HH2  ARG  68          2HH2      ARG  68  12.003   7.354  -7.933
  508    H    VAL  69           H        VAL  69   4.748   7.199  -9.485
  509    HA   VAL  69           HA       VAL  69   4.608   4.409 -10.283
  510    HB   VAL  69           HB       VAL  69   5.319   5.505 -12.507
  511   1HG1  VAL  69          1HG1      VAL  69   3.030   4.722 -12.011
  512   2HG1  VAL  69          2HG1      VAL  69   2.661   6.280 -11.239
  513   3HG1  VAL  69          3HG1      VAL  69   2.996   6.202 -12.983
  514   1HG2  VAL  69          1HG2      VAL  69   4.877   7.858 -12.845
  515   2HG2  VAL  69          2HG2      VAL  69   4.483   8.083 -11.134
  516   3HG2  VAL  69          3HG2      VAL  69   6.142   7.677 -11.624
  517    H    LEU  70           H        LEU  70   6.045   3.054 -10.316
  518    HA   LEU  70           HA       LEU  70   8.944   3.665 -10.381
  519   1HB   LEU  70          1HB       LEU  70   9.228   1.316  -9.999
  520   2HB   LEU  70          2HB       LEU  70   8.182   2.024  -8.804
  521    HG   LEU  70           HG       LEU  70   6.202   0.993  -9.975
  522   1HD1  LEU  70          1HD1      LEU  70   6.674  -1.025 -11.405
  523   2HD1  LEU  70          2HD1      LEU  70   6.993   0.502 -12.215
  524   3HD1  LEU  70          3HD1      LEU  70   8.350  -0.463 -11.577
  525   1HD2  LEU  70          1HD2      LEU  70   6.620  -1.223  -9.004
  526   2HD2  LEU  70          2HD2      LEU  70   8.372  -0.932  -9.024
  527   3HD2  LEU  70          3HD2      LEU  70   7.322   0.020  -7.959
  528    H    LYS  71           H        LYS  71  10.067   1.934 -12.037
  529    HA   LYS  71           HA       LYS  71   8.498   1.794 -14.556
  530   1HB   LYS  71          1HB       LYS  71  11.335   2.898 -14.390
  531   2HB   LYS  71          2HB       LYS  71  10.488   2.462 -15.882
  532   1HG   LYS  71          1HG       LYS  71   8.714   4.158 -15.345
  533   2HG   LYS  71          2HG       LYS  71   9.618   4.616 -13.898
  534   1HD   LYS  71          1HD       LYS  71  10.066   6.237 -15.565
  535   2HD   LYS  71          2HD       LYS  71  11.546   5.294 -15.320
  536   1HE   LYS  71          1HE       LYS  71  11.076   3.987 -17.363
  537   2HE   LYS  71          2HE       LYS  71   9.519   4.807 -17.555
  538   1HZ   LYS  71          1HZ       LYS  71  11.208   5.789 -18.987
  539   2HZ   LYS  71          2HZ       LYS  71  10.719   6.889 -17.872
  540   3HZ   LYS  71          3HZ       LYS  71  12.168   6.134 -17.698
  541    H    GLN  72           H        GLN  72   8.686  -0.080 -15.607
  542    HA   GLN  72           HA       GLN  72  10.924  -1.949 -14.924
  543   1HB   GLN  72          1HB       GLN  72   8.118  -2.647 -15.905
  544   2HB   GLN  72          2HB       GLN  72   9.465  -3.769 -15.669
  545   1HG   GLN  72          1HG       GLN  72   9.527  -3.047 -13.221
  546   2HG   GLN  72          2HG       GLN  72   7.991  -2.219 -13.519
  547   1HE2  GLN  72          1HE2      GLN  72   6.418  -3.550 -12.504
  548   2HE2  GLN  72          2HE2      GLN  72   6.360  -5.277 -12.789
  549    H    GLN  73           H        GLN  73  10.204  -3.542 -17.363
  550    HA   GLN  73           HA       GLN  73  10.720  -1.910 -19.662
  551   1HB   GLN  73          1HB       GLN  73  12.981  -2.734 -20.125
  552   2HB   GLN  73          2HB       GLN  73  12.972  -1.809 -18.632
  553   1HG   GLN  73          1HG       GLN  73  13.069  -3.839 -17.280
  554   2HG   GLN  73          2HG       GLN  73  12.833  -4.865 -18.699
  555   1HE2  GLN  73          1HE2      GLN  73  15.264  -3.349 -16.733
  556   2HE2  GLN  73          2HE2      GLN  73  16.574  -3.690 -17.861
  Start of MODEL   21
    1   1H    MET   1          1H        MET   1  -4.929 -15.325  -5.105
    2   2H    MET   1          2H        MET   1  -4.464 -16.844  -5.546
    3   3H    MET   1          3H        MET   1  -6.037 -16.351  -5.764
    4    HA   MET   1           HA       MET   1  -3.793 -15.005  -7.070
    5   1HB   MET   1          1HB       MET   1  -3.894 -17.391  -7.809
    6   2HB   MET   1          2HB       MET   1  -5.594 -17.173  -8.250
    7   1HG   MET   1          1HG       MET   1  -4.929 -15.432  -9.893
    8   2HG   MET   1          2HG       MET   1  -3.232 -15.674  -9.469
    9   1HE   MET   1          1HE       MET   1  -2.690 -18.767  -9.353
   10   2HE   MET   1          2HE       MET   1  -2.384 -19.114 -11.066
   11   3HE   MET   1          3HE       MET   1  -1.745 -17.624 -10.346
   12    H    ALA   2           H        ALA   2  -4.494 -13.274  -8.367
   13    HA   ALA   2           HA       ALA   2  -7.160 -12.636  -9.090
   14   1HB   ALA   2          1HB       ALA   2  -6.126 -11.333  -6.519
   15   2HB   ALA   2          2HB       ALA   2  -7.585 -10.854  -7.404
   16   3HB   ALA   2          3HB       ALA   2  -7.523 -12.421  -6.628
   17    H    GLN   3           H        GLN   3  -6.999  -9.878  -9.067
   18    HA   GLN   3           HA       GLN   3  -4.734  -9.161 -10.804
   19   1HB   GLN   3          1HB       GLN   3  -6.848  -8.185 -11.347
   20   2HB   GLN   3          2HB       GLN   3  -7.201  -7.785  -9.672
   21   1HG   GLN   3          1HG       GLN   3  -6.756  -5.788 -10.986
   22   2HG   GLN   3          2HG       GLN   3  -5.600  -5.960  -9.677
   23   1HE2  GLN   3          1HE2      GLN   3  -4.800  -4.214 -11.534
   24   2HE2  GLN   3          2HE2      GLN   3  -3.522  -4.978 -12.481
   25    H    THR   4           H        THR   4  -3.060  -7.691 -10.204
   26    HA   THR   4           HA       THR   4  -2.865  -6.751  -7.395
   27    HB   THR   4           HB       THR   4  -1.498  -8.857  -7.386
   28    HG1  THR   4           HG1      THR   4   0.501  -7.630  -6.909
   29   1HG2  THR   4          1HG2      THR   4   0.236  -7.463  -9.487
   30   2HG2  THR   4          2HG2      THR   4   0.538  -9.025  -8.697
   31   3HG2  THR   4          3HG2      THR   4  -0.815  -8.854  -9.822
   32    H    ILE   5           H        ILE   5  -1.386  -5.008  -7.155
   33    HA   ILE   5           HA       ILE   5  -0.232  -3.887  -9.621
   34    HB   ILE   5           HB       ILE   5  -1.733  -2.217  -7.560
   35   1HG1  ILE   5          1HG1      ILE   5  -2.459  -1.135  -9.857
   36   2HG1  ILE   5          2HG1      ILE   5  -1.926  -2.644 -10.577
   37   1HG2  ILE   5          1HG2      ILE   5  -0.799  -0.210  -8.693
   38   2HG2  ILE   5          2HG2      ILE   5   0.446  -1.132  -7.874
   39   3HG2  ILE   5          3HG2      ILE   5   0.282  -1.253  -9.643
   40   1HD1  ILE   5          1HD1      ILE   5  -3.640  -3.829  -9.180
   41   2HD1  ILE   5          2HD1      ILE   5  -4.082  -2.258  -8.460
   42   3HD1  ILE   5          3HD1      ILE   5  -4.347  -2.561 -10.187
   43    H    ASN   6           H        ASN   6   1.776  -3.440  -9.461
   44    HA   ASN   6           HA       ASN   6   3.108  -3.053  -6.850
   45   1HB   ASN   6          1HB       ASN   6   5.227  -3.814  -8.131
   46   2HB   ASN   6          2HB       ASN   6   4.098  -5.039  -7.567
   47   1HD2  ASN   6          1HD2      ASN   6   4.217  -2.985 -10.595
   48   2HD2  ASN   6          2HD2      ASN   6   3.950  -4.393 -11.623
   49    H    LEU   7           H        LEU   7   4.391  -1.280  -6.684
   50    HA   LEU   7           HA       LEU   7   5.037   0.543  -8.852
   51   1HB   LEU   7          1HB       LEU   7   3.539   2.267  -8.378
   52   2HB   LEU   7          2HB       LEU   7   2.573   0.830  -8.570
   53    HG   LEU   7           HG       LEU   7   3.167   2.382  -6.034
   54   1HD1  LEU   7          1HD1      LEU   7   1.371   3.193  -7.484
   55   2HD1  LEU   7          2HD1      LEU   7   0.602   1.590  -7.469
   56   3HD1  LEU   7          3HD1      LEU   7   0.700   2.533  -5.974
   57   1HD2  LEU   7          1HD2      LEU   7   1.785  -0.335  -6.162
   58   2HD2  LEU   7          2HD2      LEU   7   3.287   0.055  -5.298
   59   3HD2  LEU   7          3HD2      LEU   7   1.763   0.765  -4.768
   60    H    GLN   8           H        GLN   8   5.702   2.797  -7.631
   61    HA   GLN   8           HA       GLN   8   7.251   2.097  -5.175
   62   1HB   GLN   8          1HB       GLN   8   7.779   4.052  -7.413
   63   2HB   GLN   8          2HB       GLN   8   8.354   4.401  -5.777
   64   1HG   GLN   8          1HG       GLN   8   9.677   2.394  -5.696
   65   2HG   GLN   8          2HG       GLN   8   9.002   1.810  -7.212
   66   1HE2  GLN   8          1HE2      GLN   8  10.810   4.811  -5.949
   67   2HE2  GLN   8          2HE2      GLN   8  11.777   4.844  -7.414
   68    H    LEU   9           H        LEU   9   7.334   3.704  -3.524
   69    HA   LEU   9           HA       LEU   9   4.769   5.193  -3.336
   70   1HB   LEU   9          1HB       LEU   9   5.257   2.972  -1.963
   71   2HB   LEU   9          2HB       LEU   9   6.243   4.025  -0.969
   72    HG   LEU   9           HG       LEU   9   4.118   5.542  -0.845
   73   1HD1  LEU   9          1HD1      LEU   9   2.714   2.952  -1.599
   74   2HD1  LEU   9          2HD1      LEU   9   2.014   4.567  -1.293
   75   3HD1  LEU   9          3HD1      LEU   9   2.955   4.267  -2.750
   76   1HD2  LEU   9          1HD2      LEU   9   3.166   4.249   1.002
   77   2HD2  LEU   9          2HD2      LEU   9   3.997   2.778   0.448
   78   3HD2  LEU   9          3HD2      LEU   9   4.933   4.147   1.067
   79    H    GLU  10           H        GLU  10   4.733   7.104  -2.190
   80    HA   GLU  10           HA       GLU  10   7.235   8.686  -2.553
   81   1HB   GLU  10          1HB       GLU  10   5.516   8.796  -4.301
   82   2HB   GLU  10          2HB       GLU  10   4.302   9.244  -3.124
   83   1HG   GLU  10          1HG       GLU  10   5.122  11.412  -2.851
   84   2HG   GLU  10          2HG       GLU  10   6.733  10.989  -3.449
   85    H    GLY  11           H        GLY  11   7.702  10.282  -1.052
   86   1HA   GLY  11          1HA       GLY  11   7.662  11.410   0.991
   87   2HA   GLY  11          2HA       GLY  11   5.957  10.948   1.199
   88    H    MET  12           H        MET  12   6.964   8.049   0.683
   89    HA   MET  12           HA       MET  12   6.815   7.109   3.236
   90   1HB   MET  12          1HB       MET  12   7.267   4.956   2.404
   91   2HB   MET  12          2HB       MET  12   6.376   5.873   1.200
   92   1HG   MET  12          1HG       MET  12   7.877   5.129  -0.293
   93   2HG   MET  12          2HG       MET  12   8.952   6.322   0.361
   94   1HE   MET  12          1HE       MET  12   7.658   2.727   1.715
   95   2HE   MET  12          2HE       MET  12   7.959   2.634  -0.037
   96   3HE   MET  12          3HE       MET  12   8.998   1.747   1.080
   97    H    ARG  13           H        ARG  13   8.031   8.050   4.782
   98    HA   ARG  13           HA       ARG  13  10.865   7.231   5.075
   99   1HB   ARG  13          1HB       ARG  13   9.959  10.145   5.061
  100   2HB   ARG  13          2HB       ARG  13  11.564   9.578   5.480
  101   1HG   ARG  13          1HG       ARG  13  10.305   9.434   2.705
  102   2HG   ARG  13          2HG       ARG  13  11.428  10.649   3.273
  103   1HD   ARG  13          1HD       ARG  13  13.197   8.978   3.541
  104   2HD   ARG  13          2HD       ARG  13  12.128   7.691   3.014
  105    HE   ARG  13           HE       ARG  13  13.362   9.811   1.375
  106   1HH1  ARG  13          1HH1      ARG  13  10.995   7.095   1.252
  107   2HH1  ARG  13          2HH1      ARG  13  11.114   7.090  -0.513
  108   1HH2  ARG  13          1HH2      ARG  13  13.324   9.583  -0.915
  109   2HH2  ARG  13          2HH2      ARG  13  12.229   8.375  -1.594
  110    H    CYS  14           H        CYS  14  11.075   6.595   7.097
  111    HA   CYS  14           HA       CYS  14  11.086   6.450   9.354
  112   1HB   CYS  14          1HB       CYS  14  11.664   8.978   8.886
  113   2HB   CYS  14          2HB       CYS  14  10.062   9.293   9.562
  114    HG   CYS  14           HG       CYS  14  12.694   7.706  10.867
  115    H    ALA  15           H        ALA  15   9.644   7.277  11.439
  116    HA   ALA  15           HA       ALA  15   7.890   6.691  12.757
  117   1HB   ALA  15          1HB       ALA  15   6.931   8.601  11.457
  118   2HB   ALA  15          2HB       ALA  15   6.200   7.446  10.334
  119   3HB   ALA  15          3HB       ALA  15   5.697   7.481  12.037
  120    H    ALA  16           H        ALA  16   5.535   5.469  12.621
  121    HA   ALA  16           HA       ALA  16   6.115   2.684  11.826
  122   1HB   ALA  16          1HB       ALA  16   5.109   3.192  14.034
  123   2HB   ALA  16          2HB       ALA  16   3.718   3.965  13.234
  124   3HB   ALA  16          3HB       ALA  16   4.009   2.225  13.034
  125    H    CYS  17           H        CYS  17   4.663   5.423  10.385
  126    HA   CYS  17           HA       CYS  17   2.391   4.770   9.143
  127   1HB   CYS  17          1HB       CYS  17   4.773   6.387   8.162
  128   2HB   CYS  17          2HB       CYS  17   3.187   6.416   7.385
  129    HG   CYS  17           HG       CYS  17   2.967   8.453   8.673
  130    H    ALA  18           H        ALA  18   5.567   3.557   7.938
  131    HA   ALA  18           HA       ALA  18   4.530   2.758   5.375
  132   1HB   ALA  18          1HB       ALA  18   6.663   1.519   5.194
  133   2HB   ALA  18          2HB       ALA  18   6.914   3.176   5.771
  134   3HB   ALA  18          3HB       ALA  18   6.992   1.813   6.912
  135    H    SER  19           H        SER  19   5.424   0.547   8.130
  136    HA   SER  19           HA       SER  19   3.828  -1.559   6.850
  137   1HB   SER  19          1HB       SER  19   5.940  -1.805   8.359
  138   2HB   SER  19          2HB       SER  19   4.752  -1.812   9.683
  139    HG   SER  19           HG       SER  19   4.717  -3.502   7.331
  140    H    SER  20           H        SER  20   3.044   1.006   9.051
  141    HA   SER  20           HA       SER  20   0.475   0.030   9.896
  142   1HB   SER  20          1HB       SER  20   1.549   1.996  10.883
  143   2HB   SER  20          2HB       SER  20   1.442   2.849   9.335
  144    HG   SER  20           HG       SER  20  -0.833   2.605   9.483
  145    H    ILE  21           H        ILE  21   1.570   0.811   6.680
  146    HA   ILE  21           HA       ILE  21  -1.144   0.989   5.500
  147    HB   ILE  21           HB       ILE  21   1.569   0.324   4.272
  148   1HG1  ILE  21          1HG1      ILE  21  -0.090   2.835   3.862
  149   2HG1  ILE  21          2HG1      ILE  21   1.100   2.726   5.139
  150   1HG2  ILE  21          1HG2      ILE  21   0.367   0.674   2.077
  151   2HG2  ILE  21          2HG2      ILE  21  -0.044  -0.793   2.944
  152   3HG2  ILE  21          3HG2      ILE  21  -1.153   0.590   2.984
  153   1HD1  ILE  21          1HD1      ILE  21   2.900   2.353   3.538
  154   2HD1  ILE  21          2HD1      ILE  21   1.750   2.395   2.190
  155   3HD1  ILE  21          3HD1      ILE  21   2.004   3.842   3.172
  156    H    GLU  22           H        GLU  22   1.388  -1.532   5.410
  157    HA   GLU  22           HA       GLU  22  -0.053  -3.590   4.358
  158   1HB   GLU  22          1HB       GLU  22   2.131  -3.784   6.475
  159   2HB   GLU  22          2HB       GLU  22   1.625  -5.105   5.413
  160   1HG   GLU  22          1HG       GLU  22   2.366  -3.895   3.433
  161   2HG   GLU  22          2HG       GLU  22   2.710  -2.452   4.388
  162    H    ARG  23           H        ARG  23   0.288  -3.034   7.899
  163    HA   ARG  23           HA       ARG  23  -1.444  -5.226   8.572
  164   1HB   ARG  23          1HB       ARG  23   0.506  -4.247   9.857
  165   2HB   ARG  23          2HB       ARG  23  -0.559  -2.942  10.382
  166   1HG   ARG  23          1HG       ARG  23  -2.022  -4.481  11.537
  167   2HG   ARG  23          2HG       ARG  23  -1.284  -5.885  10.747
  168   1HD   ARG  23          1HD       ARG  23   0.831  -5.457  11.958
  169   2HD   ARG  23          2HD       ARG  23   0.062  -4.088  12.796
  170    HE   ARG  23           HE       ARG  23  -1.595  -6.358  13.114
  171   1HH1  ARG  23          1HH1      ARG  23   1.631  -5.409  14.181
  172   2HH1  ARG  23          2HH1      ARG  23   1.575  -6.418  15.596
  173   1HH2  ARG  23          1HH2      ARG  23  -1.618  -7.653  14.943
  174   2HH2  ARG  23          2HH2      ARG  23  -0.261  -7.660  16.025
  175    H    ALA  24           H        ALA  24  -2.191  -2.060   7.584
  176    HA   ALA  24           HA       ALA  24  -4.903  -2.090   8.823
  177   1HB   ALA  24          1HB       ALA  24  -3.779   0.082   8.635
  178   2HB   ALA  24          2HB       ALA  24  -3.616  -0.122   6.875
  179   3HB   ALA  24          3HB       ALA  24  -5.226   0.034   7.601
  180    H    ILE  25           H        ILE  25  -3.319  -2.534   5.636
  181    HA   ILE  25           HA       ILE  25  -5.770  -3.168   4.193
  182    HB   ILE  25           HB       ILE  25  -2.869  -3.886   3.611
  183   1HG1  ILE  25          1HG1      ILE  25  -4.602  -1.696   2.381
  184   2HG1  ILE  25          2HG1      ILE  25  -3.410  -1.411   3.649
  185   1HG2  ILE  25          1HG2      ILE  25  -4.394  -5.438   2.444
  186   2HG2  ILE  25          2HG2      ILE  25  -5.372  -4.077   1.857
  187   3HG2  ILE  25          3HG2      ILE  25  -3.709  -4.340   1.291
  188   1HD1  ILE  25          1HD1      ILE  25  -2.420  -0.839   1.531
  189   2HD1  ILE  25          2HD1      ILE  25  -1.616  -2.298   2.158
  190   3HD1  ILE  25          3HD1      ILE  25  -2.799  -2.416   0.845
  191    H    ALA  26           H        ALA  26  -3.455  -5.126   6.059
  192    HA   ALA  26           HA       ALA  26  -4.472  -7.683   5.652
  193   1HB   ALA  26          1HB       ALA  26  -3.585  -6.440   8.290
  194   2HB   ALA  26          2HB       ALA  26  -3.590  -8.169   7.889
  195   3HB   ALA  26          3HB       ALA  26  -2.494  -7.073   7.028
  196    H    LYS  27           H        LYS  27  -6.357  -5.104   6.935
  197    HA   LYS  27           HA       LYS  27  -8.354  -6.919   8.199
  198   1HB   LYS  27          1HB       LYS  27  -8.348  -3.921   7.971
  199   2HB   LYS  27          2HB       LYS  27  -9.475  -4.944   8.874
  200   1HG   LYS  27          1HG       LYS  27  -7.421  -5.835  10.179
  201   2HG   LYS  27          2HG       LYS  27  -6.515  -4.490   9.433
  202   1HD   LYS  27          1HD       LYS  27  -8.449  -3.012  10.200
  203   2HD   LYS  27          2HD       LYS  27  -8.963  -4.360  11.227
  204   1HE   LYS  27          1HE       LYS  27  -6.707  -4.381  12.305
  205   2HE   LYS  27          2HE       LYS  27  -6.220  -3.004  11.309
  206   1HZ   LYS  27          1HZ       LYS  27  -7.003  -2.288  13.510
  207   2HZ   LYS  27          2HZ       LYS  27  -8.014  -1.717  12.347
  208   3HZ   LYS  27          3HZ       LYS  27  -8.465  -3.000  13.263
  209    H    VAL  28           H        VAL  28  -7.717  -5.743   5.055
  210    HA   VAL  28           HA       VAL  28 -10.521  -5.209   4.357
  211    HB   VAL  28           HB       VAL  28  -8.302  -3.993   3.464
  212   1HG1  VAL  28          1HG1      VAL  28  -7.382  -5.901   2.187
  213   2HG1  VAL  28          2HG1      VAL  28  -8.822  -5.888   1.148
  214   3HG1  VAL  28          3HG1      VAL  28  -7.730  -4.495   1.185
  215   1HG2  VAL  28          1HG2      VAL  28 -10.658  -3.307   3.086
  216   2HG2  VAL  28          2HG2      VAL  28  -9.639  -3.052   1.663
  217   3HG2  VAL  28          3HG2      VAL  28 -10.749  -4.434   1.712
  218    HA   PRO  29           HA       PRO  29 -11.127  -9.410   3.413
  219   1HB   PRO  29          1HB       PRO  29 -13.421  -9.364   1.835
  220   2HB   PRO  29          2HB       PRO  29 -13.393  -9.160   3.613
  221   1HG   PRO  29          1HG       PRO  29 -13.421  -6.995   1.488
  222   2HG   PRO  29          2HG       PRO  29 -14.449  -7.124   2.953
  223   1HD   PRO  29          1HD       PRO  29 -12.255  -5.556   2.945
  224   2HD   PRO  29          2HD       PRO  29 -12.631  -6.549   4.382
  225    H    GLY  30           H        GLY  30 -10.580  -7.093   0.856
  226   1HA   GLY  30          1HA       GLY  30 -10.242  -9.052  -1.271
  227   2HA   GLY  30          2HA       GLY  30  -9.820  -7.323  -1.313
  228    H    VAL  31           H        VAL  31  -8.120  -8.230   1.349
  229    HA   VAL  31           HA       VAL  31  -5.614  -8.174  -0.117
  230    HB   VAL  31           HB       VAL  31  -5.823  -7.308   2.158
  231   1HG1  VAL  31          1HG1      VAL  31  -5.461 -10.075   3.321
  232   2HG1  VAL  31          2HG1      VAL  31  -5.862  -8.553   4.133
  233   3HG1  VAL  31          3HG1      VAL  31  -7.076  -9.384   3.150
  234   1HG2  VAL  31          1HG2      VAL  31  -3.657  -9.406   1.808
  235   2HG2  VAL  31          2HG2      VAL  31  -3.651  -7.767   1.123
  236   3HG2  VAL  31          3HG2      VAL  31  -3.603  -7.998   2.882
  237    H    GLN  32           H        GLN  32  -4.870  -9.796  -1.272
  238    HA   GLN  32           HA       GLN  32  -4.737 -12.493   0.031
  239   1HB   GLN  32          1HB       GLN  32  -4.788 -13.570  -2.011
  240   2HB   GLN  32          2HB       GLN  32  -6.026 -12.343  -2.149
  241   1HG   GLN  32          1HG       GLN  32  -5.093 -11.742  -4.115
  242   2HG   GLN  32          2HG       GLN  32  -3.754 -11.062  -3.216
  243   1HE2  GLN  32          1HE2      GLN  32  -1.884 -12.599  -2.721
  244   2HE2  GLN  32          2HE2      GLN  32  -1.550 -13.864  -3.876
  245    H    SER  33           H        SER  33  -2.923  -9.691  -0.641
  246    HA   SER  33           HA       SER  33  -0.763 -10.703   0.808
  247   1HB   SER  33          1HB       SER  33  -0.288 -10.728  -2.184
  248   2HB   SER  33          2HB       SER  33   1.030 -10.367  -1.059
  249    HG   SER  33           HG       SER  33  -0.590 -12.661  -0.740
  250    H    CYS  34           H        CYS  34   0.504  -9.079   1.524
  251    HA   CYS  34           HA       CYS  34   0.514  -6.387   0.222
  252   1HB   CYS  34          1HB       CYS  34   0.683  -7.127   3.211
  253   2HB   CYS  34          2HB       CYS  34   0.968  -5.511   2.550
  254    HG   CYS  34           HG       CYS  34  -1.386  -5.682   3.808
  255    H    GLN  35           H        GLN  35   2.582  -5.409   0.281
  256    HA   GLN  35           HA       GLN  35   4.822  -6.196   1.843
  257   1HB   GLN  35          1HB       GLN  35   4.521  -7.332  -0.920
  258   2HB   GLN  35          2HB       GLN  35   6.069  -6.583  -0.594
  259   1HG   GLN  35          1HG       GLN  35   6.763  -8.199   0.783
  260   2HG   GLN  35          2HG       GLN  35   5.213  -8.469   1.539
  261   1HE2  GLN  35          1HE2      GLN  35   3.538  -9.680   0.206
  262   2HE2  GLN  35          2HE2      GLN  35   4.159 -10.930  -0.895
  263    H    VAL  36           H        VAL  36   5.738  -4.203   2.177
  264    HA   VAL  36           HA       VAL  36   6.435  -2.616  -0.213
  265    HB   VAL  36           HB       VAL  36   4.666  -1.271   0.528
  266   1HG1  VAL  36          1HG1      VAL  36   4.101  -2.156   2.629
  267   2HG1  VAL  36          2HG1      VAL  36   5.615  -1.589   3.391
  268   3HG1  VAL  36          3HG1      VAL  36   4.370  -0.435   2.857
  269   1HG2  VAL  36          1HG2      VAL  36   6.702   0.095   0.142
  270   2HG2  VAL  36          2HG2      VAL  36   5.637   0.820   1.332
  271   3HG2  VAL  36          3HG2      VAL  36   7.104  -0.017   1.868
  272    H    ASN  37           H        ASN  37   8.435  -1.917  -0.280
  273    HA   ASN  37           HA       ASN  37  10.253  -3.118   1.758
  274   1HB   ASN  37          1HB       ASN  37  10.381  -3.886  -0.607
  275   2HB   ASN  37          2HB       ASN  37  10.791  -2.244  -1.109
  276   1HD2  ASN  37          1HD2      ASN  37  12.063  -5.220   0.215
  277   2HD2  ASN  37          2HD2      ASN  37  13.687  -4.603   0.474
  278    H    PHE  38           H        PHE  38  10.729  -1.659   3.302
  279    HA   PHE  38           HA       PHE  38  10.590   1.146   2.764
  280   1HB   PHE  38          1HB       PHE  38   9.805  -0.223   4.813
  281   2HB   PHE  38          2HB       PHE  38  11.462  -0.116   5.376
  282    HD1  PHE  38           HD1      PHE  38  10.480   2.983   3.663
  283    HD2  PHE  38           HD2      PHE  38  10.099   0.780   7.364
  284    HE1  PHE  38           HE1      PHE  38   9.722   5.005   4.791
  285    HE2  PHE  38           HE2      PHE  38   9.338   2.858   8.499
  286    HZ   PHE  38           HZ       PHE  38   9.096   4.950   7.199
  287    H    ALA  39           H        ALA  39  12.656   0.176   1.251
  288    HA   ALA  39           HA       ALA  39  14.929   1.841   2.079
  289   1HB   ALA  39          1HB       ALA  39  15.236  -1.149   1.513
  290   2HB   ALA  39          2HB       ALA  39  16.560   0.014   1.747
  291   3HB   ALA  39          3HB       ALA  39  15.463  -0.355   3.090
  292    H    LEU  40           H        LEU  40  13.470  -0.335  -0.469
  293    HA   LEU  40           HA       LEU  40  14.654   1.399  -2.525
  294   1HB   LEU  40          1HB       LEU  40  15.611  -0.733  -2.538
  295   2HB   LEU  40          2HB       LEU  40  14.126  -1.533  -2.070
  296    HG   LEU  40           HG       LEU  40  13.189  -1.253  -4.194
  297   1HD1  LEU  40          1HD1      LEU  40  14.570  -0.596  -6.188
  298   2HD1  LEU  40          2HD1      LEU  40  14.516   0.759  -5.052
  299   3HD1  LEU  40          3HD1      LEU  40  15.953  -0.268  -5.124
  300   1HD2  LEU  40          1HD2      LEU  40  15.905  -2.622  -4.243
  301   2HD2  LEU  40          2HD2      LEU  40  14.391  -3.308  -3.617
  302   3HD2  LEU  40          3HD2      LEU  40  14.558  -2.971  -5.349
  303    H    GLU  41           H        GLU  41  12.038   1.715  -0.973
  304    HA   GLU  41           HA       GLU  41  10.098   2.765  -1.302
  305   1HB   GLU  41          1HB       GLU  41  11.280   3.342  -4.045
  306   2HB   GLU  41          2HB       GLU  41   9.738   3.976  -3.488
  307   1HG   GLU  41          1HG       GLU  41  11.018   4.889  -1.441
  308   2HG   GLU  41          2HG       GLU  41  12.474   4.613  -2.401
  309    H    GLN  42           H        GLN  42  10.434  -0.039  -3.403
  310    HA   GLN  42           HA       GLN  42   7.889   0.309  -4.595
  311   1HB   GLN  42          1HB       GLN  42   7.934  -1.827  -5.428
  312   2HB   GLN  42          2HB       GLN  42   9.588  -1.292  -5.391
  313   1HG   GLN  42          1HG       GLN  42   9.204  -2.635  -2.870
  314   2HG   GLN  42          2HG       GLN  42   8.187  -3.541  -3.958
  315   1HE2  GLN  42          1HE2      GLN  42  11.473  -2.520  -3.195
  316   2HE2  GLN  42          2HE2      GLN  42  12.256  -3.642  -4.309
  317    H    ALA  43           H        ALA  43   5.905  -0.524  -4.294
  318    HA   ALA  43           HA       ALA  43   5.379  -2.259  -1.951
  319   1HB   ALA  43          1HB       ALA  43   3.455  -0.142  -3.017
  320   2HB   ALA  43          2HB       ALA  43   3.122  -1.308  -1.720
  321   3HB   ALA  43          3HB       ALA  43   4.338  -0.035  -1.484
  322    H    VAL  44           H        VAL  44   3.946  -3.929  -2.328
  323    HA   VAL  44           HA       VAL  44   2.601  -4.046  -4.918
  324    HB   VAL  44           HB       VAL  44   4.483  -5.534  -5.315
  325   1HG1  VAL  44          1HG1      VAL  44   4.896  -7.596  -4.145
  326   2HG1  VAL  44          2HG1      VAL  44   4.997  -6.251  -3.002
  327   3HG1  VAL  44          3HG1      VAL  44   3.554  -7.301  -3.030
  328   1HG2  VAL  44          1HG2      VAL  44   2.273  -6.074  -6.326
  329   2HG2  VAL  44          2HG2      VAL  44   3.282  -7.504  -6.075
  330   3HG2  VAL  44          3HG2      VAL  44   1.936  -7.172  -4.971
  331    H    VAL  45           H        VAL  45   0.520  -4.590  -4.722
  332    HA   VAL  45           HA       VAL  45  -0.275  -6.252  -2.427
  333    HB   VAL  45           HB       VAL  45  -1.950  -3.792  -2.856
  334   1HG1  VAL  45          1HG1      VAL  45  -1.675  -5.575  -0.410
  335   2HG1  VAL  45          2HG1      VAL  45  -2.841  -4.281  -0.672
  336   3HG1  VAL  45          3HG1      VAL  45  -2.950  -5.749  -1.636
  337   1HG2  VAL  45          1HG2      VAL  45   0.228  -3.988  -0.756
  338   2HG2  VAL  45          2HG2      VAL  45   0.202  -2.879  -2.153
  339   3HG2  VAL  45          3HG2      VAL  45  -1.004  -2.715  -0.877
  340    H    SER  46           H        SER  46  -1.795  -7.573  -2.880
  341    HA   SER  46           HA       SER  46  -3.679  -6.907  -5.072
  342   1HB   SER  46          1HB       SER  46  -2.859  -8.534  -6.144
  343   2HB   SER  46          2HB       SER  46  -2.303  -9.526  -4.869
  344    HG   SER  46           HG       SER  46  -4.689  -9.274  -6.247
  345    H    TYR  47           H        TYR  47  -4.761  -5.790  -3.836
  346    HA   TYR  47           HA       TYR  47  -6.459  -7.018  -1.749
  347   1HB   TYR  47          1HB       TYR  47  -7.083  -4.608  -1.174
  348   2HB   TYR  47          2HB       TYR  47  -5.560  -5.281  -0.672
  349    HD1  TYR  47           HD1      TYR  47  -5.240  -2.804  -0.106
  350    HD2  TYR  47           HD2      TYR  47  -5.422  -4.230  -4.147
  351    HE1  TYR  47           HE1      TYR  47  -3.761  -0.942  -0.825
  352    HE2  TYR  47           HE2      TYR  47  -3.769  -2.484  -4.834
  353    HH   TYR  47           HH       TYR  47  -2.676   0.033  -2.603
  354    H    HIS  48           H        HIS  48  -6.689  -7.409  -4.607
  355    HA   HIS  48           HA       HIS  48  -9.220  -6.008  -5.378
  356   1HB   HIS  48          1HB       HIS  48  -7.170  -7.302  -7.194
  357   2HB   HIS  48          2HB       HIS  48  -8.496  -6.234  -7.646
  358    HD2  HIS  48           HD2      HIS  48  -4.899  -6.275  -6.691
  359    HE1  HIS  48           HE1      HIS  48  -6.007  -2.162  -6.420
  360    HE2  HIS  48           HE2      HIS  48  -4.026  -3.779  -6.549
  361    H    GLY  49           H        GLY  49 -10.328  -7.663  -4.021
  362   1HA   GLY  49          1HA       GLY  49 -10.572 -10.414  -5.093
  363   2HA   GLY  49          2HA       GLY  49 -11.474  -9.707  -3.728
  364    H    GLU  50           H        GLU  50 -13.210  -8.246  -4.211
  365    HA   GLU  50           HA       GLU  50 -14.543  -8.515  -6.836
  366   1HB   GLU  50          1HB       GLU  50 -15.309  -6.968  -4.330
  367   2HB   GLU  50          2HB       GLU  50 -16.287  -7.102  -5.801
  368   1HG   GLU  50          1HG       GLU  50 -16.361  -9.582  -5.514
  369   2HG   GLU  50          2HG       GLU  50 -15.532  -9.404  -3.959
  370    H    THR  51           H        THR  51 -15.525  -5.820  -7.010
  371    HA   THR  51           HA       THR  51 -13.287  -4.711  -8.478
  372    HB   THR  51           HB       THR  51 -14.949  -3.030  -9.233
  373    HG1  THR  51           HG1      THR  51 -16.100  -3.052  -7.278
  374   1HG2  THR  51          1HG2      THR  51 -16.047  -5.876  -9.341
  375   2HG2  THR  51          2HG2      THR  51 -16.414  -4.543 -10.453
  376   3HG2  THR  51          3HG2      THR  51 -14.776  -5.228 -10.405
  377    H    THR  52           H        THR  52 -11.987  -4.454  -6.470
  378    HA   THR  52           HA       THR  52 -12.243  -2.307  -4.680
  379    HB   THR  52           HB       THR  52  -9.786  -3.580  -5.910
  380    HG1  THR  52           HG1      THR  52  -9.861  -4.520  -3.758
  381   1HG2  THR  52          1HG2      THR  52  -9.957  -1.694  -3.508
  382   2HG2  THR  52          2HG2      THR  52  -8.544  -2.682  -3.953
  383   3HG2  THR  52          3HG2      THR  52  -9.074  -1.389  -5.028
  384    HA   PRO  53           HA       PRO  53 -11.530   1.058  -7.697
  385   1HB   PRO  53          1HB       PRO  53 -12.887   3.039  -6.497
  386   2HB   PRO  53          2HB       PRO  53 -13.748   1.577  -7.047
  387   1HG   PRO  53          1HG       PRO  53 -12.737   2.176  -4.253
  388   2HG   PRO  53          2HG       PRO  53 -14.382   1.656  -4.735
  389   1HD   PRO  53          1HD       PRO  53 -12.376  -0.088  -3.896
  390   2HD   PRO  53          2HD       PRO  53 -13.705  -0.552  -4.997
  391    H    GLN  54           H        GLN  54 -11.114   3.745  -6.383
  392    HA   GLN  54           HA       GLN  54  -8.322   3.583  -5.945
  393   1HB   GLN  54          1HB       GLN  54  -9.584   5.504  -6.900
  394   2HB   GLN  54          2HB       GLN  54 -10.150   5.920  -5.274
  395   1HG   GLN  54          1HG       GLN  54  -7.923   6.473  -4.552
  396   2HG   GLN  54          2HG       GLN  54  -7.194   5.614  -5.917
  397   1HE2  GLN  54          1HE2      GLN  54  -5.923   7.641  -6.222
  398   2HE2  GLN  54          2HE2      GLN  54  -6.745   8.956  -7.073
  399    H    ILE  55           H        ILE  55 -10.463   2.422  -3.763
  400    HA   ILE  55           HA       ILE  55  -9.315   3.184  -1.225
  401    HB   ILE  55           HB       ILE  55 -10.617   0.624  -2.201
  402   1HG1  ILE  55          1HG1      ILE  55 -12.139   2.555  -2.135
  403   2HG1  ILE  55          2HG1      ILE  55 -12.574   1.339  -0.952
  404   1HG2  ILE  55          1HG2      ILE  55  -9.738   1.313   0.626
  405   2HG2  ILE  55          2HG2      ILE  55 -10.915   0.041   0.228
  406   3HG2  ILE  55          3HG2      ILE  55  -9.255  -0.081  -0.358
  407   1HD1  ILE  55          1HD1      ILE  55 -12.858   3.577  -0.035
  408   2HD1  ILE  55          2HD1      ILE  55 -11.566   2.756   0.852
  409   3HD1  ILE  55          3HD1      ILE  55 -11.173   3.990  -0.369
  410    H    LEU  56           H        LEU  56  -8.108   1.230  -3.849
  411    HA   LEU  56           HA       LEU  56  -5.944  -0.076  -2.551
  412   1HB   LEU  56          1HB       LEU  56  -5.046  -0.349  -4.759
  413   2HB   LEU  56          2HB       LEU  56  -6.781  -0.486  -4.852
  414    HG   LEU  56           HG       LEU  56  -6.562   2.115  -5.564
  415   1HD1  LEU  56          1HD1      LEU  56  -4.548   2.485  -6.938
  416   2HD1  LEU  56          2HD1      LEU  56  -4.026   2.121  -5.286
  417   3HD1  LEU  56          3HD1      LEU  56  -3.928   0.875  -6.528
  418   1HD2  LEU  56          1HD2      LEU  56  -6.592   1.411  -7.901
  419   2HD2  LEU  56          2HD2      LEU  56  -5.892  -0.165  -7.482
  420   3HD2  LEU  56          3HD2      LEU  56  -7.530   0.253  -6.949
  421    H    THR  57           H        THR  57  -6.304   3.217  -3.647
  422    HA   THR  57           HA       THR  57  -3.571   4.033  -2.870
  423    HB   THR  57           HB       THR  57  -5.798   5.841  -3.874
  424    HG1  THR  57           HG1      THR  57  -3.969   4.202  -5.254
  425   1HG2  THR  57          1HG2      THR  57  -3.885   7.178  -4.740
  426   2HG2  THR  57          2HG2      THR  57  -3.820   7.013  -2.985
  427   3HG2  THR  57          3HG2      THR  57  -2.752   6.027  -3.996
  428    H    ASP  58           H        ASP  58  -6.958   4.616  -1.800
  429    HA   ASP  58           HA       ASP  58  -6.650   6.492   0.212
  430   1HB   ASP  58          1HB       ASP  58  -8.741   5.318  -0.484
  431   2HB   ASP  58          2HB       ASP  58  -8.187   3.876   0.382
  432    H    ALA  59           H        ALA  59  -6.003   2.990   0.534
  433    HA   ALA  59           HA       ALA  59  -4.970   3.240   3.158
  434   1HB   ALA  59          1HB       ALA  59  -4.409   0.847   2.906
  435   2HB   ALA  59          2HB       ALA  59  -5.996   1.170   2.174
  436   3HB   ALA  59          3HB       ALA  59  -4.561   0.980   1.136
  437    H    VAL  60           H        VAL  60  -3.363   4.357   0.501
  438    HA   VAL  60           HA       VAL  60  -0.792   4.263   2.073
  439    HB   VAL  60           HB       VAL  60   0.353   5.195   0.257
  440   1HG1  VAL  60          1HG1      VAL  60   0.286   2.741   0.476
  441   2HG1  VAL  60          2HG1      VAL  60  -1.205   2.656  -0.478
  442   3HG1  VAL  60          3HG1      VAL  60   0.295   3.128  -1.254
  443   1HG2  VAL  60          1HG2      VAL  60  -1.479   6.372  -1.028
  444   2HG2  VAL  60          2HG2      VAL  60  -0.253   5.511  -1.954
  445   3HG2  VAL  60          3HG2      VAL  60  -1.834   4.774  -1.746
  446    H    GLU  61           H        GLU  61  -3.244   6.350   0.771
  447    HA   GLU  61           HA       GLU  61  -2.136   8.916   1.378
  448   1HB   GLU  61          1HB       GLU  61  -5.057   8.066   1.458
  449   2HB   GLU  61          2HB       GLU  61  -4.488   9.722   1.461
  450   1HG   GLU  61          1HG       GLU  61  -4.010   7.741  -0.799
  451   2HG   GLU  61          2HG       GLU  61  -5.326   8.904  -0.751
  452    H    ARG  62           H        ARG  62  -4.194   6.770   3.357
  453    HA   ARG  62           HA       ARG  62  -4.357   8.001   5.802
  454   1HB   ARG  62          1HB       ARG  62  -4.576   5.771   6.748
  455   2HB   ARG  62          2HB       ARG  62  -5.298   5.805   5.152
  456   1HG   ARG  62          1HG       ARG  62  -4.166   3.796   5.121
  457   2HG   ARG  62          2HG       ARG  62  -3.076   4.878   4.276
  458   1HD   ARG  62          1HD       ARG  62  -1.681   3.539   5.523
  459   2HD   ARG  62          2HD       ARG  62  -1.694   4.963   6.508
  460    HE   ARG  62           HE       ARG  62  -2.788   2.348   7.107
  461   1HH1  ARG  62          1HH1      ARG  62  -2.752   5.753   8.255
  462   2HH1  ARG  62          2HH1      ARG  62  -3.131   5.254   9.870
  463   1HH2  ARG  62          1HH2      ARG  62  -3.196   1.859   9.172
  464   2HH2  ARG  62          2HH2      ARG  62  -3.415   3.102  10.382
  465    H    ALA  63           H        ALA  63  -1.340   7.056   4.411
  466    HA   ALA  63           HA       ALA  63   0.061   6.838   7.047
  467   1HB   ALA  63          1HB       ALA  63   1.843   5.808   5.764
  468   2HB   ALA  63          2HB       ALA  63   0.329   5.048   5.261
  469   3HB   ALA  63          3HB       ALA  63   1.105   6.276   4.236
  470    H    GLY  64           H        GLY  64  -0.600   9.206   4.680
  471   1HA   GLY  64          1HA       GLY  64   0.247  11.402   4.528
  472   2HA   GLY  64          2HA       GLY  64   1.692  10.927   5.471
  473    H    TYR  65           H        TYR  65   0.923   8.530   3.176
  474    HA   TYR  65           HA       TYR  65   3.148   9.502   1.468
  475   1HB   TYR  65          1HB       TYR  65   2.340   6.663   2.096
  476   2HB   TYR  65          2HB       TYR  65   3.733   7.150   1.158
  477    HD1  TYR  65           HD1      TYR  65   4.446   9.542   3.273
  478    HD2  TYR  65           HD2      TYR  65   3.767   5.287   3.515
  479    HE1  TYR  65           HE1      TYR  65   5.876   9.442   5.276
  480    HE2  TYR  65           HE2      TYR  65   5.246   5.180   5.507
  481    HH   TYR  65           HH       TYR  65   6.900   8.040   6.862
  482    H    HIS  66           H        HIS  66   3.146   9.089  -0.739
  483    HA   HIS  66           HA       HIS  66   0.427   8.765  -1.960
  484   1HB   HIS  66          1HB       HIS  66   2.641  10.718  -2.387
  485   2HB   HIS  66          2HB       HIS  66   2.030  10.026  -3.876
  486    HD1  HIS  66           HD1      HIS  66  -0.036  11.201  -4.796
  487    HD2  HIS  66           HD2      HIS  66   0.193  11.142  -0.611
  488    HE1  HIS  66           HE1      HIS  66  -2.290  12.030  -3.894
  489    HE2  HIS  66           HE2      HIS  66  -2.130  11.866  -1.392
  490    H    ALA  67           H        ALA  67   0.287   7.802  -4.076
  491    HA   ALA  67           HA       ALA  67   2.197   5.535  -4.408
  492   1HB   ALA  67          1HB       ALA  67   0.362   4.754  -5.980
  493   2HB   ALA  67          2HB       ALA  67  -0.164   4.962  -4.300
  494   3HB   ALA  67          3HB       ALA  67  -0.577   6.175  -5.534
  495    H    ARG  68           H        ARG  68   3.759   5.549  -5.993
  496    HA   ARG  68           HA       ARG  68   3.466   7.458  -8.277
  497   1HB   ARG  68          1HB       ARG  68   5.948   7.708  -8.252
  498   2HB   ARG  68          2HB       ARG  68   5.088   8.469  -6.915
  499   1HG   ARG  68          1HG       ARG  68   5.767   6.743  -5.369
  500   2HG   ARG  68          2HG       ARG  68   6.373   5.750  -6.692
  501   1HD   ARG  68          1HD       ARG  68   8.163   6.702  -5.348
  502   2HD   ARG  68          2HD       ARG  68   8.259   7.125  -7.059
  503    HE   ARG  68           HE       ARG  68   6.986   9.323  -6.076
  504   1HH1  ARG  68          1HH1      ARG  68   9.919   7.694  -4.736
  505   2HH1  ARG  68          2HH1      ARG  68  10.575   9.199  -4.274
  506   1HH2  ARG  68          1HH2      ARG  68   7.901  11.103  -5.550
  507   2HH2  ARG  68          2HH2      ARG  68   9.515  11.197  -4.832
  508    H    VAL  69           H        VAL  69   3.654   6.637 -10.259
  509    HA   VAL  69           HA       VAL  69   4.268   3.795 -10.610
  510    HB   VAL  69           HB       VAL  69   3.652   4.496 -13.035
  511   1HG1  VAL  69          1HG1      VAL  69   2.271   3.059 -11.590
  512   2HG1  VAL  69          2HG1      VAL  69   1.550   4.497 -10.833
  513   3HG1  VAL  69          3HG1      VAL  69   1.253   4.145 -12.551
  514   1HG2  VAL  69          1HG2      VAL  69   2.296   6.828 -11.633
  515   2HG2  VAL  69          2HG2      VAL  69   3.686   6.965 -12.732
  516   3HG2  VAL  69          3HG2      VAL  69   2.138   6.358 -13.333
  517    H    LEU  70           H        LEU  70   6.155   3.053 -11.087
  518    HA   LEU  70           HA       LEU  70   8.323   4.854 -11.834
  519   1HB   LEU  70          1HB       LEU  70   9.725   3.052 -11.233
  520   2HB   LEU  70          2HB       LEU  70   8.514   3.235  -9.997
  521    HG   LEU  70           HG       LEU  70   7.889   1.225 -12.141
  522   1HD1  LEU  70          1HD1      LEU  70   9.322  -0.511 -11.110
  523   2HD1  LEU  70          2HD1      LEU  70  10.301   0.799 -11.787
  524   3HD1  LEU  70          3HD1      LEU  70  10.038   0.708 -10.032
  525   1HD2  LEU  70          1HD2      LEU  70   7.702   1.114  -9.109
  526   2HD2  LEU  70          2HD2      LEU  70   6.388   1.572 -10.214
  527   3HD2  LEU  70          3HD2      LEU  70   7.041  -0.072 -10.252
  528    H    LYS  71           H        LYS  71   6.393   4.403 -13.982
  529    HA   LYS  71           HA       LYS  71   8.320   3.558 -16.049
  530   1HB   LYS  71          1HB       LYS  71   6.900   1.524 -15.246
  531   2HB   LYS  71          2HB       LYS  71   5.563   2.290 -16.104
  532   1HG   LYS  71          1HG       LYS  71   7.439   2.405 -18.074
  533   2HG   LYS  71          2HG       LYS  71   8.143   1.097 -17.132
  534   1HD   LYS  71          1HD       LYS  71   6.811  -0.092 -18.638
  535   2HD   LYS  71          2HD       LYS  71   5.734   0.043 -17.248
  536   1HE   LYS  71          1HE       LYS  71   4.302   0.724 -18.972
  537   2HE   LYS  71          2HE       LYS  71   4.929   2.275 -18.400
  538   1HZ   LYS  71          1HZ       LYS  71   6.696   1.929 -20.214
  539   2HZ   LYS  71          2HZ       LYS  71   5.695   0.804 -20.845
  540   3HZ   LYS  71          3HZ       LYS  71   5.184   2.368 -20.707
  541    H    GLN  72           H        GLN  72   7.920   6.057 -15.844
  542    HA   GLN  72           HA       GLN  72   5.710   7.267 -17.206
  543   1HB   GLN  72          1HB       GLN  72   8.572   8.254 -16.788
  544   2HB   GLN  72          2HB       GLN  72   7.245   9.213 -17.429
  545   1HG   GLN  72          1HG       GLN  72   7.282   9.875 -15.240
  546   2HG   GLN  72          2HG       GLN  72   5.991   8.681 -15.215
  547   1HE2  GLN  72          1HE2      GLN  72   7.374   9.531 -12.861
  548   2HE2  GLN  72          2HE2      GLN  72   8.292   8.143 -12.303
  549    H    GLN  73           H        GLN  73   5.457   5.769 -18.985
  550    HA   GLN  73           HA       GLN  73   6.977   6.415 -21.458
  551   1HB   GLN  73          1HB       GLN  73   6.883   3.811 -19.949
  552   2HB   GLN  73          2HB       GLN  73   7.211   3.865 -21.692
  553   1HG   GLN  73          1HG       GLN  73   9.317   5.052 -21.232
  554   2HG   GLN  73          2HG       GLN  73   9.008   4.917 -19.487
  555   1HE2  GLN  73          1HE2      GLN  73  11.301   3.648 -20.588
  556   2HE2  GLN  73          2HE2      GLN  73  11.007   1.913 -20.591