*HEADER    ANTIMICROBIAL PROTEIN                   19-FEB-07   2OX2              
*TITLE     STRUCTURE OF THE CANTIONIC, ANTIMICROBIAL HEXAPEPTIDE                 
*TITLE    2 CYCLO(RRWWFR) BOUND TO DPC-MICELLES                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CRW2 PEPTIDE;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE PEPTIDE CHEMISTRY                         
*KEYWDS    ANTIMICROBIAL, CATIONIC PEPTIDE, ANTIMICROBIAL PROTEIN                
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    C.APPELT, A.WESSOLOWSKI, J.A.SODERHALL, M.DATHE, P.SCHMIEDER          
*REVDAT   1   25-DEC-07 2OX2    0                                                


#
#  AMBER restraint file
#  data derived from rwfddp_80ms.mdg 
#  Mon Mar  1 17:42:20 2004
#


# distance restraint 1 
# atom 1:           ARG 1 HA
# atom 2:           ARG 1 HB2

 &rst 
  iat= 4,  6, 
  r1=  1.25, r2=  1.75, r3=  4.54, r4=  5.04,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 2 
# atom 1:           ARG 1 HA
# atom 2:           ARG 1 HB3

 &rst 
  iat= 4,  7, 
  r1=  1.29, r2=  1.79, r3=  4.84, r4=  5.34,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 3 
# atom 1:           ARG 1 HA
# pseudoatom 2:     ARG 1 HD2

 &rst 
  iat= 4,  -1, 
  igr2= 12, 13, 0,
  r1=  1.20, r2=  1.70, r3=  6.31, r4=  6.81,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 4 
# atom 1:           ARG 1 HA
# pseudoatom 2:     ARG 1 HG2

 &rst 
  iat= 4,  -1, 
  igr2= 9, 10, 0,
  r1=  0.31, r2=  0.81, r3=  5.49, r4=  5.99,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 5 
# atom 1:           ARG 1 HA
# atom 2:           ARG 1 H

 &rst 
  iat= 4,  2, 
  r1=  1.59, r2=  2.09, r3=  3.69, r4=  4.19,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 6 
# atom 1:           ARG 1 HA
# atom 2:           ARG 2 H

 &rst 
  iat= 4,  26, 
  r1=  1.69, r2=  2.19, r3=  3.79, r4=  4.29,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 7 
# atom 1:           ARG 1 HB2
# pseudoatom 2:     ARG 1 HD2

 &rst 
  iat= 6,  -1, 
  igr2= 12, 13, 0,
  r1=  0.60, r2=  1.10, r3=  4.70, r4=  5.20,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 8 
# atom 1:           ARG 1 HB2
# pseudoatom 2:     ARG 1 HG2

 &rst 
  iat= 6,  -1, 
  igr2= 9, 10, 0,
  r1=  0.16, r2=  0.66, r3=  4.12, r4=  4.62,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 9 
# atom 1:           ARG 1 HB3
# atom 2:           ARG 1 HB2

 &rst 
  iat= 7,  6, 
  r1=  0.72, r2=  1.22, r3=  2.82, r4=  3.32,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 10 
# atom 1:           ARG 1 HB3
# pseudoatom 2:     ARG 1 HD2

 &rst 
  iat= 7,  -1, 
  igr2= 12, 13, 0,
  r1=  0.55, r2=  1.05, r3=  4.73, r4=  5.23,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 11 
# pseudoatom 1:     ARG 1 HD2
# pseudoatom 2:     ARG 1 HG2

 &rst 
  iat= -1,  -1, 
  igr1= 12, 13, 0,
  igr2= 9, 10, 0,
  r1=  0.00, r2=  0.00, r3=  5.04, r4=  5.54,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 12 
# pseudoatom 1:     ARG 1 HD2
# atom 2:           ARG 2 H

 &rst 
  iat= -1,  26, 
  igr1= 12, 13, 0,
  r1=  2.25, r2=  2.75, r3=  6.13, r4=  6.63,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 13 
# pseudoatom 1:     ARG 1 HG2
# atom 2:           ARG 1 H

 &rst 
  iat= -1,  2, 
  igr1= 9, 10, 0,
  r1=  0.82, r2=  1.32, r3=  4.70, r4=  5.20,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 14 
# pseudoatom 1:     ARG 1 HG2
# atom 2:           ARG 2 H

 &rst 
  iat= -1,  26, 
  igr1= 9, 10, 0,
  r1=  1.52, r2=  2.02, r3=  5.40, r4=  5.90,
  rk2= 20, rk3= 20,
 &end 


# distance restraint 16 
# atom 1:           ARG 2 HA
# pseudoatom 2:     ARG 2 HB2

 &rst 
  iat= 28,  -1, 
  igr2= 30, 31, 0,
  r1=  0.30, r2=  0.80, r3=  4.93, r4=  5.43,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 17 
# atom 1:           ARG 2 HA
# pseudoatom 2:     ARG 2 HD2

 &rst 
  iat= 28,  -1, 
  igr2= 36, 37, 0,
  r1=  0.91, r2=  1.41, r3=  6.48, r4=  6.98,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 18 
# atom 1:           ARG 2 HA
# pseudoatom 2:     ARG 2 HG2

 &rst 
  iat= 28,  -1, 
  igr2= 33, 34, 0,
  r1=  0.63, r2=  1.13, r3=  5.44, r4=  5.94,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 19 
# atom 1:           ARG 2 HA
# atom 2:           ARG 2 H

 &rst 
  iat= 28,  26, 
  r1=  1.68, r2=  2.18, r3=  3.78, r4=  4.28,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 20 
# atom 1:           ARG 2 HA
# atom 2:           TRP 3 H

 &rst 
  iat= 28,  50, 
  r1=  1.37, r2=  1.87, r3=  3.47, r4=  3.97,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 21 
# pseudoatom 1:     ARG 2 HB2
# pseudoatom 2:     ARG 2 HD2

 &rst 
  iat= -1,  -1, 
  igr1= 30, 31, 0,
  igr2= 36, 37, 0,
  r1=  0.00, r2=  0.11, r3=  5.60, r4=  6.10,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 22 
# pseudoatom 1:     ARG 2 HB2
# pseudoatom 2:     ARG 2 HG2

 &rst 
  iat= -1,  -1, 
  igr1= 30, 31, 0,
  igr2= 33, 34, 0,
  r1=  0.00, r2=  0.00, r3=  5.06, r4=  5.56,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 23 
# pseudoatom 1:     ARG 2 HB2
# atom 2:           ARG 2 H

 &rst 
  iat= -1,  26, 
  igr1= 30, 31, 0,
  r1=  1.32, r2=  1.82, r3=  5.20, r4=  5.70,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 24 
# pseudoatom 1:     ARG 2 HB2
# atom 2:           TRP 3 HE3

 &rst 
  iat= -1,  69, 
  igr1= 30, 31, 0,
  r1=  4.07, r2=  4.57, r3=  7.95, r4=  8.45,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 25 
# pseudoatom 1:     ARG 2 HB2
# atom 2:           TRP 3 H

 &rst 
  iat= -1,  50, 
  igr1= 30, 31, 0,
  r1=  1.09, r2=  1.59, r3=  5.12, r4=  5.62,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 26 
# pseudoatom 1:     ARG 2 HB2
# atom 2:           TRP 4 HE1

 &rst 
  iat= -1,  84, 
  igr1= 30, 31, 0,
  r1=  1.98, r2=  2.48, r3=  5.86, r4=  6.36,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 27 
# pseudoatom 1:     ARG 2 HD2
# pseudoatom 2:     ARG 2 HG2

 &rst 
  iat= -1,  -1, 
  igr1= 36, 37, 0,
  igr2= 33, 34, 0,
  r1=  0.00, r2=  0.00, r3=  5.25, r4=  5.75,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 28 
# pseudoatom 1:     ARG 2 HD2
# atom 2:           ARG 2 H

 &rst 
  iat= -1,  26, 
  igr1= 36, 37, 0,
  r1=  3.41, r2=  3.91, r3=  7.29, r4=  7.79,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 29 
# pseudoatom 1:     ARG 2 HD2
# atom 2:           TRP 3 HD1

 &rst 
  iat= -1,  58, 
  igr1= 36, 37, 0,
  r1=  2.53, r2=  3.03, r3=  6.41, r4=  6.91,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 30 
# pseudoatom 1:     ARG 2 HD2
# atom 2:           TRP 4 HE1

 &rst 
  iat= -1,  84, 
  igr1= 36, 37, 0,
  r1=  1.22, r2=  1.72, r3=  5.10, r4=  5.60,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 31 
# pseudoatom 1:     ARG 2 HD2
# atom 2:           TRP 4 HH2

 &rst 
  iat= -1,  89, 
  igr1= 36, 37, 0,
  r1=  2.79, r2=  3.29, r3=  7.08, r4=  7.58,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 32 
# pseudoatom 1:     ARG 2 HD2
# atom 2:           TRP 4 HZ2

 &rst 
  iat= -1,  87, 
  igr1= 36, 37, 0,
  r1=  1.26, r2=  1.76, r3=  5.26, r4=  5.76,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 33 
# pseudoatom 1:     ARG 2 HG2
# atom 2:           ARG 2 H

 &rst 
  iat= -1,  26, 
  igr1= 33, 34, 0,
  r1=  0.88, r2=  1.38, r3=  5.41, r4=  5.91,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 34 
# pseudoatom 1:     ARG 2 HG2
# atom 2:           TRP 3 HD1

 &rst 
  iat= -1,  58, 
  igr1= 33, 34, 0,
  r1=  1.73, r2=  2.23, r3=  6.53, r4=  7.03,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 35 
# pseudoatom 1:     ARG 2 HG2
# atom 2:           TRP 3 HE3

 &rst 
  iat= -1,  69, 
  igr1= 33, 34, 0,
  r1=  3.38, r2=  3.88, r3=  7.51, r4=  8.01,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 36 
# pseudoatom 1:     ARG 2 HG2
# atom 2:           TRP 4 HE1

 &rst 
  iat= -1,  84, 
  igr1= 33, 34, 0,
  r1=  2.24, r2=  2.74, r3=  6.12, r4=  6.62,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 37 
# pseudoatom 1:     ARG 2 HG2
# atom 2:           TRP 3 H

 &rst 
  iat= -1,  50, 
  igr1= 33, 34, 0,
  r1=  2.31, r2=  2.81, r3=  6.19, r4=  6.69,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 38 
# atom 1:           ARG 2 H
# atom 2:           TRP 3 H

 &rst 
  iat= 26,  50, 
  r1=  3.13, r2=  3.63, r3=  5.42, r4=  5.92,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 39 
# atom 1:           TRP 3 HA
# atom 2:           TRP 3 HB2

 &rst 
  iat= 52,  54, 
  r1=  1.39, r2=  1.89, r3=  4.62, r4=  5.12,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 40 
# atom 1:           TRP 3 HA
# atom 2:           TRP 3 HB3

 &rst 
  iat= 52,  55, 
  r1=  1.44, r2=  1.94, r3=  4.73, r4=  5.23,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 41 
# atom 1:           TRP 3 HA
# atom 2:           TRP 3 HE3

 &rst 
  iat= 52,  69, 
  r1=  2.10, r2=  2.60, r3=  4.20, r4=  4.70,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 42 
# atom 1:           TRP 3 HA
# atom 2:           TRP 3 H

 &rst 
  iat= 52,  50, 
  r1=  1.45, r2=  1.95, r3=  3.55, r4=  4.05,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 43 
# atom 1:           TRP 3 HB2
# atom 2:           TRP 3 H

 &rst 
  iat= 54,  50, 
  r1=  1.48, r2=  1.98, r3=  3.58, r4=  4.08,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 44 
# atom 1:           TRP 3 HB3
# atom 2:           TRP 3 H

 &rst 
  iat= 55,  50, 
  r1=  2.02, r2=  2.52, r3=  4.12, r4=  4.62,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 45 
# atom 1:           TRP 3 HD1
# atom 2:           TRP 3 HE1

 &rst 
  iat= 58,  60, 
  r1=  1.24, r2=  1.74, r3=  3.38, r4=  3.88,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 46 
# atom 1:           TRP 3 HE1
# atom 2:           TRP 3 HZ2

 &rst 
  iat= 60,  63, 
  r1=  1.30, r2=  1.80, r3=  3.77, r4=  4.27,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 47 
# atom 1:           TRP 4 HA
# atom 2:           TRP 3 HE3

 &rst 
  iat= 76,  69, 
  r1=  2.39, r2=  2.89, r3=  4.49, r4=  4.99,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 48 
# atom 1:           TRP 4 HA
# atom 2:           TRP 4 HB2

 &rst 
  iat= 76,  78, 
  r1=  1.76, r2=  2.26, r3=  5.25, r4=  5.75,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 49 
# atom 1:           TRP 4 HA
# atom 2:           TRP 4 HB3

 &rst 
  iat= 76,  79, 
  r1=  1.37, r2=  1.87, r3=  4.55, r4=  5.05,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 50 
# atom 1:           TRP 4 HA
# atom 2:           TRP 4 H

 &rst 
  iat= 76,  74, 
  r1=  1.90, r2=  2.40, r3=  4.00, r4=  4.50,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 51 
# atom 1:           TRP 4 HA
# atom 2:           PHE 5 H

 &rst 
  iat= 76,  98, 
  r1=  2.41, r2=  2.91, r3=  4.51, r4=  5.01,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 52 
# atom 1:           TRP 4 HB2
# atom 2:           TRP 3 HE3

 &rst 
  iat= 78,  69, 
  r1=  3.74, r2=  4.24, r3=  5.84, r4=  6.34,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 53 
# atom 1:           TRP 4 HB2
# atom 2:           TRP 3 HZ3

 &rst 
  iat= 78,  67, 
  r1=  3.96, r2=  4.46, r3=  6.06, r4=  6.56,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 54 
# atom 1:           TRP 4 HB2
# atom 2:           TRP 4 HB3

 &rst 
  iat= 78,  79, 
  r1=  0.92, r2=  1.42, r3=  3.02, r4=  3.52,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 55 
# atom 1:           TRP 4 HB2
# atom 2:           TRP 4 H

 &rst 
  iat= 78,  74, 
  r1=  2.14, r2=  2.64, r3=  4.24, r4=  4.74,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 56 
# atom 1:           TRP 4 HB2
# pseudoatom 2:     PHE 5 HD1

 &rst 
  iat= 78,  -1, 
  igr2= 106, 114, 0,
  r1=  1.65, r2=  2.15, r3=  8.07, r4=  8.57,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 57 
# atom 1:           TRP 4 HB3
# atom 2:           TRP 3 HZ3

 &rst 
  iat= 79,  67, 
  r1=  2.83, r2=  3.33, r3=  4.93, r4=  5.43,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 58 
# atom 1:           TRP 4 HB3
# atom 2:           PHE 5 H

 &rst 
  iat= 79,  98, 
  r1=  3.09, r2=  3.59, r3=  5.19, r4=  5.69,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 59 
# atom 1:           TRP 4 HD1
# atom 2:           TRP 3 HD1

 &rst 
  iat= 82,  58, 
  r1=  4.13, r2=  4.63, r3=  6.23, r4=  6.73,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 60 
# atom 1:           TRP 4 HD1
# atom 2:           TRP 3 HE1

 &rst 
  iat= 82,  60, 
  r1=  4.62, r2=  5.12, r3=  6.72, r4=  7.22,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 61 
# atom 1:           TRP 4 HD1
# atom 2:           TRP 4 HE1

 &rst 
  iat= 82,  84, 
  r1=  1.35, r2=  1.85, r3=  3.80, r4=  4.30,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 62 
# atom 1:           TRP 4 HE1
# atom 2:           TRP 4 HZ2

 &rst 
  iat= 84,  87, 
  r1=  1.47, r2=  1.97, r3=  3.65, r4=  4.15,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 63 
# atom 1:           PHE 5 HA
# atom 2:           PHE 5 HB2

 &rst 
  iat= 100,  102, 
  r1=  1.61, r2=  2.11, r3=  3.71, r4=  4.21,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 64 
# atom 1:           PHE 5 HA
# atom 2:           PHE 5 HB3

 &rst 
  iat= 100,  103, 
  r1=  1.46, r2=  1.96, r3=  3.56, r4=  4.06,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 65 
# atom 1:           PHE 5 HA
# pseudoatom 2:     PHE 5 HD1

 &rst 
  iat= 100,  -1, 
  igr2= 106, 114, 0,
  r1=  0.00, r2=  0.00, r3=  5.66, r4=  6.16,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 66 
# atom 1:           PHE 5 HA
# atom 2:           ARG 6 H

 &rst 
  iat= 100,  118, 
  r1=  1.58, r2=  2.08, r3=  3.68, r4=  4.18,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 67 
# atom 1:           PHE 5 HB2
# atom 2:           TRP 4 HE3

 &rst 
  iat= 102,  93, 
  r1=  2.75, r2=  3.25, r3=  4.85, r4=  5.35,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 68 
# atom 1:           PHE 5 HB2
# atom 2:           PHE 5 HB3

 &rst 
  iat= 102,  103, 
  r1=  0.94, r2=  1.44, r3=  3.04, r4=  3.54,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 69 
# atom 1:           PHE 5 HB2
# pseudoatom 2:     PHE 5 HD1

 &rst 
  iat= 102,  -1, 
  igr2= 106, 114, 0,
  r1=  0.00, r2=  0.00, r3=  5.89, r4=  6.39,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 70 
# atom 1:           PHE 5 HB2
# atom 2:           PHE 5 H

 &rst 
  iat= 102,  98, 
  r1=  2.41, r2=  2.91, r3=  4.51, r4=  5.01,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 71 
# atom 1:           PHE 5 HB3
# atom 2:           TRP 4 H

 &rst 
  iat= 103,  74, 
  r1=  2.18, r2=  2.68, r3=  4.28, r4=  4.78,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 72 
# atom 1:           PHE 5 HB3
# pseudoatom 2:     PHE 5 HD1

 &rst 
  iat= 103,  -1, 
  igr2= 106, 114, 0,
  r1=  0.00, r2=  0.00, r3=  5.66, r4=  6.16,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 73 
# atom 1:           PHE 5 HB3
# pseudoatom 2:     PHE 5 HE1

 &rst 
  iat= 103,  -1, 
  igr2= 108, 112, 0,
  r1=  0.00, r2=  0.33, r3=  6.25, r4=  6.75,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 74 
# pseudoatom 1:     PHE 5 HD1
# atom 2:           TRP 4 HE1

 &rst 
  iat= -1,  84, 
  igr1= 106, 114, 0,
  r1=  1.14, r2=  1.64, r3=  7.56, r4=  8.06,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 75 
# atom 1:           ARG 6 HA
# atom 2:           ARG 1 H

 &rst 
  iat= 120,  2, 
  r1=  1.80, r2=  2.30, r3=  3.90, r4=  4.40,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 76 
# atom 1:           ARG 6 HA
# pseudoatom 2:     PHE 5 HD1

 &rst 
  iat= 120,  -1, 
  igr2= 106, 114, 0,
  r1=  1.82, r2=  2.32, r3=  8.24, r4=  8.74,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 77 
# atom 1:           ARG 6 HA
# pseudoatom 2:     ARG 6 HB2

 &rst 
  iat= 120,  -1, 
  igr2= 122, 123, 0,
  r1=  0.48, r2=  0.98, r3=  4.76, r4=  5.26,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 78 
# atom 1:           ARG 6 HA
# pseudoatom 2:     ARG 6 HD2

 &rst 
  iat= 120,  -1, 
  igr2= 128, 129, 0,
  r1=  1.31, r2=  1.81, r3=  6.70, r4=  7.20,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 79 
# atom 1:           ARG 6 HA
# pseudoatom 2:     ARG 6 HG2

 &rst 
  iat= 120,  -1, 
  igr2= 125, 126, 0,
  r1=  0.66, r2=  1.16, r3=  5.18, r4=  5.68,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 80 
# atom 1:           ARG 6 HA
# atom 2:           ARG 6 H

 &rst 
  iat= 120,  118, 
  r1=  1.43, r2=  1.93, r3=  3.53, r4=  4.03,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 81 
# pseudoatom 1:     ARG 6 HB2
# atom 2:           ARG 1 H

 &rst 
  iat= -1,  2, 
  igr1= 122, 123, 0,
  r1=  0.79, r2=  1.29, r3=  4.89, r4=  5.39,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 82 
# pseudoatom 1:     ARG 6 HB2
# pseudoatom 2:     PHE 5 HD1

 &rst 
  iat= -1,  -1, 
  igr1= 122, 123, 0,
  igr2= 106, 114, 0,
  r1=  0.21, r2=  0.71, r3=  8.49, r4=  8.99,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 83 
# pseudoatom 1:     ARG 6 HB2
# pseudoatom 2:     PHE 5 HE1

 &rst 
  iat= -1,  -1, 
  igr1= 122, 123, 0,
  igr2= 108, 112, 0,
  r1=  1.25, r2=  1.75, r3= 10.01, r4= 10.51,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 84 
# pseudoatom 1:     ARG 6 HB2
# pseudoatom 2:     ARG 6 HD2

 &rst 
  iat= -1,  -1, 
  igr1= 122, 123, 0,
  igr2= 128, 129, 0,
  r1=  0.00, r2=  0.13, r3=  5.97, r4=  6.47,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 85 
# pseudoatom 1:     ARG 6 HB2
# atom 2:           ARG 6 H

 &rst 
  iat= -1,  118, 
  igr1= 122, 123, 0,
  r1=  1.86, r2=  2.36, r3=  6.17, r4=  6.67,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 86 
# pseudoatom 1:     ARG 6 HD2
# pseudoatom 2:     ARG 6 HG2

 &rst 
  iat= -1,  -1, 
  igr1= 128, 129, 0,
  igr2= 125, 126, 0,
  r1=  0.00, r2=  0.16, r3=  5.69, r4=  6.19,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 87 
# pseudoatom 1:     ARG 6 HD2
# pseudoatom 2:     PHE 5 HD1

 &rst 
  iat= -1,  -1, 
  igr1= 128, 129, 0,
  igr2= 106, 114, 0,
  r1=  0.00, r2=  0.00, r3=  7.52, r4=  8.02,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 88 
# pseudoatom 1:     ARG 6 HD2
# pseudoatom 2:     PHE 5 HE1

 &rst 
  iat= -1,  -1, 
  igr1= 128, 129, 0,
  igr2= 108, 112, 0,
  r1=  0.00, r2=  0.00, r3=  7.49, r4=  7.99,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 89 
# pseudoatom 1:     ARG 6 HG2
# atom 2:           PHE 5 HB2

 &rst 
  iat= -1,  102, 
  igr1= 125, 126, 0,
  r1=  3.68, r2=  4.18, r3=  7.56, r4=  8.06,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 90 
# pseudoatom 1:     ARG 6 HG2
# pseudoatom 2:     PHE 5 HD1

 &rst 
  iat= -1,  -1, 
  igr1= 125, 126, 0,
  igr2= 106, 114, 0,
  r1=  0.00, r2=  0.00, r3=  7.94, r4=  8.44,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 91 
# pseudoatom 1:     ARG 6 HG2
# pseudoatom 2:     PHE 5 HE1

 &rst 
  iat= -1,  -1, 
  igr1= 125, 126, 0,
  igr2= 108, 112, 0,
  r1=  0.00, r2=  0.37, r3=  8.40, r4=  8.90,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 92 
# pseudoatom 1:     ARG 6 HG2
# pseudoatom 2:     ARG 6 HB2

 &rst 
  iat= -1,  -1, 
  igr1= 125, 126, 0,
  igr2= 122, 123, 0,
  r1=  0.00, r2=  0.15, r3=  5.73, r4=  6.23,
  rk2= 20, rk3= 20,
 &end 


# distance restraint 94 
# atom 1:           ARG 6 H
# pseudoatom 2:     PHE 5 HD1

 &rst 
  iat= 118,  -1, 
  igr2= 106, 114, 0,
  r1=  1.30, r2=  1.80, r3=  7.72, r4=  8.22,
  rk2= 20, rk3= 20,
 &end 
#
#
#===========================================================================


# distance restraint 15 
# atom 1:           ARG 1 H
# atom 2:           ARG 2 H

 &rst 
  iat= 2,  26, 
  r1=  2.12, r2=  2.62, r3=  4.95, r4=  5.45,
  rk2= 20, rk3= 20,
 &end 


#
# distance restraint 93 
# atom 1:           ARG 6 H
# atom 2:           ARG 1 H

 &rst 
  iat= 118,  2, 
  r1=  2.55, r2=  3.05, r3=  5.95, r4=  6.45,
  rk2= 20, rk3= 20,
 &end 
#
# distance restraint 7 
# atom 1:           ARG 1 HA
# atom 2:           ARG 6 HA

 &rst 
  iat= 4,  120, 
  r1=  4.01, r2=  4.51, r3=  6.51, r4=  7.01,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 9 
# atom 1:           ARG 1 HB2
# atom 2:           ARG 1 HN

 &rst 
  iat= 6,  2, 
  r1=  1.77, r2=  2.27, r3=  3.87, r4=  4.37,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 25 
# atom 1:           ARG 2 HA
# atom 2:           TRP 3 HD1

 &rst 
  iat= 28,  58, 
  r1=  3.05, r2=  3.55, r3=  5.95, r4=  6.45,
  rk2= 20, rk3= 20,
 &end 


# distance restraint 42 
# pseudoatom 1:     ARG 2 HG2
# atom 2:           TRP 3 HE1

 &rst 
  iat= -1,  60, 
  igr1= 33, 34, 0,
  r1=  2.71, r2=  3.21, r3=  7.39, r4=  7.89,
  rk2= 20, rk3= 20,
 &end 


# distance restraint 59 
# atom 1:           TRP 3 HB3
# atom 2:           TRP 3 HE3

 &rst 
  iat= 55,  69, 
  r1=  1.58, r2=  2.08, r3=  4.48, r4=  4.98,
  rk2= 20, rk3= 20,
 &end 


# distance restraint 49 
# atom 1:           TRP 3 HB2
# atom 2:           TRP 3 HE3

 &rst 
  iat= 54,  69, 
  r1=  2.09, r2=  2.59, r3=  4.29, r4=  4.69,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 63 
# atom 1:           TRP 3 HD1
# atom 2:           TRP 3 HN

 &rst 
  iat= 58,  50, 
  r1=  2.86, r2=  3.36, r3=  4.76, r4=  5.26,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 68 
# atom 1:           TRP 4 HA
# atom 2:           TRP 4 HD1

 &rst 
  iat= 76,  82, 
  r1=  3.92, r2=  4.42, r3=  5.82, r4=  6.32,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 76 
# atom 1:           TRP 4 HB3
# atom 2:           TRP 3 HE3

 &rst 
  iat= 79,  69, 
  r1=  2.42, r2=  2.92, r3=  4.32, r4=  4.82,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 78 
# atom 1:           TRP 4 HB3
# atom 2:           TRP 4 HE3

 &rst 
  iat= 79,  93, 
  r1=  2.32, r2=  2.82, r3=  4.22, r4=  4.72,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 88 
# atom 1:           PHE 5 HA
# atom 2:           ARG 6 HA

 &rst 
  iat= 100,  120, 
  r1=  3.98, r2=  4.48, r3=  5.88, r4=  6.38,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 94 
# atom 1:           PHE 5 HB2
# atom 2:           ARG 6 HN

 &rst 
  iat= 102,  118, 
  r1=  4.20, r2=  4.70, r3=  6.10, r4=  6.60,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 97 
# atom 1:           PHE 5 HB3
# atom 2:           ARG 6 HN

 &rst 
  iat= 103,  118, 
  r1=  3.72, r2=  4.22, r3=  5.62, r4=  6.12,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 112 
# pseudoatom 1:     ARG 6 HD2
# atom 2:           PHE 5 HN

 &rst 
  iat= -1,  98, 
  igr1= 128, 129, 0,
  r1=  2.05, r2=  2.55, r3=  5.73, r4=  6.23,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 44 
# atom 1:           TRP 3 HA
# atom 2:           TRP 3 HD1

 &rst 
  iat= 52,  58, 
  r1=  1.67, r2=  2.17, r3=  3.77, r4=  4.27,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 9 
# atom 1:           ARG 1 HB2
# atom 2:           ARG 2 HN

 &rst 
  iat= 6,  26, 
  r1=  1.76, r2=  2.26, r3=  3.66, r4=  4.16,
  rk2= 20, rk3= 20,
 &end 

# distance restraint 46 
# atom 1:           TRP 3 HB2
# atom 2:           TRP 3 HD1

 &rst 
  iat= 54,  58, 
  r1=  2.01, r2=  2.51, r3=  3.91, r4=  4.41,
  rk2= 20, rk3= 20,
 &end 

#

#
#
#===========================================================================
#
#
# torsion r1    N,    CA,    CB,    CG,
#               1,     3,     5,     8,
# 

 &rst iat= 1, 3, 5, 8, 
  r1= 150, r2= 160, r3= 200, r4= 210,
  rk2= 20, rk3= 20,
 &end

# torsion w3    N,    CA,    CB,    CG,
#              49,    51,    53,    56,
# 

 &rst iat= 49, 51, 53, 56,
  r1= 150, r2= 160, r3= 200, r4= 210,
  rk2= 20, rk3= 20,
 &end

# torsion w4    N,    CA,    CB,    CG,
#              73,    75,    77,     80,
# 

 &rst iat= 73, 75, 77, 80, 
  r1= 30, r2= 40, r3= 80, r4= 90,
  rk2= 20, rk3= 20,
 &end

# torsion f5    N,    CA,    CB,    CG,
#              97,    99,   101,   104,
# 

 &rst iat= 97, 99, 101, 104,
   r1= 150, r2= 160, r3= 200, r4= 210,
  rk2= 20, rk3= 20,
 &end


#
#
#
#
#
#====================================================================
#
#
#
#
#
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=3,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 1 atoms:  CB CD HG2 HG3
 &rst iat=5,11,9,10, &end
#
#  chirality for residue 1 atoms:  CG NE HD2 HD3
 &rst iat=8,14,12,13, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,23,4,5, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=27,32,30,31, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=29,35,33,34, &end
#
#  chirality for residue 2 atoms:  CG NE HD2 HD3
 &rst iat=32,38,36,37, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=25,47,28,29, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=51,56,54,55, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=49,71,52,53, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=75,80,78,79, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=73,95,76,77, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=99,104,102,103, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=97,115,100,101, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=119,124,122,123, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=121,127,125,126, &end
#
#  chirality for residue 6 atoms:  CG NE HD2 HD3
 &rst iat=124,130,128,129, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=117,139,120,121, &end
#
#  trans-omega constraint for residue 1
 &rst iat=3,1,139,119, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 2
 &rst iat=27,25,23,3, &end
#
#  trans-omega constraint for residue 3
 &rst iat=51,49,47,27, &end
#
#  trans-omega constraint for residue 4
 &rst iat=75,73,71,51, &end
#
#  trans-omega constraint for residue 5
 &rst iat=99,97,95,75, &end
#
#  trans-omega constraint for residue 6
 &rst iat=119,117,115,99, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ARG   1           HA       ARG   1  -3.044   0.557   4.025
    2    HE   ARG   1           HE       ARG   1  -5.249  -1.515   4.476
    3    H1   ARG   1           1H       ARG   1  -0.987   1.045   2.045
    4    HB2  ARG   1           1HB      ARG   1  -4.247   2.037   2.446
    5    HB3  ARG   1           2HB      ARG   1  -3.747   1.036   1.094
    6    HG2  ARG   1           1HG      ARG   1  -6.009   0.556   1.535
    7    HG3  ARG   1           2HG      ARG   1  -5.109  -0.864   2.049
    8    HD2  ARG   1           1HD      ARG   1  -6.056   1.333   3.947
    9    HD3  ARG   1           2HD      ARG   1  -7.025  -0.082   3.541
   10   HH11  ARG   1          1HH2      ARG   1  -5.379   1.865   5.626
   11   HH12  ARG   1          2HH2      ARG   1  -4.591   1.474   7.137
   12   HH21  ARG   1          1HH1      ARG   1  -4.241  -1.953   6.437
   13   HH22  ARG   1          2HH1      ARG   1  -3.952  -0.674   7.594
   14    H    ARG   2           H        ARG   2  -2.363  -0.506   0.630
   15    HA   ARG   2           HA       ARG   2  -2.524  -3.221   0.950
   16    HE   ARG   2           HE       ARG   2  -2.754  -3.655  -3.822
   17    HB2  ARG   2           1HB      ARG   2  -2.413  -1.943  -1.162
   18    HB3  ARG   2           2HB      ARG   2  -0.687  -1.682  -0.919
   19    HG2  ARG   2           1HG      ARG   2  -0.362  -4.195  -0.951
   20    HG3  ARG   2           2HG      ARG   2  -2.071  -4.367  -1.352
   21    HD2  ARG   2           1HD      ARG   2   0.001  -2.817  -2.982
   22    HD3  ARG   2           2HD      ARG   2  -0.536  -4.460  -3.326
   23   HH11  ARG   2          1HH1      ARG   2  -0.292  -1.066  -3.690
   24   HH12  ARG   2          2HH1      ARG   2  -1.268   0.030  -4.639
   25   HH21  ARG   2          1HH2      ARG   2  -3.950  -2.197  -5.049
   26   HH22  ARG   2          2HH2      ARG   2  -3.319  -0.606  -5.407
   27    H    TRP   3           H        TRP   3   0.757  -2.112   0.257
   28    HA   TRP   3           HA       TRP   3   1.966  -3.442   2.601
   29    HD1  TRP   3           HD       TRP   3   1.797  -6.563   2.162
   30    HE1  TRP   3           1HE      TRP   3   3.791  -8.043   2.836
   31    HE3  TRP   3           3HE      TRP   3   5.536  -3.706   0.253
   32    HZ2  TRP   3           2HZ      TRP   3   6.695  -7.925   2.629
   33    HZ3  TRP   3           3HZ      TRP   3   7.917  -4.389   0.493
   34    HH2  TRP   3           HH       TRP   3   8.500  -6.493   1.676
   35    HB2  TRP   3           1HB      TRP   3   1.470  -4.838   0.395
   36    HB3  TRP   3           2HB      TRP   3   2.820  -3.948  -0.257
   37    H    TRP   4           H        TRP   4   1.892  -0.978   0.197
   38    HA   TRP   4           HA       TRP   4   4.212   0.473   1.214
   39    HD1  TRP   4           HD       TRP   4   4.228  -2.930  -1.599
   40    HE1  TRP   4           1HE      TRP   4   2.956  -3.300  -3.767
   41    HE3  TRP   4           3HE      TRP   4   3.447   1.963  -2.912
   42    HZ2  TRP   4           2HZ      TRP   4   1.696  -1.677  -5.821
   43    HZ3  TRP   4           3HZ      TRP   4   2.202   2.515  -4.977
   44    HH2  TRP   4           HH       TRP   4   1.322   0.709  -6.436
   45    HB2  TRP   4           1HB      TRP   4   5.142   0.686  -1.126
   46    HB3  TRP   4           2HB      TRP   4   5.326  -0.898  -0.411
   47    H    PHE   5           H        PHE   5   1.084   0.306   0.042
   48    HA   PHE   5           HA       PHE   5   1.022   2.958  -1.283
   49    HD1  PHE   5           1HD      PHE   5  -0.113   3.578  -3.469
   50    HD2  PHE   5           2HD      PHE   5  -3.069   0.982  -1.696
   51    HE1  PHE   5           1HE      PHE   5  -1.923   4.884  -4.556
   52    HE2  PHE   5           2HE      PHE   5  -4.870   2.292  -2.782
   53    HZ   PHE   5           HZ       PHE   5  -4.302   4.247  -4.207
   54    HB2  PHE   5           1HB      PHE   5   0.293   1.028  -2.603
   55    HB3  PHE   5           2HB      PHE   5  -0.815   0.542  -1.325
   56    H    ARG   6           H        ARG   6   1.310   2.850   1.574
   57    HA   ARG   6           HA       ARG   6   0.467   3.380   3.554
   58    HE   ARG   6           HE       ARG   6  -1.273   6.550   0.495
   59    HB2  ARG   6           1HB      ARG   6  -1.537   5.091   2.038
   60    HB3  ARG   6           2HB      ARG   6  -1.015   5.274   3.697
   61    HG2  ARG   6           1HG      ARG   6   0.139   6.943   2.628
   62    HG3  ARG   6           2HG      ARG   6   1.350   5.689   2.842
   63    HD2  ARG   6           1HD      ARG   6   1.503   6.839   0.660
   64    HD3  ARG   6           2HD      ARG   6   1.214   5.117   0.449
   65   HH11  ARG   6          1HH1      ARG   6   1.504   5.951  -1.657
   66   HH12  ARG   6          2HH1      ARG   6   0.569   6.238  -3.107
   67   HH21  ARG   6          1HH2      ARG   6  -2.437   6.914  -1.407
   68   HH22  ARG   6          2HH2      ARG   6  -1.655   6.779  -2.965
  Start of MODEL    2
    1    HA   ARG   1           HA       ARG   1  -3.057   0.541   4.053
    2    HE   ARG   1           HE       ARG   1  -7.305   1.881   3.066
    3    H1   ARG   1           1H       ARG   1  -1.055   1.055   2.007
    4    HB2  ARG   1           1HB      ARG   1  -4.289   1.983   2.377
    5    HB3  ARG   1           2HB      ARG   1  -3.909   0.807   1.129
    6    HG2  ARG   1           1HG      ARG   1  -6.103   0.274   1.801
    7    HG3  ARG   1           2HG      ARG   1  -5.102  -0.942   2.586
    8    HD2  ARG   1           1HD      ARG   1  -6.642  -0.264   4.240
    9    HD3  ARG   1           2HD      ARG   1  -5.150   0.566   4.678
   10   HH11  ARG   1          1HH1      ARG   1  -5.242   1.986   5.980
   11   HH12  ARG   1          2HH1      ARG   1  -5.846   3.556   6.456
   12   HH21  ARG   1          1HH2      ARG   1  -8.047   3.888   3.735
   13   HH22  ARG   1          2HH2      ARG   1  -7.423   4.627   5.192
   14    H    ARG   2           H        ARG   2  -2.431  -0.558   0.668
   15    HA   ARG   2           HA       ARG   2  -2.533  -3.258   0.999
   16    HE   ARG   2           HE       ARG   2  -2.770  -3.160  -3.691
   17    HB2  ARG   2           1HB      ARG   2  -2.457  -1.959  -1.101
   18    HB3  ARG   2           2HB      ARG   2  -0.731  -1.686  -0.884
   19    HG2  ARG   2           1HG      ARG   2  -0.448  -4.247  -0.905
   20    HG3  ARG   2           2HG      ARG   2  -2.148  -4.346  -1.365
   21    HD2  ARG   2           1HD      ARG   2   0.117  -2.986  -2.885
   22    HD3  ARG   2           2HD      ARG   2  -0.714  -4.472  -3.341
   23   HH11  ARG   2          1HH2      ARG   2   0.295  -1.330  -3.740
   24   HH12  ARG   2          2HH2      ARG   2  -0.414   0.012  -4.607
   25   HH21  ARG   2          1HH1      ARG   2  -3.625  -1.391  -4.807
   26   HH22  ARG   2          2HH1      ARG   2  -2.611  -0.024  -5.207
   27    H    TRP   3           H        TRP   3   0.729  -2.105   0.274
   28    HA   TRP   3           HA       TRP   3   1.958  -3.435   2.608
   29    HD1  TRP   3           HD       TRP   3   1.752  -6.597   2.090
   30    HE1  TRP   3           1HE      TRP   3   3.724  -8.078   2.820
   31    HE3  TRP   3           3HE      TRP   3   5.564  -3.698   0.376
   32    HZ2  TRP   3           2HZ      TRP   3   6.629  -7.927   2.773
   33    HZ3  TRP   3           3HZ      TRP   3   7.928  -4.355   0.745
   34    HH2  TRP   3           HH       TRP   3   8.468  -6.465   1.941
   35    HB2  TRP   3           1HB      TRP   3   1.467  -4.823   0.378
   36    HB3  TRP   3           2HB      TRP   3   2.836  -3.940  -0.242
   37    H    TRP   4           H        TRP   4   1.919  -1.014   0.110
   38    HA   TRP   4           HA       TRP   4   4.217   0.439   1.186
   39    HD1  TRP   4           HD       TRP   4   4.308  -2.984  -1.591
   40    HE1  TRP   4           1HE      TRP   4   3.211  -3.368  -3.848
   41    HE3  TRP   4           3HE      TRP   4   3.651   1.901  -3.006
   42    HZ2  TRP   4           2HZ      TRP   4   2.186  -1.764  -6.039
   43    HZ3  TRP   4           3HZ      TRP   4   2.605   2.435  -5.182
   44    HH2  TRP   4           HH       TRP   4   1.875   0.617  -6.708
   45    HB2  TRP   4           1HB      TRP   4   5.224   0.634  -1.117
   46    HB3  TRP   4           2HB      TRP   4   5.376  -0.938  -0.380
   47    H    PHE   5           H        PHE   5   1.094   0.389   0.068
   48    HA   PHE   5           HA       PHE   5   1.166   3.093  -1.169
   49    HD1  PHE   5           1HD      PHE   5   0.618   3.655  -3.574
   50    HD2  PHE   5           2HD      PHE   5  -2.940   1.696  -2.121
   51    HE1  PHE   5           1HE      PHE   5  -0.786   5.193  -4.923
   52    HE2  PHE   5           2HE      PHE   5  -4.336   3.239  -3.469
   53    HZ   PHE   5           HZ       PHE   5  -3.263   4.991  -4.867
   54    HB2  PHE   5           1HB      PHE   5   0.513   1.184  -2.629
   55    HB3  PHE   5           2HB      PHE   5  -0.818   0.818  -1.537
   56    H    ARG   6           H        ARG   6   1.297   2.837   1.635
   57    HA   ARG   6           HA       ARG   6   0.404   3.339   3.584
   58    HE   ARG   6           HE       ARG   6  -0.717   6.680   0.454
   59    HB2  ARG   6           1HB      ARG   6  -1.400   5.147   1.932
   60    HB3  ARG   6           2HB      ARG   6  -1.133   5.255   3.660
   61    HG2  ARG   6           1HG      ARG   6   0.231   6.907   2.802
   62    HG3  ARG   6           2HG      ARG   6   1.326   5.603   3.239
   63    HD2  ARG   6           1HD      ARG   6   1.964   6.716   1.147
   64    HD3  ARG   6           2HD      ARG   6   1.612   5.017   0.862
   65   HH11  ARG   6          1HH1      ARG   6   2.299   5.659  -1.144
   66   HH12  ARG   6          2HH1      ARG   6   1.684   5.995  -2.746
   67   HH21  ARG   6          1HH2      ARG   6  -1.468   7.105  -1.636
   68   HH22  ARG   6          2HH2      ARG   6  -0.446   6.808  -3.023
  Start of MODEL    3
    1    HA   ARG   1           HA       ARG   1  -2.893   0.470   4.135
    2    HE   ARG   1           HE       ARG   1  -6.811   2.612   2.171
    3    H1   ARG   1           1H       ARG   1  -1.046   1.108   1.983
    4    HB2  ARG   1           1HB      ARG   1  -4.280   1.933   2.687
    5    HB3  ARG   1           2HB      ARG   1  -3.972   0.879   1.304
    6    HG2  ARG   1           1HG      ARG   1  -5.088  -1.000   2.471
    7    HG3  ARG   1           2HG      ARG   1  -5.335   0.009   3.903
    8    HD2  ARG   1           1HD      ARG   1  -6.489   0.578   1.134
    9    HD3  ARG   1           2HD      ARG   1  -7.363  -0.238   2.433
   10   HH11  ARG   1          1HH2      ARG   1  -7.700   0.070   4.509
   11   HH12  ARG   1          2HH2      ARG   1  -8.420   1.210   5.623
   12   HH21  ARG   1          1HH1      ARG   1  -7.757   4.041   3.645
   13   HH22  ARG   1          2HH1      ARG   1  -8.450   3.445   5.136
   14    H    ARG   2           H        ARG   2  -2.447  -0.516   0.666
   15    HA   ARG   2           HA       ARG   2  -2.560  -3.218   0.923
   16    HE   ARG   2           HE       ARG   2  -2.644  -3.669  -3.931
   17    HB2  ARG   2           1HB      ARG   2  -2.462  -1.946  -1.187
   18    HB3  ARG   2           2HB      ARG   2  -0.737  -1.660  -0.948
   19    HG2  ARG   2           1HG      ARG   2  -0.432  -4.210  -0.925
   20    HG3  ARG   2           2HG      ARG   2  -2.120  -4.345  -1.407
   21    HD2  ARG   2           1HD      ARG   2   0.065  -2.856  -2.938
   22    HD3  ARG   2           2HD      ARG   2  -0.480  -4.495  -3.286
   23   HH11  ARG   2          1HH1      ARG   2  -0.177  -1.100  -3.647
   24   HH12  ARG   2          2HH1      ARG   2  -1.045  -0.026  -4.720
   25   HH21  ARG   2          1HH2      ARG   2  -3.698  -2.252  -5.317
   26   HH22  ARG   2          2HH2      ARG   2  -3.024  -0.676  -5.662
   27    H    TRP   3           H        TRP   3   0.725  -2.018   0.304
   28    HA   TRP   3           HA       TRP   3   1.908  -3.436   2.602
   29    HD1  TRP   3           HD       TRP   3   1.709  -6.520   2.135
   30    HE1  TRP   3           1HE      TRP   3   3.670  -7.978   2.938
   31    HE3  TRP   3           3HE      TRP   3   5.538  -3.686   0.376
   32    HZ2  TRP   3           2HZ      TRP   3   6.579  -7.830   2.924
   33    HZ3  TRP   3           3HZ      TRP   3   7.902  -4.321   0.802
   34    HH2  TRP   3           HH       TRP   3   8.427  -6.390   2.074
   35    HB2  TRP   3           1HB      TRP   3   1.456  -4.799   0.356
   36    HB3  TRP   3           2HB      TRP   3   2.831  -3.907  -0.240
   37    H    TRP   4           H        TRP   4   1.950  -1.022   0.101
   38    HA   TRP   4           HA       TRP   4   4.212   0.447   1.246
   39    HD1  TRP   4           HD       TRP   4   4.214  -2.928  -1.589
   40    HE1  TRP   4           1HE      TRP   4   3.042  -3.220  -3.825
   41    HE3  TRP   4           3HE      TRP   4   3.790   2.007  -2.930
   42    HZ2  TRP   4           2HZ      TRP   4   1.978  -1.528  -5.931
   43    HZ3  TRP   4           3HZ      TRP   4   2.701   2.626  -5.059
   44    HH2  TRP   4           HH       TRP   4   1.784   0.876  -6.563
   45    HB2  TRP   4           1HB      TRP   4   5.247   0.665  -1.041
   46    HB3  TRP   4           2HB      TRP   4   5.381  -0.929  -0.346
   47    H    PHE   5           H        PHE   5   1.102   0.353   0.103
   48    HA   PHE   5           HA       PHE   5   1.139   3.037  -1.177
   49    HD1  PHE   5           2HD      PHE   5   0.719   3.490  -3.626
   50    HD2  PHE   5           1HD      PHE   5  -2.925   1.703  -2.163
   51    HE1  PHE   5           2HE      PHE   5  -0.610   5.038  -5.036
   52    HE2  PHE   5           1HE      PHE   5  -4.247   3.263  -3.566
   53    HZ   PHE   5           HZ       PHE   5  -3.094   4.929  -5.005
   54    HB2  PHE   5           1HB      PHE   5   0.530   1.059  -2.614
   55    HB3  PHE   5           2HB      PHE   5  -0.834   0.754  -1.545
   56    H    ARG   6           H        ARG   6   1.268   2.958   1.565
   57    HA   ARG   6           HA       ARG   6   0.404   3.496   3.506
   58    HE   ARG   6           HE       ARG   6  -1.876   5.802   0.426
   59    HB2  ARG   6           1HB      ARG   6  -1.800   5.002   2.085
   60    HB3  ARG   6           2HB      ARG   6  -1.086   5.312   3.647
   61    HG2  ARG   6           1HG      ARG   6  -0.195   6.994   2.379
   62    HG3  ARG   6           2HG      ARG   6   1.121   5.832   2.453
   63    HD2  ARG   6           1HD      ARG   6   0.798   6.955   0.236
   64    HD3  ARG   6           2HD      ARG   6   0.760   5.199   0.128
   65   HH11  ARG   6          1HH1      ARG   6   0.541   7.062  -1.873
   66   HH12  ARG   6          2HH1      ARG   6  -0.657   7.355  -3.113
   67   HH21  ARG   6          1HH2      ARG   6  -3.371   6.194  -1.196
   68   HH22  ARG   6          2HH2      ARG   6  -2.868   6.864  -2.730
  Start of MODEL    4
    1    HA   ARG   1           HA       ARG   1  -3.093   0.517   4.068
    2    HE   ARG   1           HE       ARG   1  -7.837  -1.275   1.518
    3    H1   ARG   1           1H       ARG   1  -1.071   1.090   2.082
    4    HB2  ARG   1           1HB      ARG   1  -4.419   1.910   2.507
    5    HB3  ARG   1           2HB      ARG   1  -3.950   0.876   1.153
    6    HG2  ARG   1           1HG      ARG   1  -5.098  -1.054   2.234
    7    HG3  ARG   1           2HG      ARG   1  -5.520  -0.023   3.616
    8    HD2  ARG   1           1HD      ARG   1  -6.832   1.449   2.082
    9    HD3  ARG   1           2HD      ARG   1  -6.408   0.391   0.730
   10   HH11  ARG   1          1HH1      ARG   1  -7.856   1.460   3.808
   11   HH12  ARG   1          2HH1      ARG   1  -9.268   0.867   4.653
   12   HH21  ARG   1          1HH2      ARG   1  -9.651  -1.996   2.649
   13   HH22  ARG   1          2HH2      ARG   1 -10.278  -1.079   3.999
   14    H    ARG   2           H        ARG   2  -2.397  -0.507   0.663
   15    HA   ARG   2           HA       ARG   2  -2.508  -3.211   0.948
   16    HE   ARG   2           HE       ARG   2  -0.990  -4.617  -4.369
   17    HB2  ARG   2           1HB      ARG   2  -2.350  -1.900  -1.162
   18    HB3  ARG   2           2HB      ARG   2  -0.637  -1.643  -0.864
   19    HG2  ARG   2           1HG      ARG   2  -0.546  -4.314  -0.777
   20    HG3  ARG   2           2HG      ARG   2  -2.103  -4.191  -1.601
   21    HD2  ARG   2           1HD      ARG   2  -0.925  -2.628  -3.270
   22    HD3  ARG   2           2HD      ARG   2   0.598  -3.088  -2.493
   23   HH11  ARG   2          1HH2      ARG   2   1.357  -5.022  -1.712
   24   HH12  ARG   2          2HH2      ARG   2   1.870  -6.594  -2.282
   25   HH21  ARG   2          1HH1      ARG   2  -0.290  -6.641  -5.057
   26   HH22  ARG   2          2HH1      ARG   2   0.941  -7.507  -4.166
   27    H    TRP   3           H        TRP   3   0.765  -2.059   0.304
   28    HA   TRP   3           HA       TRP   3   1.979  -3.435   2.612
   29    HD1  TRP   3           HD       TRP   3   1.668  -6.614   2.055
   30    HE1  TRP   3           1HE      TRP   3   3.605  -8.129   2.814
   31    HE3  TRP   3           3HE      TRP   3   5.554  -3.785   0.362
   32    HZ2  TRP   3           2HZ      TRP   3   6.511  -8.051   2.745
   33    HZ3  TRP   3           3HZ      TRP   3   7.897  -4.509   0.723
   34    HH2  TRP   3           HH       TRP   3   8.385  -6.636   1.911
   35    HB2  TRP   3           1HB      TRP   3   1.425  -4.807   0.377
   36    HB3  TRP   3           2HB      TRP   3   2.814  -3.963  -0.251
   37    H    TRP   4           H        TRP   4   1.962  -1.058   0.071
   38    HA   TRP   4           HA       TRP   4   4.292   0.392   1.078
   39    HD1  TRP   4           HD       TRP   4   4.425  -3.114  -1.594
   40    HE1  TRP   4           1HE      TRP   4   3.124  -3.633  -3.711
   41    HE3  TRP   4           3HE      TRP   4   3.540   1.675  -3.173
   42    HZ2  TRP   4           2HZ      TRP   4   1.713  -2.158  -5.775
   43    HZ3  TRP   4           3HZ      TRP   4   2.191   2.083  -5.210
   44    HH2  TRP   4           HH       TRP   4   1.263   0.180  -6.508
   45    HB2  TRP   4           1HB      TRP   4   5.232   0.522  -1.279
   46    HB3  TRP   4           2HB      TRP   4   5.415  -1.016  -0.477
   47    H    PHE   5           H        PHE   5   1.138   0.414   0.270
   48    HA   PHE   5           HA       PHE   5   1.151   3.035  -1.135
   49    HD1  PHE   5           1HD      PHE   5   0.769   3.513  -3.451
   50    HD2  PHE   5           2HD      PHE   5  -2.925   1.667  -2.200
   51    HE1  PHE   5           1HE      PHE   5  -0.508   5.095  -4.870
   52    HE2  PHE   5           2HE      PHE   5  -4.193   3.251  -3.622
   53    HZ   PHE   5           HZ       PHE   5  -2.989   4.970  -4.955
   54    HB2  PHE   5           1HB      PHE   5   0.479   0.977  -2.489
   55    HB3  PHE   5           2HB      PHE   5  -0.881   0.792  -1.398
   56    H    ARG   6           H        ARG   6   1.255   2.880   1.695
   57    HA   ARG   6           HA       ARG   6   0.292   3.437   3.610
   58    HE   ARG   6           HE       ARG   6  -1.054   5.924   0.173
   59    HB2  ARG   6           1HB      ARG   6  -1.565   5.128   1.896
   60    HB3  ARG   6           2HB      ARG   6  -1.230   5.329   3.601
   61    HG2  ARG   6           1HG      ARG   6   0.040   6.977   2.614
   62    HG3  ARG   6           2HG      ARG   6   1.202   5.733   3.048
   63    HD2  ARG   6           1HD      ARG   6   1.672   6.803   0.883
   64    HD3  ARG   6           2HD      ARG   6   1.422   5.075   0.689
   65   HH11  ARG   6          1HH2      ARG   6   2.008   7.304  -1.031
   66   HH12  ARG   6          2HH2      ARG   6   1.267   7.914  -2.493
   67   HH21  ARG   6          1HH1      ARG   6  -1.955   6.732  -1.728
   68   HH22  ARG   6          2HH1      ARG   6  -0.965   7.593  -2.884
  Start of MODEL    5
    1    HA   ARG   1           HA       ARG   1  -3.601   0.747   3.637
    2    HE   ARG   1           HE       ARG   1  -6.547   2.698   1.681
    3    H1   ARG   1           1H       ARG   1  -0.976   0.873   2.438
    4    HB2  ARG   1           1HB      ARG   1  -4.054   2.235   1.659
    5    HB3  ARG   1           2HB      ARG   1  -3.334   1.046   0.596
    6    HG2  ARG   1           1HG      ARG   1  -5.695   0.823   0.417
    7    HG3  ARG   1           2HG      ARG   1  -5.106  -0.599   1.273
    8    HD2  ARG   1           1HD      ARG   1  -7.146   0.187   2.328
    9    HD3  ARG   1           2HD      ARG   1  -5.796   0.443   3.439
   10   HH11  ARG   1          1HH1      ARG   1  -6.853   1.303   4.949
   11   HH12  ARG   1          2HH1      ARG   1  -7.328   2.829   5.659
   12   HH21  ARG   1          1HH2      ARG   1  -7.160   4.637   2.646
   13   HH22  ARG   1          2HH2      ARG   1  -7.500   4.708   4.360
   14    H    ARG   2           H        ARG   2  -2.121  -0.493   0.618
   15    HA   ARG   2           HA       ARG   2  -2.427  -3.257   1.223
   16    HE   ARG   2           HE       ARG   2  -2.840  -4.116  -3.555
   17    HB2  ARG   2           1HB      ARG   2  -2.433  -2.194  -1.005
   18    HB3  ARG   2           2HB      ARG   2  -0.715  -1.836  -0.861
   19    HG2  ARG   2           1HG      ARG   2  -0.281  -4.330  -0.679
   20    HG3  ARG   2           2HG      ARG   2  -2.004  -4.610  -0.938
   21    HD2  ARG   2           1HD      ARG   2  -0.088  -3.208  -2.862
   22    HD3  ARG   2           2HD      ARG   2  -0.666  -4.866  -3.008
   23   HH11  ARG   2          1HH1      ARG   2  -0.575  -1.363  -3.299
   24   HH12  ARG   2          2HH1      ARG   2  -1.658  -0.277  -4.137
   25   HH21  ARG   2          1HH2      ARG   2  -4.186  -2.665  -4.631
   26   HH22  ARG   2          2HH2      ARG   2  -3.685  -1.011  -4.890
   27    H    TRP   3           H        TRP   3   0.800  -2.426   0.177
   28    HA   TRP   3           HA       TRP   3   2.054  -3.260   2.727
   29    HD1  TRP   3           HD       TRP   3   2.024  -6.630   2.429
   30    HE1  TRP   3           1HE      TRP   3   4.098  -7.923   3.179
   31    HE3  TRP   3           3HE      TRP   3   5.617  -3.582   0.476
   32    HZ2  TRP   3           2HZ      TRP   3   6.982  -7.565   3.117
   33    HZ3  TRP   3           3HZ      TRP   3   8.017  -4.051   0.853
   34    HH2  TRP   3           HH       TRP   3   8.712  -6.037   2.174
   35    HB2  TRP   3           1HB      TRP   3   1.562  -4.913   0.721
   36    HB3  TRP   3           2HB      TRP   3   2.865  -4.082  -0.075
   37    H    TRP   4           H        TRP   4   1.952  -1.101   0.031
   38    HA   TRP   4           HA       TRP   4   4.388   0.375   0.790
   39    HD1  TRP   4           HD       TRP   4   3.835  -3.178  -1.735
   40    HE1  TRP   4           1HE      TRP   4   2.311  -3.594  -3.724
   41    HE3  TRP   4           3HE      TRP   4   3.360   1.649  -3.423
   42    HZ2  TRP   4           2HZ      TRP   4   0.970  -2.033  -5.771
   43    HZ3  TRP   4           3HZ      TRP   4   1.946   2.143  -5.387
   44    HH2  TRP   4           HH       TRP   4   0.742   0.319  -6.565
   45    HB2  TRP   4           1HB      TRP   4   5.032   0.414  -1.661
   46    HB3  TRP   4           2HB      TRP   4   5.250  -1.124  -0.879
   47    H    PHE   5           H        PHE   5   1.153   0.428   0.283
   48    HA   PHE   5           HA       PHE   5   1.075   3.042  -1.134
   49    HD1  PHE   5           2HD      PHE   5   0.465   3.498  -3.461
   50    HD2  PHE   5           1HD      PHE   5  -3.049   1.542  -1.897
   51    HE1  PHE   5           2HE      PHE   5  -0.976   4.979  -4.832
   52    HE2  PHE   5           1HE      PHE   5  -4.481   3.026  -3.270
   53    HZ   PHE   5           HZ       PHE   5  -3.449   4.746  -4.740
   54    HB2  PHE   5           1HB      PHE   5   0.350   0.985  -2.444
   55    HB3  PHE   5           2HB      PHE   5  -0.921   0.748  -1.260
   56    H    ARG   6           H        ARG   6   1.322   2.723   1.749
   57    HA   ARG   6           HA       ARG   6   0.356   2.873   3.735
   58    HE   ARG   6           HE       ARG   6  -0.578   8.161   0.376
   59    HB2  ARG   6           1HB      ARG   6  -0.677   5.005   4.204
   60    HB3  ARG   6           2HB      ARG   6   0.779   5.147   3.256
   61    HG2  ARG   6           1HG      ARG   6  -1.918   5.236   1.859
   62    HG3  ARG   6           2HG      ARG   6  -1.332   6.628   2.765
   63    HD2  ARG   6           1HD      ARG   6   0.761   6.651   1.435
   64    HD3  ARG   6           2HD      ARG   6   0.141   5.347   0.425
   65   HH11  ARG   6          1HH1      ARG   6  -1.753   4.925  -0.556
   66   HH12  ARG   6          2HH1      ARG   6  -2.761   5.555  -1.838
   67   HH21  ARG   6          1HH2      ARG   6  -1.896   8.918  -1.288
   68   HH22  ARG   6          2HH2      ARG   6  -2.847   7.804  -2.243
  Start of MODEL    6
    1    HA   ARG   1           HA       ARG   1  -2.936   0.457   4.146
    2    HE   ARG   1           HE       ARG   1  -6.430   1.892   4.106
    3    H1   ARG   1           1H       ARG   1  -1.038   1.090   2.070
    4    HB2  ARG   1           1HB      ARG   1  -4.318   1.946   2.734
    5    HB3  ARG   1           2HB      ARG   1  -4.001   0.945   1.320
    6    HG2  ARG   1           1HG      ARG   1  -5.200  -0.924   2.268
    7    HG3  ARG   1           2HG      ARG   1  -5.299  -0.156   3.859
    8    HD2  ARG   1           1HD      ARG   1  -6.591   1.022   1.364
    9    HD3  ARG   1           2HD      ARG   1  -7.417  -0.109   2.448
   10   HH11  ARG   1          1HH2      ARG   1  -8.740   1.758   1.395
   11   HH12  ARG   1          2HH2      ARG   1  -9.708   3.073   2.023
   12   HH21  ARG   1          1HH1      ARG   1  -7.722   3.581   4.882
   13   HH22  ARG   1          2HH1      ARG   1  -9.133   4.100   3.989
   14    H    ARG   2           H        ARG   2  -2.406  -0.445   0.658
   15    HA   ARG   2           HA       ARG   2  -2.528  -3.152   0.846
   16    HE   ARG   2           HE       ARG   2  -2.815  -3.213  -3.706
   17    HB2  ARG   2           1HB      ARG   2  -2.299  -1.766  -1.229
   18    HB3  ARG   2           2HB      ARG   2  -0.564  -1.654  -0.938
   19    HG2  ARG   2           1HG      ARG   2  -0.444  -4.179  -1.003
   20    HG3  ARG   2           2HG      ARG   2  -2.156  -4.209  -1.437
   21    HD2  ARG   2           1HD      ARG   2   0.080  -2.846  -3.003
   22    HD3  ARG   2           2HD      ARG   2  -0.646  -4.404  -3.400
   23   HH11  ARG   2          1HH2      ARG   2   0.199  -1.347  -4.146
   24   HH12  ARG   2          2HH2      ARG   2  -0.568  -0.187  -5.206
   25   HH21  ARG   2          1HH1      ARG   2  -3.740  -1.690  -5.084
   26   HH22  ARG   2          2HH1      ARG   2  -2.779  -0.382  -5.734
   27    H    TRP   3           H        TRP   3   0.768  -1.975   0.327
   28    HA   TRP   3           HA       TRP   3   1.914  -3.428   2.619
   29    HD1  TRP   3           HD       TRP   3   1.684  -6.563   1.973
   30    HE1  TRP   3           1HE      TRP   3   3.610  -8.056   2.797
   31    HE3  TRP   3           3HE      TRP   3   5.598  -3.621   0.561
   32    HZ2  TRP   3           2HZ      TRP   3   6.509  -7.888   2.956
   33    HZ3  TRP   3           3HZ      TRP   3   7.927  -4.271   1.096
   34    HH2  TRP   3           HH       TRP   3   8.393  -6.399   2.290
   35    HB2  TRP   3           1HB      TRP   3   1.488  -4.737   0.307
   36    HB3  TRP   3           2HB      TRP   3   2.892  -3.847  -0.220
   37    H    TRP   4           H        TRP   4   2.039  -1.114  -0.003
   38    HA   TRP   4           HA       TRP   4   4.251   0.425   1.164
   39    HD1  TRP   4           HD       TRP   4   4.544  -3.014  -1.604
   40    HE1  TRP   4           1HE      TRP   4   3.506  -3.478  -3.883
   41    HE3  TRP   4           3HE      TRP   4   3.542   1.808  -3.021
   42    HZ2  TRP   4           2HZ      TRP   4   2.331  -1.949  -6.050
   43    HZ3  TRP   4           3HZ      TRP   4   2.445   2.268  -5.188
   44    HH2  TRP   4           HH       TRP   4   1.844   0.404  -6.714
   45    HB2  TRP   4           1HB      TRP   4   5.253   0.636  -1.149
   46    HB3  TRP   4           2HB      TRP   4   5.455  -0.915  -0.387
   47    H    PHE   5           H        PHE   5   1.134   0.339   0.224
   48    HA   PHE   5           HA       PHE   5   1.082   2.947  -1.198
   49    HD1  PHE   5           2HD      PHE   5   0.429   3.425  -3.511
   50    HD2  PHE   5           1HD      PHE   5  -2.967   1.226  -2.015
   51    HE1  PHE   5           2HE      PHE   5  -1.099   4.888  -4.814
   52    HE2  PHE   5           1HE      PHE   5  -4.488   2.691  -3.318
   53    HZ   PHE   5           HZ       PHE   5  -3.557   4.528  -4.710
   54    HB2  PHE   5           1HB      PHE   5   0.468   0.903  -2.518
   55    HB3  PHE   5           2HB      PHE   5  -0.816   0.581  -1.359
   56    H    ARG   6           H        ARG   6   1.252   2.913   1.617
   57    HA   ARG   6           HA       ARG   6   0.343   3.517   3.542
   58    HE   ARG   6           HE       ARG   6  -0.753   5.179  -0.624
   59    HB2  ARG   6           1HB      ARG   6  -1.695   5.031   1.868
   60    HB3  ARG   6           2HB      ARG   6  -1.266   5.326   3.536
   61    HG2  ARG   6           1HG      ARG   6  -0.179   7.004   2.383
   62    HG3  ARG   6           2HG      ARG   6   1.087   5.870   2.820
   63    HD2  ARG   6           1HD      ARG   6   1.348   6.845   0.546
   64    HD3  ARG   6           2HD      ARG   6   1.262   5.096   0.512
   65   HH11  ARG   6          1HH2      ARG   6   0.031   8.484   0.463
   66   HH12  ARG   6          2HH2      ARG   6  -1.233   9.207  -0.506
   67   HH21  ARG   6          1HH1      ARG   6  -2.366   6.161  -1.858
   68   HH22  ARG   6          2HH1      ARG   6  -2.584   7.896  -1.813
  Start of MODEL    7
    1    HA   ARG   1           HA       ARG   1  -3.120   0.605   3.968
    2    HE   ARG   1           HE       ARG   1  -5.699   2.426   3.601
    3    H1   ARG   1           1H       ARG   1  -0.913   0.960   2.118
    4    HB2  ARG   1           1HB      ARG   1  -4.101   2.165   2.307
    5    HB3  ARG   1           2HB      ARG   1  -3.594   1.121   0.990
    6    HG2  ARG   1           1HG      ARG   1  -5.969   0.866   1.429
    7    HG3  ARG   1           2HG      ARG   1  -5.122  -0.644   1.743
    8    HD2  ARG   1           1HD      ARG   1  -6.831  -0.238   3.433
    9    HD3  ARG   1           2HD      ARG   1  -5.228  -0.228   4.178
   10   HH11  ARG   1          1HH2      ARG   1  -7.504  -0.016   5.466
   11   HH12  ARG   1          2HH2      ARG   1  -8.181   1.170   6.559
   12   HH21  ARG   1          1HH1      ARG   1  -6.601   3.925   5.047
   13   HH22  ARG   1          2HH1      ARG   1  -7.672   3.389   6.321
   14    H    ARG   2           H        ARG   2  -2.310  -0.498   0.610
   15    HA   ARG   2           HA       ARG   2  -2.536  -3.231   1.058
   16    HE   ARG   2           HE       ARG   2  -2.924  -3.676  -3.781
   17    HB2  ARG   2           1HB      ARG   2  -2.496  -2.036  -1.122
   18    HB3  ARG   2           2HB      ARG   2  -0.749  -1.844  -0.974
   19    HG2  ARG   2           1HG      ARG   2  -0.601  -4.404  -0.796
   20    HG3  ARG   2           2HG      ARG   2  -2.323  -4.455  -1.179
   21    HD2  ARG   2           1HD      ARG   2  -0.079  -3.345  -2.923
   22    HD3  ARG   2           2HD      ARG   2  -0.947  -4.858  -3.165
   23   HH11  ARG   2          1HH1      ARG   2  -0.106  -1.511  -3.462
   24   HH12  ARG   2          2HH1      ARG   2  -0.837  -0.259  -4.439
   25   HH21  ARG   2          1HH2      ARG   2  -3.812  -2.026  -5.046
   26   HH22  ARG   2          2HH2      ARG   2  -2.918  -0.549  -5.329
   27    H    TRP   3           H        TRP   3   0.734  -2.199   0.168
   28    HA   TRP   3           HA       TRP   3   1.944  -3.475   2.555
   29    HD1  TRP   3           HD       TRP   3   1.933  -6.679   1.799
   30    HE1  TRP   3           1HE      TRP   3   3.955  -8.065   2.544
   31    HE3  TRP   3           3HE      TRP   3   5.636  -3.423   0.495
   32    HZ2  TRP   3           2HZ      TRP   3   6.837  -7.718   2.701
   33    HZ3  TRP   3           3HZ      TRP   3   8.008  -3.949   0.978
   34    HH2  TRP   3           HH       TRP   3   8.619  -6.088   2.083
   35    HB2  TRP   3           1HB      TRP   3   1.589  -4.771   0.253
   36    HB3  TRP   3           2HB      TRP   3   2.935  -3.803  -0.287
   37    H    TRP   4           H        TRP   4   1.933  -0.987   0.127
   38    HA   TRP   4           HA       TRP   4   4.093   0.560   1.368
   39    HD1  TRP   4           HD       TRP   4   4.450  -2.715  -1.582
   40    HE1  TRP   4           1HE      TRP   4   3.274  -3.046  -3.813
   41    HE3  TRP   4           3HE      TRP   4   3.430   2.186  -2.686
   42    HZ2  TRP   4           2HZ      TRP   4   1.936  -1.400  -5.798
   43    HZ3  TRP   4           3HZ      TRP   4   2.171   2.766  -4.733
   44    HH2  TRP   4           HH       TRP   4   1.412   0.987  -6.291
   45    HB2  TRP   4           1HB      TRP   4   5.135   0.920  -0.903
   46    HB3  TRP   4           2HB      TRP   4   5.378  -0.677  -0.243
   47    H    PHE   5           H        PHE   5   1.102   0.238  -0.205
   48    HA   PHE   5           HA       PHE   5   0.981   2.967  -1.325
   49    HD1  PHE   5           2HD      PHE   5  -0.086   3.702  -3.432
   50    HD2  PHE   5           1HD      PHE   5  -3.179   1.164  -1.813
   51    HE1  PHE   5           2HE      PHE   5  -1.818   5.119  -4.503
   52    HE2  PHE   5           1HE      PHE   5  -4.902   2.585  -2.889
   53    HZ   PHE   5           HZ       PHE   5  -4.226   4.564  -4.233
   54    HB2  PHE   5           1HB      PHE   5   0.175   1.100  -2.702
   55    HB3  PHE   5           2HB      PHE   5  -0.934   0.606  -1.422
   56    H    ARG   6           H        ARG   6   1.359   2.746   1.503
   57    HA   ARG   6           HA       ARG   6   0.604   3.216   3.532
   58    HE   ARG   6           HE       ARG   6   2.168   7.557   1.137
   59    HB2  ARG   6           1HB      ARG   6  -1.322   5.099   2.119
   60    HB3  ARG   6           2HB      ARG   6  -0.739   5.207   3.770
   61    HG2  ARG   6           1HG      ARG   6   0.447   6.834   2.644
   62    HG3  ARG   6           2HG      ARG   6   1.617   5.527   2.838
   63    HD2  ARG   6           1HD      ARG   6   1.469   4.952   0.500
   64    HD3  ARG   6           2HD      ARG   6  -0.022   5.895   0.297
   65   HH11  ARG   6          1HH1      ARG   6   0.855   5.896  -1.730
   66   HH12  ARG   6          2HH1      ARG   6   1.574   7.032  -2.849
   67   HH21  ARG   6          1HH2      ARG   6   3.079   9.010  -0.358
   68   HH22  ARG   6          2HH2      ARG   6   2.829   8.787  -2.074
  Start of MODEL    8
    1    HA   ARG   1           HA       ARG   1  -3.493   0.654   3.826
    2    HE   ARG   1           HE       ARG   1  -7.683  -0.792   3.242
    3    H1   ARG   1           1H       ARG   1  -0.991   0.808   2.500
    4    HB2  ARG   1           1HB      ARG   1  -4.180   2.224   1.985
    5    HB3  ARG   1           2HB      ARG   1  -3.549   1.102   0.791
    6    HG2  ARG   1           1HG      ARG   1  -5.915   0.882   0.873
    7    HG3  ARG   1           2HG      ARG   1  -5.230  -0.597   1.560
    8    HD2  ARG   1           1HD      ARG   1  -5.695   0.211   3.839
    9    HD3  ARG   1           2HD      ARG   1  -6.252   1.766   3.210
   10   HH11  ARG   1          1HH1      ARG   1  -7.655   2.503   1.872
   11   HH12  ARG   1          2HH1      ARG   1  -9.359   2.458   1.479
   12   HH21  ARG   1          1HH2      ARG   1  -9.881  -0.792   2.715
   13   HH22  ARG   1          2HH2      ARG   1 -10.610   0.602   1.954
   14    H    ARG   2           H        ARG   2  -2.186  -0.430   0.639
   15    HA   ARG   2           HA       ARG   2  -2.442  -3.217   1.102
   16    HE   ARG   2           HE       ARG   2  -2.551  -3.704  -3.715
   17    HB2  ARG   2           1HB      ARG   2  -2.374  -2.065  -1.093
   18    HB3  ARG   2           2HB      ARG   2  -0.666  -1.708  -0.859
   19    HG2  ARG   2           1HG      ARG   2  -0.270  -4.239  -0.691
   20    HG3  ARG   2           2HG      ARG   2  -1.956  -4.462  -1.146
   21    HD2  ARG   2           1HD      ARG   2   0.220  -3.067  -2.772
   22    HD3  ARG   2           2HD      ARG   2  -0.444  -4.670  -3.078
   23   HH11  ARG   2          2HH1      ARG   2   0.067  -1.290  -3.437
   24   HH12  ARG   2          1HH1      ARG   2  -0.798  -0.108  -4.391
   25   HH21  ARG   2          1HH2      ARG   2  -3.610  -2.134  -4.948
   26   HH22  ARG   2          2HH2      ARG   2  -2.856  -0.582  -5.242
   27    H    TRP   3           H        TRP   3   0.801  -2.275   0.208
   28    HA   TRP   3           HA       TRP   3   2.016  -3.212   2.738
   29    HD1  TRP   3           HD       TRP   3   1.838  -6.456   2.618
   30    HE1  TRP   3           1HE      TRP   3   3.846  -7.840   3.418
   31    HE3  TRP   3           3HE      TRP   3   5.542  -3.757   0.414
   32    HZ2  TRP   3           2HZ      TRP   3   6.752  -7.703   3.196
   33    HZ3  TRP   3           3HZ      TRP   3   7.926  -4.380   0.718
   34    HH2  TRP   3           HH       TRP   3   8.538  -6.348   2.105
   35    HB2  TRP   3           1HB      TRP   3   1.471  -4.867   0.746
   36    HB3  TRP   3           2HB      TRP   3   2.810  -4.087  -0.051
   37    H    TRP   4           H        TRP   4   1.982  -1.066   0.032
   38    HA   TRP   4           HA       TRP   4   4.365   0.413   0.877
   39    HD1  TRP   4           HD       TRP   4   4.188  -3.233  -1.556
   40    HE1  TRP   4           1HE      TRP   4   2.921  -3.814  -3.675
   41    HE3  TRP   4           3HE      TRP   4   3.556   1.499  -3.449
   42    HZ2  TRP   4           2HZ      TRP   4   1.755  -2.419  -5.936
   43    HZ3  TRP   4           3HZ      TRP   4   2.355   1.830  -5.583
   44    HH2  TRP   4           HH       TRP   4   1.457  -0.115  -6.839
   45    HB2  TRP   4           1HB      TRP   4   5.196   0.407  -1.523
   46    HB3  TRP   4           2HB      TRP   4   5.394  -1.090  -0.655
   47    H    PHE   5           H        PHE   5   1.217   0.458   0.321
   48    HA   PHE   5           HA       PHE   5   1.094   3.036  -1.150
   49    HD1  PHE   5           1HD      PHE   5   0.158   3.740  -3.252
   50    HD2  PHE   5           2HD      PHE   5  -2.900   0.961  -2.007
   51    HE1  PHE   5           1HE      PHE   5  -1.556   5.082  -4.444
   52    HE2  PHE   5           2HE      PHE   5  -4.604   2.305  -3.207
   53    HZ   PHE   5           HZ       PHE   5  -3.936   4.366  -4.424
   54    HB2  PHE   5           1HB      PHE   5   0.483   1.064  -2.533
   55    HB3  PHE   5           2HB      PHE   5  -0.706   0.590  -1.330
   56    H    ARG   6           H        ARG   6   1.288   2.619   1.765
   57    HA   ARG   6           HA       ARG   6   0.348   3.108   3.720
   58    HE   ARG   6           HE       ARG   6   2.508   7.383   1.805
   59    HB2  ARG   6           1HB      ARG   6  -1.224   5.139   2.079
   60    HB3  ARG   6           2HB      ARG   6  -0.916   5.189   3.806
   61    HG2  ARG   6           1HG      ARG   6   0.563   6.725   2.954
   62    HG3  ARG   6           2HG      ARG   6   1.578   5.319   3.281
   63    HD2  ARG   6           1HD      ARG   6   1.676   4.796   0.891
   64    HD3  ARG   6           2HD      ARG   6   0.446   6.025   0.532
   65   HH11  ARG   6          1HH1      ARG   6   2.224   5.428  -1.160
   66   HH12  ARG   6          2HH1      ARG   6   3.506   6.292  -1.978
   67   HH21  ARG   6          1HH2      ARG   6   4.166   8.475   0.702
   68   HH22  ARG   6          2HH2      ARG   6   4.600   8.010  -0.926
  Start of MODEL    9
    1    HA   ARG   1           HA       ARG   1  -2.713   0.443   4.203
    2    HE   ARG   1           HE       ARG   1  -6.053  -1.941   5.119
    3    H1   ARG   1           1H       ARG   1  -1.009   1.072   1.950
    4    HB2  ARG   1           1HB      ARG   1  -4.262   1.861   2.862
    5    HB3  ARG   1           2HB      ARG   1  -3.964   0.858   1.446
    6    HG2  ARG   1           1HG      ARG   1  -6.066   0.215   2.398
    7    HG3  ARG   1           2HG      ARG   1  -4.928  -1.105   2.675
    8    HD2  ARG   1           1HD      ARG   1  -4.569  -0.180   5.023
    9    HD3  ARG   1           2HD      ARG   1  -5.863   0.979   4.705
   10   HH11  ARG   1          1HH1      ARG   1  -7.870   1.024   4.305
   11   HH12  ARG   1          2HH1      ARG   1  -9.410   0.294   4.698
   12   HH21  ARG   1          1HH2      ARG   1  -8.058  -2.820   5.613
   13   HH22  ARG   1          2HH2      ARG   1  -9.516  -1.872   5.434
   14    H    ARG   2           H        ARG   2  -2.502  -0.520   0.724
   15    HA   ARG   2           HA       ARG   2  -2.587  -3.187   0.837
   16    HE   ARG   2           HE       ARG   2  -2.972  -2.881  -3.649
   17    HB2  ARG   2           1HB      ARG   2  -2.450  -1.739  -1.161
   18    HB3  ARG   2           2HB      ARG   2  -0.714  -1.551  -0.915
   19    HG2  ARG   2           1HG      ARG   2  -0.469  -4.062  -1.168
   20    HG3  ARG   2           2HG      ARG   2  -2.190  -4.144  -1.560
   21    HD2  ARG   2           1HD      ARG   2  -0.047  -2.581  -3.067
   22    HD3  ARG   2           2HD      ARG   2  -0.767  -4.108  -3.586
   23   HH11  ARG   2          1HH2      ARG   2   0.059  -1.078  -4.226
   24   HH12  ARG   2          2HH2      ARG   2  -0.756   0.177  -5.129
   25   HH21  ARG   2          1HH1      ARG   2  -3.958  -1.233  -4.821
   26   HH22  ARG   2          2HH1      ARG   2  -3.012   0.089  -5.465
   27    H    TRP   3           H        TRP   3   0.703  -1.957   0.335
   28    HA   TRP   3           HA       TRP   3   1.893  -3.567   2.497
   29    HD1  TRP   3           HD       TRP   3   1.714  -6.617   1.706
   30    HE1  TRP   3           1HE      TRP   3   3.680  -8.170   2.310
   31    HE3  TRP   3           3HE      TRP   3   5.533  -3.578   0.295
   32    HZ2  TRP   3           2HZ      TRP   3   6.589  -8.053   2.202
   33    HZ3  TRP   3           3HZ      TRP   3   7.896  -4.293   0.552
   34    HH2  TRP   3           HH       TRP   3   8.431  -6.528   1.496
   35    HB2  TRP   3           1HB      TRP   3   1.456  -4.715   0.120
   36    HB3  TRP   3           2HB      TRP   3   2.831  -3.761  -0.375
   37    H    TRP   4           H        TRP   4   1.908  -0.971   0.173
   38    HA   TRP   4           HA       TRP   4   4.056   0.506   1.481
   39    HD1  TRP   4           HD       TRP   4   4.458  -2.699  -1.549
   40    HE1  TRP   4           1HE      TRP   4   3.421  -2.929  -3.857
   41    HE3  TRP   4           3HE      TRP   4   3.703   2.262  -2.572
   42    HZ2  TRP   4           2HZ      TRP   4   2.302  -1.178  -5.887
   43    HZ3  TRP   4           3HZ      TRP   4   2.651   2.947  -4.702
   44    HH2  TRP   4           HH       TRP   4   1.934   1.242  -6.359
   45    HB2  TRP   4           1HB      TRP   4   5.216   0.887  -0.715
   46    HB3  TRP   4           2HB      TRP   4   5.380  -0.738  -0.098
   47    H    PHE   5           H        PHE   5   1.089   0.277  -0.121
   48    HA   PHE   5           HA       PHE   5   1.103   3.005  -1.279
   49    HD1  PHE   5           1HD      PHE   5   0.428   3.453  -3.789
   50    HD2  PHE   5           2HD      PHE   5  -3.038   1.630  -1.977
   51    HE1  PHE   5           1HE      PHE   5  -1.052   4.902  -5.153
   52    HE2  PHE   5           2HE      PHE   5  -4.509   3.097  -3.330
   53    HZ   PHE   5           HZ       PHE   5  -3.521   4.731  -4.922
   54    HB2  PHE   5           1HB      PHE   5   0.409   1.103  -2.707
   55    HB3  PHE   5           2HB      PHE   5  -0.876   0.714  -1.565
   56    H    ARG   6           H        ARG   6   1.298   2.915   1.488
   57    HA   ARG   6           HA       ARG   6   0.481   3.479   3.446
   58    HE   ARG   6           HE       ARG   6   2.151   7.614   1.453
   59    HB2  ARG   6           1HB      ARG   6  -1.529   5.089   1.827
   60    HB3  ARG   6           2HB      ARG   6  -1.194   5.277   3.538
   61    HG2  ARG   6           1HG      ARG   6   0.021   6.975   2.610
   62    HG3  ARG   6           2HG      ARG   6   1.247   5.744   2.920
   63    HD2  ARG   6           1HD      ARG   6   1.338   5.187   0.538
   64    HD3  ARG   6           2HD      ARG   6  -0.082   6.206   0.216
   65   HH11  ARG   6          1HH1      ARG   6   0.780   6.607  -1.681
   66   HH12  ARG   6          2HH1      ARG   6   1.604   7.874  -2.561
   67   HH21  ARG   6          1HH2      ARG   6   3.187   9.237   0.271
   68   HH22  ARG   6          2HH2      ARG   6   2.961   9.359  -1.459
  Start of MODEL   10
    1    HA   ARG   1           HA       ARG   1  -2.995   0.497   4.173
    2    HE   ARG   1           HE       ARG   1  -8.146  -0.954   2.198
    3    H1   ARG   1           1H       ARG   1  -1.118   1.158   2.072
    4    HB2  ARG   1           1HB      ARG   1  -4.373   1.934   2.622
    5    HB3  ARG   1           2HB      ARG   1  -4.083   0.769   1.328
    6    HG2  ARG   1           1HG      ARG   1  -5.221  -0.992   2.670
    7    HG3  ARG   1           2HG      ARG   1  -5.428   0.162   4.005
    8    HD2  ARG   1           1HD      ARG   1  -6.791   1.623   2.502
    9    HD3  ARG   1           2HD      ARG   1  -6.601   0.437   1.203
   10   HH11  ARG   1          1HH2      ARG   1  -7.378   1.648   4.517
   11   HH12  ARG   1          2HH2      ARG   1  -8.709   1.232   5.571
   12   HH21  ARG   1          1HH1      ARG   1  -9.851  -1.443   3.597
   13   HH22  ARG   1          2HH1      ARG   1 -10.100  -0.509   5.054
   14    H    ARG   2           H        ARG   2  -2.397  -0.487   0.711
   15    HA   ARG   2           HA       ARG   2  -2.525  -3.198   1.032
   16    HE   ARG   2           HE       ARG   2  -2.589  -3.434  -3.929
   17    HB2  ARG   2           1HB      ARG   2  -2.468  -1.906  -1.100
   18    HB3  ARG   2           2HB      ARG   2  -0.727  -1.709  -0.917
   19    HG2  ARG   2           1HG      ARG   2  -0.655  -4.327  -0.784
   20    HG3  ARG   2           2HG      ARG   2  -2.313  -4.272  -1.373
   21    HD2  ARG   2           1HD      ARG   2   0.150  -3.113  -2.757
   22    HD3  ARG   2           2HD      ARG   2  -0.647  -4.628  -3.168
   23   HH11  ARG   2          1HH1      ARG   2   0.250  -1.330  -3.407
   24   HH12  ARG   2          2HH1      ARG   2  -0.353  -0.094  -4.486
   25   HH21  ARG   2          1HH2      ARG   2  -3.302  -1.812  -5.321
   26   HH22  ARG   2          2HH2      ARG   2  -2.349  -0.366  -5.562
   27    H    TRP   3           H        TRP   3   0.739  -2.090   0.228
   28    HA   TRP   3           HA       TRP   3   1.978  -3.486   2.522
   29    HD1  TRP   3           HD       TRP   3   1.626  -6.618   2.003
   30    HE1  TRP   3           1HE      TRP   3   3.547  -8.155   2.750
   31    HE3  TRP   3           3HE      TRP   3   5.533  -3.879   0.229
   32    HZ2  TRP   3           2HZ      TRP   3   6.453  -8.135   2.637
   33    HZ3  TRP   3           3HZ      TRP   3   7.872  -4.627   0.581
   34    HH2  TRP   3           HH       TRP   3   8.341  -6.751   1.779
   35    HB2  TRP   3           1HB      TRP   3   1.388  -4.834   0.291
   36    HB3  TRP   3           2HB      TRP   3   2.780  -4.005  -0.348
   37    H    TRP   4           H        TRP   4   2.011  -1.063   0.025
   38    HA   TRP   4           HA       TRP   4   4.340   0.337   1.097
   39    HD1  TRP   4           HD       TRP   4   4.288  -3.102  -1.643
   40    HE1  TRP   4           1HE      TRP   4   3.155  -3.479  -3.879
   41    HE3  TRP   4           3HE      TRP   4   4.011   1.766  -3.235
   42    HZ2  TRP   4           2HZ      TRP   4   2.188  -1.878  -6.091
   43    HZ3  TRP   4           3HZ      TRP   4   2.997   2.295  -5.423
   44    HH2  TRP   4           HH       TRP   4   2.072   0.491  -6.856
   45    HB2  TRP   4           1HB      TRP   4   5.371   0.479  -1.208
   46    HB3  TRP   4           2HB      TRP   4   5.468  -1.094  -0.471
   47    H    PHE   5           H        PHE   5   1.241   0.521   0.500
   48    HA   PHE   5           HA       PHE   5   1.253   3.084  -0.991
   49    HD1  PHE   5           1HD      PHE   5   1.336   3.200  -3.617
   50    HD2  PHE   5           2HD      PHE   5  -2.602   2.006  -2.323
   51    HE1  PHE   5           1HE      PHE   5   0.327   4.822  -5.191
   52    HE2  PHE   5           2HE      PHE   5  -3.606   3.650  -3.879
   53    HZ   PHE   5           HZ       PHE   5  -2.149   5.049  -5.330
   54    HB2  PHE   5           1HB      PHE   5   0.855   0.985  -2.426
   55    HB3  PHE   5           2HB      PHE   5  -0.657   0.787  -1.554
   56    H    ARG   6           H        ARG   6   1.146   3.082   1.717
   57    HA   ARG   6           HA       ARG   6   0.064   3.811   3.498
   58    HE   ARG   6           HE       ARG   6   0.726   5.987   4.392
   59    HB2  ARG   6           1HB      ARG   6  -2.125   4.836   1.667
   60    HB3  ARG   6           2HB      ARG   6  -1.630   5.475   3.224
   61    HG2  ARG   6           1HG      ARG   6  -0.127   5.640   0.586
   62    HG3  ARG   6           2HG      ARG   6  -0.836   6.955   1.512
   63    HD2  ARG   6           1HD      ARG   6   1.566   5.266   2.326
   64    HD3  ARG   6           2HD      ARG   6   1.610   6.917   1.722
   65   HH11  ARG   6          1HH2      ARG   6   1.103   8.808   2.238
   66   HH12  ARG   6          2HH2      ARG   6   0.838   9.951   3.536
   67   HH21  ARG   6          1HH1      ARG   6   0.374   7.503   6.018
   68   HH22  ARG   6          2HH1      ARG   6   0.429   9.215   5.665