*HEADER    ANTIMICROBIAL PROTEIN                   01-JUN-05   1ZUV              
*TITLE     24 NMR STRUCTURES OF ACAMP2-LIKE PEPTIDE WITH PHENYLALANINE           
*TITLE    2 18 MUTATED TO TRYPTOPHAN                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2;               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ACMP2;                                                      
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE RESIDUE PHE18 WAS CHANGED TO                      
*SOURCE   4 TRYPTOPHAN. THE SEQUENCE BY STANDARD SOLID PHASE SYNTHESIS           
*SOURCE   5 USING FMOC CHEMISTRY ACCORDING TO STANDARD PROTOCOLS.                
*KEYWDS    ALFA-HELIX, ANTI-PARALLEL BETA-SHEET                                  
*EXPDTA    NMR, 24 STRUCTURES                                                    
*AUTHOR    M.I.CHAVEZ, C.ANDREU, P.VIDAL, F.FREIRE, N.ABOITIZ,                   
*AUTHOR   2 P.GROVES, J.L.ASENSIO, G.ASENSIO, M.MURAKI, F.J.CANADA,              
*AUTHOR   3 J.JIMENEZ-BARBERO                                                    
*REVDAT   1   06-DEC-05 1ZUV    0                                                


 1 VAL
  HA      3 GLU  HN      5.00
  HA      2 GLY  HN      3.50
  HA      1 VAL  QG1     5.00
  HA      1 VAL  QG2     5.00
  HB      2 GLY  HN      5.00
  HB      1 VAL  QG2     3.50
  HB      1 VAL  QG2     3.50
  QG1     2 GLY  HN      5.00
  QG2     2 GLY  HN      5.00
  QG2    20 TYR  CG      7.20
  QG2    20 TYR  CZ      7.20
  2 GLY
       HN      3 GLU  HN      3.50
  HA1     3 GLU  HN      5.00
  3 GLU
       HN      4 CYSS HN      5.00
  HN     20 TYR  CG      7.20
  HN     20 TYR  CZ      7.20
  HN      3 GLU  HG2 5.00
  HN      3 GLU  HB2 3.50
  HA      4 CYSS HN      2.50
  HA     20 TYR  CG      7.20
  HA     20 TYR  CZ      7.20
  HA     20 TYR  HA      5.00
  HA      3 GLU  HG2     5.00
  HB2     4 CYSS HN      3.50
  HB2    20 TYR  CG      7.20
  HB2    20 TYR  CZ      7.20
  HB2    20 TYR  HA      5.00
       HG2     4 CYSS HN      5.00
  HG2    20 TYR  CG      7.20
  HG2    20 TYR  CZ      7.20
  4 CYSS
  HN     20 TYR  HN      5.00
  HN     20 TYR  CG      5.00
  HN     21 CYSS HN      5.00
  HN      5 VAL  HN      5.00
  HN     20 TYR  HA      3.50
  HN      4 CYSS HB2     5.00
  HN      4 CYSS HB3     3.50
  HA      5 VAL  QG2     5.00
  HA      5 VAL  HN      2.50
  HA      8 ARG  HN      5.00
  HB2     7 GLY  HN      5.00
  HB2     8 ARG  HN      5.00
  HB2     5 VAL  HN      3.50
  HB2     7 GLY  HA1     5.00
  HB2     7 GLY  HA2     5.00
  HB3     5 VAL  HN      5.00
  HB3     7 GLY  HN      5.00
  HB3     8 ARG  HN      5.00
  HB3     7 GLY  HA1     3.50
  HB3     7 GLY  HA2     5.00
  HB3     5 VAL  QG2     5.00
  5 VAL
  HN      6 ARG  HN      5.00
  HN      8 ARG  HN      3.50
  HN      9 CYSS HA      5.00
  HN      8 ARG  HA      5.00
  HN      5 VAL  HB      3.50
  HN      5 VAL  QG1     5.00
  HN      5 VAL  QG2     3.50
  HA      6 ARG  HN      3.50
  HA      5 VAL  QG1     3.50
  HA      5 VAL  QG2     3.50
  HB      6 ARG  HN      5.00
  HB      5 VAL  QG1     2.50
  HB      5 VAL  QG2     2.50
       QG1     6 ARG  HN      5.00
  QG1     7 GLY  HN      5.00
  QG1     8 ARG  HN      5.00
  QG1     6 ARG  HA      5.00
  QG1     6 ARG  HB2     5.00
  QG1     6 ARG  HG2     3.50
  QG1     6 ARG  HD2     5.00
  QG1     8 ARG  HD2     5.00
  QG2     6 ARG  HN      5.00
  QG2     7 GLY  HN      5.00
  QG2     8 ARG  HN      5.00
  6 ARG       
     HN      7 GLY  HN      5.00
  HN      8 ARG  HN      5.00
   HN      6 ARG  HB3     5.00
  HN      6 ARG  HB2     5.00
  HN      6 ARG  HG2     3.50
  HA      8 ARG  HN      5.00
  HA      6 ARG  HG2     3.50
  HA      7 GLY  HN      3.50
  HA      6 ARG  HD2     5.00
  HA      6 ARG  HD3     5.00
  HB2     7 GLY  HN      5.00
  HB2     6 ARG  HE      5.00
  HB2     6 ARG  HD2     3.50
  HB2     6 ARG  HD3     5.00
  HB3     7 GLY  HN      5.00
  HB3     6 ARG  HE      5.00
  HB3     6 ARG  HD2     3.50
  HB3     6 ARG  HD3     5.00
  HG2     7 GLY  HN      5.00
  7 GLY
       HN      8 ARG  HN      3.50
  HA1     8 ARG  HN      5.00
  HA2     8 ARG  HN      3.50
  8 ARG               
       HN      9 CYSS HN      5.00
  HN      8 ARG  HB2     3.50
  HN      8 ARG  HB3     3.50
  HN      8 ARG  HG2     3.50
  HN      8 ARG  HG3     3.50
  HN      8 ARG  HD2     5.00
  HA      9 CYSS HN      2.50
   HA      8 ARG  HD2     5.00 
  HA     15 CYSS HB2     5.00
  HA     15 CYSS HB3 5.00
  HA      8 ARG  HG2     3.50 
  HA      8 ARG  HG3     5.00 
  HB2     9 CYSS HN      5.00
  HB2     8 ARG  HD2     3.50 
   HB3     9 CYSS HN      3.50
  HB3     8 ARG  HE      5.00
  HB3     8 ARG  HD2     3.50
  HG2     9 CYSS HN      5.00
  HG2     8 ARG  HE      5.00
   HG3     9 CYSS HN      5.00
  HD2     9 CYSS HN      5.00
  HD2     8 ARG  HE      5.00

  9 CYSS
  HN      9 CYSS HB3     5.00
  HN      9 CYSS HB2     3.50
  HN     10 PRO  HD2     5.00
  HN     10 PRO  HD3     5.00
  HA     10 PRO  HD2     5.00
  HA     10 PRO  HD3     3.50
  HB2    13 MET  HN      5.00
  HB2    15 CYSS HN      5.00
  HB2    10 PRO  HD2     3.50
  HB2    10 PRO  HD3     5.00
  HB2    13 MET  HB2     5.00
  HB3    13 MET  HN      5.00
  HB3    14 CYSS HN      5.00
  HB3    15 CYSS HN      5.00
  HB3    10 PRO  HD2     3.50
  HB3    10 PRO  HD3     3.50
  HB3    10 PRO  HG2     5.00
  HB3    13 MET  HB2     3.50
  HB3    13 MET  HB3     2.50  
  HB3    13 MET  HG2     5.00
 10 PRO
  HA     10 PRO  HG2     5.00
  HA     10 PRO  HG3     5.00
  HA     10 PRO  HD3     5.00
  HA     11 SER  HN      2.50
  HA     13 MET  HN      5.00
  HA     11 SER  HA      5.00
  HA     11 SER  HB2     5.00
  HB2    11 SER  HN      3.50
  HB2    10 PRO  HD2     5.00
  HB2    10 PRO  HD3     5.00
  HB3    11 SER  HN      3.50
  HB3    10 PRO  HD2     5.00
  HB3    10 PRO  HD3     5.00
  HD2    13 MET  HG2     5.00
 11 SER
       HN     12 GLY  HN      5.00
       HN     13 MET  HN      5.00
  HN     11 SER  HB2     3.50
  HA     12 GLY  HN      2.50
  HA     13 MET  HN      5.00
  HB2    12 GLY  HN      5.00
  HB2    13 MET  HN      5.00
        
 12 GLY
       HN      13 MET  HN     3.50
  HN      13 MET  HB3    5.00
       HA1     13 MET  HN     5.00
  HA2     13 MET  HN     5.00
 13 MET
       HN      14 CYSS HN     5.00
  HN      13 MET  HB2    3.50
  HN      13 MET  HB3    3.50
  HN      13 MET  HG2    3.50
       HA      14 CYSS HN     3.50
  HA      22 GLY  HN     5.00
  HA      13 MET  HG2    5.00
  HA      23 LYS  HB2    5.00
  HA      23 LYS  HG2    5.00
  HA      23 LYS  HG3    5.00
  HB2     14 CYSS HN     3.50
  HB2     22 GLY  HN     5.00
  HB3     14 CYSS HN     3.50
  HB3     22 GLY  HN     5.00
  HG2     14 CYSS HN     5.00
 14 CYSS
       HN      15 CYSS HN     5.00
       HN      22 GLY  HN     3.50
  HN      21 CYSS HA     5.00
  HN      23 LYS  HA     5.00
  HN      14 CYSS HB3    5.00
  HN      27 TYR  HB3    5.00
  HN      14 CYSS HB2    3.50
  HN      27 TYR  HB2    5.00
  HN      23 LYS  HG3    5.00
  HA      15 CYSS HN     2.50
  HA      15 CYSS HB2    5.00
  HA      15 CYSS HB3    5.00
  HB2     15 CYSS HN     5.00
  HB2     28 CYSS HN     5.00
  HB2     23 LYS  HA     5.00
  HB2     27 TYR  HB3    3.50
  HB2     27 TYR  HB2    3.50
  HB2     28 CYSS HA     3.50
  HB3     15 CYSS HN     5.00
  HB3     28 CYSS HN     5.00
  HB3     28 CYSS HA     3.50
  HB3     28 CYSS HB3    5.00
  HB3     27 TYR  HB3    5.00
  HB3     27 TYR  HB2    5.00
 15 CYSS
       HN      16 SER  HN     5.00
  HN      21 CYSS HA     5.00
  HN      15 CYSS HB2    3.50
  HN      15 CYSS HB3    3.50
  HA      16 SER  HN     2.50
  HA      22 GLY  HN     5.00
  HA      21 CYSS HA     3.50
  HB2     16 SER  HN     5.00
  HB3     16 SER  HN     5.00
 16 SER
       HN      17 GLN  HN     5.00
  HN      19 GLY  HN     5.00
       HN      20 TYR  HN     5.00
       HN      27 TYR  CG     7.20
  HN      21 CYSS HA     5.00
  HN      27 TYR  HA     5.00
  HN      16 SER  HB3    3.50
       HN      16 SER  HB2    5.00
       HA      17 GLN  HN     3.50
  HA      27 TYR  CG     5.00
  HA      27 TYR  HA     5.00
  HA      27 TYR  HB3    5.00
  HB2     17 GLN  HN     5.00
  HB2     27 TYR  CG     5.70
  HB2     20 TYR  HN     5.00
       HB2     18 TRP  HN     5.50
  HB2     27 TYR  HA     5.00
  HB2     27 TYR  HB3    5.00
  HB3     17 GLN  HN     5.00
  HB3     18 TRP  HN     5.00
  HB3     27 TYR  CG     5.00
  HB3     20 TYR  HN     5.00
  HB3     27 TYR  HA     5.00
  HB3     27 TYR  HB3    5.00  
 17 GLN
       HN      18 TRP  HN     5.00
  HN      27 TYR  HA     5.00
  HN      17 GLN  HB2    5.00
       HN      17 GLN  HB3    5.00
       HN      17 GLN  HG3    5.00
       HN      17 GLN  HG2    5.00
  HA      17 GLN  HG2    5.00
  HA      17 GLN  HG3    5.00
  HA      18 TRP  HN     5.00
  HB2     17 GLN  HE22   5.00
  HG2     17 GLN  HE22   5.00
  HG2     17 GLN  HE21   5.00
 18 TRP 
       HN      19 GLY  HN     2.50
  HN      18 TRP  HB2    2.50
  HN      18 TRP  HB3    3.50
  HN      20 TYR  HN     5.00
  HN      19 GLY  HA1    5.00
  HB2     19 GLY  HN     5.00
  HB2     20 TYR  HN     3.50
  HB2     20 TYR  CG     7.20
  HB2     20 TYR  CZ     7.20 
  HB3     19 GLY  HN     5.00   
  HB3     20 TYR  CG  5.70  
  HB3     20 TYR  CZ     7.20
  HE1     18 TRP  HZ2    5.00
  HE1     18 TRP  HD1    5.00
       HE3     18 TRP  HZ3    5.00
  HZ2     18 TRP  HD1    5.00
       HZ2     18 TRP  HH2    3.50
 19 GLY
       HN      20 TYR  HN     3.50  
  HN      20 TYR  CG     7.20  
  HA1     20 TYR  HN     3.50  
  HA1     20 TYR  CG     7.20  
  HA1     20 TYR  CZ     7.20  
  HA2     20 TYR  CG     7.20  
  HA2     20 TYR  HN     3.50   
 20 TYR
       HN      21 CYSS HN     5.00  
  HN      20 TYR  CG     5.70
  HN      20 TYR  CZ     7.20
  HN      20 TYR  HB3    5.00
  HN      20 TYR  HB2    3.50  
  CG      21 CYSS HN     5.00
  CG      20 TYR  HA     7.20  
  CG      20 TYR  HB2    7.20  
  CG      20 TYR  HB3    7.20  
  CZ      20 TYR  HA     7.20 
   CZ      20 TYR  HB2    7.20 
  CZ      20 TYR  HB3    7.20
       HA      21 CYSS HN     3.50
  HB2     21 CYSS HN     5.00
  HB3     21 CYSS HN     5.00
 21 CYSS 
       HN      21 CYSS HB2    3.50
  HA      22 GLY  HN     2.50
  HA      27 TYR  CG     7.20
  HB2     22 GLY  HN     5.00        
 22 GLY  
  HN      23 LYS  HN     5.00
  HN      23 LYS  HB2    5.00
  HA1     23 LYS  HN     3.50
  HA2     23 LYS  HN     3.50
         
 23 LYS 
  HN      23 LYS  HB3    5.00
  HN      23 LYS  HG2    5.00
  HN      23 LYS  HG3    5.00
  HN      23 LYS  HD2    3.50
  HA      24 GLY  HN     2.50
  HA      28 CYSS HN     5.00
  HA      24 GLY  HA1    5.00
  HA      27 TYR  HB2    5.00
  HA      27 TYR  HB3    5.00
  HA      23 LYS  HG2    5.00
  HA      23 LYS  HG3    3.50
  HB2     24 GLY  HN     5.00
  HB2     23 LYS  HE2    5.00 
  HB3     24 GLY  HN     5.00
  HB3     23 LYS  HE2    5.00 
  HG3     24 GLY  HN     5.00
  HG2     23 LYS  HE2    5.00
  HG3     23 LYS  HE2    5.00  
 24 GLY 
  HN      26 LYS  HN     5.00
  HN      25 PRO  HD3    5.00
  HA1     25 PRO  HD2    3.50
  HA1     25 PRO  HD3    3.50
  HA1     26 LYS  HN     5.00
  HA2     26 LYS  HN     5.00
  HA2     25 PRO  HD2    3.50
  HA2     25 PRO  HD3    3.50
 25 PRO  
       HA      26 LYS  HN     3.50
  HA      28 CYSS HN     5.00
  HA      29 GLY  HN     3.50
       HA      27 TYR  HN     5.00
  HA      25 PRO  HD2    5.00
  HA      25 PRO  HD3    5.00
  HA      25 PRO  HG2 5.00
  HA      25 PRO  HG3    5.00
  HA      28 CYSS HB2    5.00
  HA      28 CYSS HB3    5.00
  HB2     29 GLY  HN     5.00
  HB2     25 PRO  HD2    5.00
  HB2     25 PRO  HD3    5.00
  HB3     25 PRO  HD2    5.00
  HB3     25 PRO  HD3    5.00
  HB3     26 LYS  HN     5.00
  HG2     26 LYS  HN     5.00
  HG3     26 LYS  HN     5.00
  HD2     26 LYS  HN     5.00  
  HD3     26 LYS  HN     5.00
 26 LYS
       HN      28 CYSS HN     5.00
  HN      27 TYR  HN     3.50
       HN      27 TYR  CG     7.20
  HN      27 TYR  HA     5.00
  HN      27 TYR  HB2 5.00
  HN      27 TYR  HB3    5.00
       HN      26 LYS  HB3    3.50
       HN      26 LYS  HD2    5.00
       HN      26 LYS  HB2    3.50
       HN      26 LYS  HG2    5.00
  HA      27 TYR  HN     5.00
  HA      26 LYS  HG2    5.00
  HA      26 LYS  HD2    5.00
  HB2     27 TYR  HN     5.00
  HB2     27 TYR  CG     7.20  
  HB2     27 TYR  CZ     7.20 
  HB3     27 TYR  HN     5.00
       HB3     27 TYR  CG     7.20
    HB2     27 TYR  CZ     7.20
  HG3     27 TYR  HN     5.00           
 27 TYR
       HN      28 CYSS HN     3.50
  HN      29 GLY  HN     5.00
  HN      27 TYR  CG     7.20
  HN      27 TYR  HB2    3.50
  HN      27 TYR  HB3    5.00
  HN      28 CYSS HA 5.00
  HN      28 CYSS HB2    5.00
  CG      27 TYR  HA     7.20
  CG      27 TYR  HB3    5.70
  CG      27 TYR  HB2    5.70
  CG      28 CYSS HN     7.20
  HA      28 CYSS HN     5.00
  HB2     28 CYSS HN     3.50
  HB3     28 CYSS HN     3.50
 28 CYSS
  HN      29 GLY  HN     3.50
  HN      28 CYSS HB2    3.50
  HN      28 CYSS HB3    3.50
  HA      29 GLY  HN     5.00
  HB2     29 GLY  HN     5.00
  HB2     30 ARG  HA     5.00
  HB3     29 GLY  HN     5.00
  HB3     30 ARG  HA     5.00
 29 GLY
  HN      30 ARG  HN     5.00
  HA1     30 ARG  HN     3.50
 30 ARG
  HN      30 ARG  HB2    3.50
  HN      30 ARG  HB3    3.50
  HN      30 ARG  HG2    5.00
  
  4 CYSS CB      15 CYSS SG     3.10   
  4 CYSS SG      15 CYSS CB     3.10                
  4 CYSS SG      15 CYSS SG     2.10                
  9 CYSS CB      21 CYSS SG     3.10   
  9 CYSS SG      21 CYSS CB     3.10                
  9 CYSS SG      21 CYSS SG     2.10   
 14 CYSS CB      28 CYSS SG     3.10   
 14 CYSS SG      28 CYSS CB     3.10                
 14 CYSS SG      28 CYSS SG     2.10             

 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    VAL   1          1H        VAL   1   8.557   9.352   0.281
    2   2H    VAL   1          2H        VAL   1   8.537   8.968  -1.306
    3   3H    VAL   1          3H        VAL   1   9.514  10.194  -0.781
    4    HA   VAL   1           HA       VAL   1  10.782   8.281  -1.290
    5    HB   VAL   1           HB       VAL   1  11.610   9.679   0.456
    6   1HG1  VAL   1          1HG1      VAL   1  10.380   7.853   2.558
    7   2HG1  VAL   1          2HG1      VAL   1  11.381   9.279   2.802
    8   3HG1  VAL   1          3HG1      VAL   1   9.757   9.473   2.144
    9   1HG2  VAL   1          1HG2      VAL   1  13.178   8.113   1.451
   10   2HG2  VAL   1          2HG2      VAL   1  12.113   6.744   1.091
   11   3HG2  VAL   1          3HG2      VAL   1  12.864   7.661  -0.233
   12    H    GLY   2           H        GLY   2   8.682   7.256   1.447
   13   1HA   GLY   2          1HA       GLY   2   9.357   4.479   0.919
   14   2HA   GLY   2          2HA       GLY   2   8.327   5.097   2.201
   15    H    GLU   3           H        GLU   3   7.052   6.326  -0.656
   16    HA   GLU   3           HA       GLU   3   4.790   4.709  -0.737
   17   1HB   GLU   3          1HB       GLU   3   4.477   5.668  -2.974
   18   2HB   GLU   3          2HB       GLU   3   4.662   6.744  -1.760
   19   1HG   GLU   3          1HG       GLU   3   6.700   6.187  -3.697
   20   2HG   GLU   3          2HG       GLU   3   5.659   7.441  -3.814
   21    H    CYS   4           H        CYS   4   3.965   3.272  -2.207
   22    HA   CYS   4           HA       CYS   4   5.047   0.795  -2.240
   23   1HB   CYS   4          1HB       CYS   4   3.175   2.044  -4.158
   24   2HB   CYS   4          2HB       CYS   4   3.384   0.429  -4.034
   25    H    VAL   5           H        VAL   5   6.420  -0.427  -3.429
   26    HA   VAL   5           HA       VAL   5   8.793   0.034  -3.877
   27    HB   VAL   5           HB       VAL   5   7.389  -1.275  -6.229
   28   1HG1  VAL   5          1HG1      VAL   5  10.331  -1.343  -5.391
   29   2HG1  VAL   5          2HG1      VAL   5   9.594  -2.401  -6.613
   30   3HG1  VAL   5          3HG1      VAL   5   9.712  -0.668  -6.903
   31   1HG2  VAL   5          1HG2      VAL   5   8.766  -2.447  -3.770
   32   2HG2  VAL   5          2HG2      VAL   5   7.018  -2.381  -4.028
   33   3HG2  VAL   5          3HG2      VAL   5   8.017  -3.365  -5.097
   34    H    ARG   6           H        ARG   6   7.698   0.486  -7.156
   35    HA   ARG   6           HA       ARG   6   7.475   3.365  -6.843
   36   1HB   ARG   6          1HB       ARG   6   9.033   2.219  -9.078
   37   2HB   ARG   6          2HB       ARG   6   8.374   3.713  -9.123
   38   1HG   ARG   6          1HG       ARG   6  10.415   2.924  -7.258
   39   2HG   ARG   6          2HG       ARG   6  10.712   3.751  -8.635
   40   1HD   ARG   6          1HD       ARG   6  10.726   5.426  -7.138
   41   2HD   ARG   6          2HD       ARG   6   9.164   5.472  -7.613
   42    HE   ARG   6           HE       ARG   6   9.283   3.735  -5.492
   43   1HH1  ARG   6          1HH1      ARG   6   9.811   7.208  -5.683
   44   2HH1  ARG   6          2HH1      ARG   6   9.539   7.369  -3.980
   45   1HH2  ARG   6          1HH2      ARG   6   8.900   4.043  -3.428
   46   2HH2  ARG   6          2HH2      ARG   6   9.037   5.625  -2.736
   47    H    GLY   7           H        GLY   7   5.738   1.260  -6.665
   48   1HA   GLY   7          1HA       GLY   7   3.523   2.220  -7.795
   49   2HA   GLY   7          2HA       GLY   7   3.982   1.086  -9.055
   50    H    ARG   8           H        ARG   8   4.967  -0.801  -6.613
   51    HA   ARG   8           HA       ARG   8   2.276  -1.818  -5.923
   52   1HB   ARG   8          1HB       ARG   8   3.180  -3.981  -6.504
   53   2HB   ARG   8          2HB       ARG   8   3.176  -2.983  -7.797
   54   1HG   ARG   8          1HG       ARG   8   5.447  -2.870  -7.862
   55   2HG   ARG   8          2HG       ARG   8   5.601  -3.384  -6.320
   56   1HD   ARG   8          1HD       ARG   8   4.659  -5.118  -8.425
   57   2HD   ARG   8          2HD       ARG   8   6.233  -5.048  -7.997
   58    HE   ARG   8           HE       ARG   8   4.833  -5.536  -5.669
   59   1HH1  ARG   8          1HH1      ARG   8   5.556  -7.447  -8.550
   60   2HH1  ARG   8          2HH1      ARG   8   5.364  -8.920  -7.660
   61   1HH2  ARG   8          1HH2      ARG   8   4.602  -7.352  -4.670
   62   2HH2  ARG   8          2HH2      ARG   8   4.828  -8.867  -5.478
   63    H    CYS   9           H        CYS   9   2.506  -3.748  -4.351
   64    HA   CYS   9           HA       CYS   9   4.330  -3.034  -2.103
   65   1HB   CYS   9          1HB       CYS   9   1.748  -4.361  -2.377
   66   2HB   CYS   9          2HB       CYS   9   2.720  -4.859  -1.163
   67    HA   PRO  10           HA       PRO  10   6.517  -7.079  -2.447
   68   1HB   PRO  10          1HB       PRO  10   5.675  -7.451   0.339
   69   2HB   PRO  10          2HB       PRO  10   7.157  -7.645  -0.318
   70   1HG   PRO  10          1HG       PRO  10   6.680  -5.525   1.103
   71   2HG   PRO  10          2HG       PRO  10   7.620  -5.390  -0.226
   72   1HD   PRO  10          1HD       PRO  10   4.825  -4.728   0.019
   73   2HD   PRO  10          2HD       PRO  10   5.976  -3.890  -0.782
   74    H    SER  11           H        SER  11   5.856  -9.247  -2.650
   75    HA   SER  11           HA       SER  11   3.140  -9.626  -3.460
   76   1HB   SER  11          1HB       SER  11   5.345 -11.568  -3.187
   77   2HB   SER  11          2HB       SER  11   3.927 -11.867  -3.942
   78    HG   SER  11           HG       SER  11   5.561 -11.311  -5.376
   79    H    GLY  12           H        GLY  12   2.064  -9.112  -1.535
   80   1HA   GLY  12          1HA       GLY  12   0.677 -10.991  -0.102
   81   2HA   GLY  12          2HA       GLY  12   2.181 -10.882   0.811
   82    H    MET  13           H        MET  13   2.148  -7.772  -0.095
   83    HA   MET  13           HA       MET  13   0.281  -6.863   2.054
   84   1HB   MET  13          1HB       MET  13   2.764  -5.748   0.919
   85   2HB   MET  13          2HB       MET  13   1.783  -4.905   1.916
   86   1HG   MET  13          1HG       MET  13   2.154  -6.489   3.634
   87   2HG   MET  13          2HG       MET  13   3.116  -7.354   2.637
   88   1HE   MET  13          1HE       MET  13   5.033  -7.487   4.466
   89   2HE   MET  13          2HE       MET  13   5.663  -6.034   5.276
   90   3HE   MET  13          3HE       MET  13   3.984  -6.550   5.559
   91    H    CYS  14           H        CYS  14  -0.388  -4.476   1.605
   92    HA   CYS  14           HA       CYS  14  -1.688  -4.326  -1.086
   93   1HB   CYS  14          1HB       CYS  14  -2.786  -3.670   1.570
   94   2HB   CYS  14          2HB       CYS  14  -3.573  -3.529   0.146
   95    H    CYS  15           H        CYS  15  -1.517  -2.403  -2.111
   96    HA   CYS  15           HA       CYS  15  -0.075  -0.180  -0.840
   97   1HB   CYS  15          1HB       CYS  15   0.324  -0.950  -3.154
   98   2HB   CYS  15          2HB       CYS  15  -1.131  -0.346  -3.588
   99    H    SER  16           H        SER  16  -1.129   1.310   0.295
  100    HA   SER  16           HA       SER  16  -4.008   1.631   0.306
  101   1HB   SER  16          1HB       SER  16  -3.506   3.459   1.790
  102   2HB   SER  16          2HB       SER  16  -2.614   2.160   2.219
  103    HG   SER  16           HG       SER  16  -1.380   4.066   2.315
  104    H    GLN  17           H        GLN  17  -5.114   3.711  -0.010
  105    HA   GLN  17           HA       GLN  17  -4.486   5.005  -2.540
  106   1HB   GLN  17          1HB       GLN  17  -6.436   6.217  -2.191
  107   2HB   GLN  17          2HB       GLN  17  -6.754   4.670  -1.774
  108   1HG   GLN  17          1HG       GLN  17  -6.326   6.734   0.178
  109   2HG   GLN  17          2HG       GLN  17  -7.812   6.325  -0.360
  110   1HE2  GLN  17          1HE2      GLN  17  -8.880   4.387   0.406
  111   2HE2  GLN  17          2HE2      GLN  17  -8.089   3.465   1.679
  112    H    TRP  18           H        TRP  18  -3.085   5.429   0.529
  113    HA   TRP  18           HA       TRP  18  -2.342   8.246   0.118
  114   1HB   TRP  18          1HB       TRP  18  -1.227   6.160   1.873
  115   2HB   TRP  18          2HB       TRP  18  -0.859   7.750   1.918
  116    HD1  TRP  18           HD1      TRP  18  -1.410   6.540   4.506
  117    HE1  TRP  18           HE1      TRP  18  -3.376   7.320   5.966
  118    HE3  TRP  18           HE3      TRP  18  -4.464   8.523   0.859
  119    HZ2  TRP  18           HZ2      TRP  18  -5.995   8.426   5.593
  120    HZ3  TRP  18           HZ3      TRP  18  -6.680   9.407   1.462
  121    HH2  TRP  18           HH2      TRP  18  -7.467   9.362   3.813
  122    H    GLY  19           H        GLY  19  -1.538   5.270  -1.404
  123   1HA   GLY  19          1HA       GLY  19   0.092   4.828  -2.974
  124   2HA   GLY  19          2HA       GLY  19   0.922   6.339  -2.594
  125    H    TYR  20           H        TYR  20   0.277   4.669   0.272
  126    HA   TYR  20           HA       TYR  20   3.067   3.580   0.384
  127   1HB   TYR  20          1HB       TYR  20   1.424   4.987   2.353
  128   2HB   TYR  20          2HB       TYR  20   2.566   3.942   2.872
  129    HD1  TYR  20           HD1      TYR  20   2.252   6.783   0.500
  130    HD2  TYR  20           HD2      TYR  20   4.706   4.756   3.421
  131    HE1  TYR  20           HE1      TYR  20   4.087   8.383   0.075
  132    HE2  TYR  20           HE2      TYR  20   6.506   6.427   3.047
  133    HH   TYR  20           HH       TYR  20   7.260   8.088   1.763
  134    H    CYS  21           H        CYS  21   3.468   1.651   1.467
  135    HA   CYS  21           HA       CYS  21   1.392  -0.331   0.880
  136   1HB   CYS  21          1HB       CYS  21   3.709  -0.402   0.074
  137   2HB   CYS  21          2HB       CYS  21   4.244  -0.640   1.598
  138    H    GLY  22           H        GLY  22   0.657  -1.980   2.280
  139   1HA   GLY  22          1HA       GLY  22   1.672  -2.610   4.853
  140   2HA   GLY  22          2HA       GLY  22   0.406  -1.396   5.058
  141    H    LYS  23           H        LYS  23  -0.804  -3.027   6.250
  142    HA   LYS  23           HA       LYS  23  -2.498  -4.682   4.546
  143   1HB   LYS  23          1HB       LYS  23  -0.548  -5.838   5.953
  144   2HB   LYS  23          2HB       LYS  23  -1.660  -5.768   7.147
  145   1HG   LYS  23          1HG       LYS  23  -1.933  -7.839   6.170
  146   2HG   LYS  23          2HG       LYS  23  -3.188  -6.940   5.637
  147   1HD   LYS  23          1HD       LYS  23  -1.844  -6.471   3.628
  148   2HD   LYS  23          2HD       LYS  23  -0.819  -7.635   4.141
  149   1HE   LYS  23          1HE       LYS  23  -2.521  -9.254   4.045
  150   2HE   LYS  23          2HE       LYS  23  -3.642  -8.111   3.723
  151   1HZ   LYS  23          1HZ       LYS  23  -2.647  -7.727   1.618
  152   2HZ   LYS  23          2HZ       LYS  23  -1.509  -8.877   1.963
  153   3HZ   LYS  23          3HZ       LYS  23  -3.085  -9.309   1.766
  154    H    GLY  24           H        GLY  24  -4.531  -5.303   5.581
  155   1HA   GLY  24          1HA       GLY  24  -6.358  -4.988   6.991
  156   2HA   GLY  24          2HA       GLY  24  -5.462  -3.770   7.912
  157    HA   PRO  25           HA       PRO  25  -8.660  -2.202   4.891
  158   1HB   PRO  25          1HB       PRO  25 -10.257  -0.807   6.557
  159   2HB   PRO  25          2HB       PRO  25 -10.419  -2.412   6.305
  160   1HG   PRO  25          1HG       PRO  25  -9.087  -1.120   8.524
  161   2HG   PRO  25          2HG       PRO  25 -10.099  -2.400   8.591
  162   1HD   PRO  25          1HD       PRO  25  -7.528  -2.797   8.640
  163   2HD   PRO  25          2HD       PRO  25  -8.493  -3.861   7.862
  164    H    LYS  26           H        LYS  26  -6.209  -0.620   6.390
  165    HA   LYS  26           HA       LYS  26  -6.882   2.093   5.341
  166   1HB   LYS  26          1HB       LYS  26  -5.952   1.996   7.546
  167   2HB   LYS  26          2HB       LYS  26  -4.659   1.138   7.037
  168   1HG   LYS  26          1HG       LYS  26  -3.917   3.250   7.469
  169   2HG   LYS  26          2HG       LYS  26  -3.917   3.079   5.845
  170   1HD   LYS  26          1HD       LYS  26  -6.048   4.437   7.185
  171   2HD   LYS  26          2HD       LYS  26  -4.691   5.230   6.741
  172   1HE   LYS  26          1HE       LYS  26  -6.608   4.061   4.945
  173   2HE   LYS  26          2HE       LYS  26  -6.363   5.659   5.173
  174   1HZ   LYS  26          1HZ       LYS  26  -4.512   3.829   3.981
  175   2HZ   LYS  26          2HZ       LYS  26  -5.369   4.924   3.154
  176   3HZ   LYS  26          3HZ       LYS  26  -4.197   5.461   4.200
  177    H    TYR  27           H        TYR  27  -5.641  -0.820   4.390
  178    HA   TYR  27           HA       TYR  27  -3.793   0.258   2.309
  179   1HB   TYR  27          1HB       TYR  27  -3.480  -1.879   4.322
  180   2HB   TYR  27          2HB       TYR  27  -2.500  -1.755   3.022
  181    HD1  TYR  27           HD1      TYR  27  -1.096   0.326   2.659
  182    HD2  TYR  27           HD2      TYR  27  -3.093  -0.662   6.346
  183    HE1  TYR  27           HE1      TYR  27   0.331   1.965   3.871
  184    HE2  TYR  27           HE2      TYR  27  -1.659   0.978   7.560
  185    HH   TYR  27           HH       TYR  27   0.970   2.729   5.948
  186    H    CYS  28           H        CYS  28  -5.546  -2.722   3.353
  187    HA   CYS  28           HA       CYS  28  -5.801  -3.669   0.571
  188   1HB   CYS  28          1HB       CYS  28  -6.687  -4.779   3.160
  189   2HB   CYS  28          2HB       CYS  28  -6.688  -5.569   1.731
  190    H    GLY  29           H        GLY  29  -7.623  -1.605   2.572
  191   1HA   GLY  29          1HA       GLY  29  -9.805  -0.822   2.485
  192   2HA   GLY  29          2HA       GLY  29 -10.088  -1.802   1.048
  193    H    ARG  30           H        ARG  30  -8.953  -3.976   3.270
  194    HA   ARG  30           HA       ARG  30 -11.328  -4.423   4.896
  195   1HB   ARG  30          1HB       ARG  30 -11.721  -5.681   2.847
  196   2HB   ARG  30          2HB       ARG  30 -10.282  -6.439   2.984
  197   1HG   ARG  30          1HG       ARG  30 -12.097  -6.740   5.150
  198   2HG   ARG  30          2HG       ARG  30 -12.440  -7.562   3.781
  199   1HD   ARG  30          1HD       ARG  30 -10.479  -8.790   3.931
  200   2HD   ARG  30          2HD       ARG  30  -9.900  -7.827   5.117
  201    HE   ARG  30           HE       ARG  30 -11.687 -10.014   5.409
  202   1HH1  ARG  30          1HH1      ARG  30 -10.474  -7.141   7.102
  203   2HH1  ARG  30          2HH1      ARG  30 -10.950  -7.774   8.642
  204   1HH2  ARG  30          1HH2      ARG  30 -12.238 -10.710   7.436
  205   2HH2  ARG  30          2HH2      ARG  30 -11.915  -9.728   8.825
  Start of MODEL    2
    1   1H    VAL   1          1H        VAL   1   9.961   5.842   2.455
    2   2H    VAL   1          2H        VAL   1  11.456   6.057   3.114
    3   3H    VAL   1          3H        VAL   1  10.131   5.809   4.089
    4    HA   VAL   1           HA       VAL   1  11.096   3.858   2.141
    5    HB   VAL   1           HB       VAL   1  12.802   4.175   3.846
    6   1HG1  VAL   1          1HG1      VAL   1  10.754   3.313   5.932
    7   2HG1  VAL   1          2HG1      VAL   1  12.483   3.583   6.188
    8   3HG1  VAL   1          3HG1      VAL   1  11.440   4.945   5.774
    9   1HG2  VAL   1          1HG2      VAL   1  11.361   1.518   4.215
   10   2HG2  VAL   1          2HG2      VAL   1  12.420   1.941   2.847
   11   3HG2  VAL   1          3HG2      VAL   1  13.079   1.853   4.486
   12    H    GLY   2           H        GLY   2   9.735   2.193   1.796
   13   1HA   GLY   2          1HA       GLY   2   7.941   0.688   2.378
   14   2HA   GLY   2          2HA       GLY   2   7.309   1.873   3.516
   15    H    GLU   3           H        GLU   3   8.216   3.566   0.731
   16    HA   GLU   3           HA       GLU   3   5.616   4.199  -0.179
   17   1HB   GLU   3          1HB       GLU   3   8.243   4.335  -1.541
   18   2HB   GLU   3          2HB       GLU   3   6.881   5.039  -2.105
   19   1HG   GLU   3          1HG       GLU   3   8.083   6.719  -1.135
   20   2HG   GLU   3          2HG       GLU   3   6.864   6.397  -0.097
   21    H    CYS   4           H        CYS   4   4.415   3.528  -1.999
   22    HA   CYS   4           HA       CYS   4   4.590   0.780  -2.753
   23   1HB   CYS   4          1HB       CYS   4   3.190   2.921  -4.203
   24   2HB   CYS   4          2HB       CYS   4   2.896   1.318  -4.310
   25    H    VAL   5           H        VAL   5   5.463  -0.296  -4.401
   26    HA   VAL   5           HA       VAL   5   7.911   0.831  -5.407
   27    HB   VAL   5           HB       VAL   5   6.732  -1.948  -5.833
   28   1HG1  VAL   5          1HG1      VAL   5   9.562  -0.836  -6.014
   29   2HG1  VAL   5          2HG1      VAL   5   9.119  -2.563  -6.126
   30   3HG1  VAL   5          3HG1      VAL   5   8.567  -1.425  -7.363
   31   1HG2  VAL   5          1HG2      VAL   5   8.176  -2.541  -3.883
   32   2HG2  VAL   5          2HG2      VAL   5   8.485  -0.798  -3.633
   33   3HG2  VAL   5          3HG2      VAL   5   6.846  -1.451  -3.466
   34    H    ARG   6           H        ARG   6   6.760   2.397  -6.632
   35    HA   ARG   6           HA       ARG   6   5.644   3.376  -8.389
   36   1HB   ARG   6          1HB       ARG   6   6.721   1.226 -10.105
   37   2HB   ARG   6          2HB       ARG   6   6.080   2.640 -10.614
   38   1HG   ARG   6          1HG       ARG   6   8.549   2.413  -9.142
   39   2HG   ARG   6          2HG       ARG   6   8.456   2.671 -10.752
   40   1HD   ARG   6          1HD       ARG   6   7.416   4.784 -10.336
   41   2HD   ARG   6          2HD       ARG   6   7.566   4.528  -8.730
   42    HE   ARG   6           HE       ARG   6   9.710   5.116 -10.576
   43   1HH1  ARG   6          1HH1      ARG   6   8.828   4.718  -7.179
   44   2HH1  ARG   6          2HH1      ARG   6  10.334   5.379  -6.637
   45   1HH2  ARG   6          1HH2      ARG   6  11.610   5.942  -9.778
   46   2HH2  ARG   6          2HH2      ARG   6  11.866   6.052  -8.069
   47    H    GLY   7           H        GLY   7   4.584   1.134  -6.706
   48   1HA   GLY   7          1HA       GLY   7   2.091   1.693  -6.536
   49   2HA   GLY   7          2HA       GLY   7   1.924   1.052  -8.160
   50    H    ARG   8           H        ARG   8   4.033  -1.099  -7.048
   51    HA   ARG   8           HA       ARG   8   2.012  -2.934  -5.885
   52   1HB   ARG   8          1HB       ARG   8   3.464  -4.635  -6.780
   53   2HB   ARG   8          2HB       ARG   8   2.937  -3.644  -7.966
   54   1HG   ARG   8          1HG       ARG   8   5.218  -2.551  -7.570
   55   2HG   ARG   8          2HG       ARG   8   5.591  -4.055  -7.055
   56   1HD   ARG   8          1HD       ARG   8   6.184  -3.644  -9.358
   57   2HD   ARG   8          2HD       ARG   8   5.226  -4.950  -9.151
   58    HE   ARG   8           HE       ARG   8   3.759  -4.096 -10.580
   59   1HH1  ARG   8          1HH1      ARG   8   5.401  -1.240  -9.252
   60   2HH1  ARG   8          2HH1      ARG   8   4.404  -0.182 -10.194
   61   1HH2  ARG   8          1HH2      ARG   8   2.541  -2.625 -11.665
   62   2HH2  ARG   8          2HH2      ARG   8   2.858  -0.930 -11.498
   63    H    CYS   9           H        CYS   9   3.163  -4.661  -4.447
   64    HA   CYS   9           HA       CYS   9   4.948  -3.300  -2.507
   65   1HB   CYS   9          1HB       CYS   9   2.155  -4.161  -2.094
   66   2HB   CYS   9          2HB       CYS   9   3.178  -3.934  -0.841
   67    HA   PRO  10           HA       PRO  10   6.448  -7.449  -1.870
   68   1HB   PRO  10          1HB       PRO  10   7.623  -7.212   0.498
   69   2HB   PRO  10          2HB       PRO  10   8.206  -6.380  -0.780
   70   1HG   PRO  10          1HG       PRO  10   6.483  -5.363   1.321
   71   2HG   PRO  10          2HG       PRO  10   7.822  -4.647   0.719
   72   1HD   PRO  10          1HD       PRO  10   5.445  -3.968  -0.155
   73   2HD   PRO  10          2HD       PRO  10   6.742  -3.917  -1.147
   74    H    SER  11           H        SER  11   6.445  -9.263  -0.148
   75    HA   SER  11           HA       SER  11   5.122 -10.880   0.809
   76   1HB   SER  11          1HB       SER  11   5.097  -8.693   2.802
   77   2HB   SER  11          2HB       SER  11   4.894 -10.277   3.144
   78    HG   SER  11           HG       SER  11   7.034  -9.676   3.480
   79    H    GLY  12           H        GLY  12   3.501  -9.849  -0.968
   80   1HA   GLY  12          1HA       GLY  12   1.304  -9.563  -1.676
   81   2HA   GLY  12          2HA       GLY  12   0.868 -10.621  -0.332
   82    H    MET  13           H        MET  13   2.379  -7.441   0.233
   83    HA   MET  13           HA       MET  13   0.103  -6.417   1.738
   84   1HB   MET  13          1HB       MET  13   2.681  -5.277   0.845
   85   2HB   MET  13          2HB       MET  13   1.585  -4.421   1.700
   86   1HG   MET  13          1HG       MET  13   1.810  -5.922   3.510
   87   2HG   MET  13          2HG       MET  13   2.887  -6.803   2.653
   88   1HE   MET  13          1HE       MET  13   3.432  -5.849   5.611
   89   2HE   MET  13          2HE       MET  13   4.603  -6.810   4.674
   90   3HE   MET  13          3HE       MET  13   5.120  -5.308   5.475
   91    H    CYS  14           H        CYS  14  -0.622  -4.186   1.223
   92    HA   CYS  14           HA       CYS  14  -1.241  -3.814  -1.667
   93   1HB   CYS  14          1HB       CYS  14  -3.333  -2.821  -0.370
   94   2HB   CYS  14          2HB       CYS  14  -3.275  -4.305  -1.049
   95    H    CYS  15           H        CYS  15  -1.102  -1.845  -2.478
   96    HA   CYS  15           HA       CYS  15   0.269   0.275  -1.087
   97   1HB   CYS  15          1HB       CYS  15   0.411  -0.150  -3.482
   98   2HB   CYS  15          2HB       CYS  15  -1.151   0.281  -3.686
   99    H    SER  16           H        SER  16  -0.638   1.612   0.348
  100    HA   SER  16           HA       SER  16  -3.501   2.101   0.616
  101   1HB   SER  16          1HB       SER  16  -2.770   3.721   2.259
  102   2HB   SER  16          2HB       SER  16  -2.057   2.275   2.524
  103    HG   SER  16           HG       SER  16  -0.570   3.980   2.787
  104    H    GLN  17           H        GLN  17  -4.500   4.158   0.521
  105    HA   GLN  17           HA       GLN  17  -4.043   5.866  -1.709
  106   1HB   GLN  17          1HB       GLN  17  -5.710   7.200  -0.715
  107   2HB   GLN  17          2HB       GLN  17  -6.146   5.635  -0.548
  108   1HG   GLN  17          1HG       GLN  17  -5.159   7.295   1.589
  109   2HG   GLN  17          2HG       GLN  17  -6.725   6.880   1.380
  110   1HE2  GLN  17          1HE2      GLN  17  -6.891   4.153   1.064
  111   2HE2  GLN  17          2HE2      GLN  17  -5.953   3.415   2.397
  112    H    TRP  18           H        TRP  18  -2.281   5.778   1.304
  113    HA   TRP  18           HA       TRP  18  -1.325   8.528   1.156
  114   1HB   TRP  18          1HB       TRP  18  -0.146   6.230   2.569
  115   2HB   TRP  18          2HB       TRP  18   0.036   7.816   2.916
  116    HD1  TRP  18           HD1      TRP  18  -1.036   5.207   4.666
  117    HE1  TRP  18           HE1      TRP  18  -3.098   5.602   6.154
  118    HE3  TRP  18           HE3      TRP  18  -2.846   9.491   2.482
  119    HZ2  TRP  18           HZ2      TRP  18  -5.236   7.500   6.371
  120    HZ3  TRP  18           HZ3      TRP  18  -4.911  10.546   3.340
  121    HH2  TRP  18           HH2      TRP  18  -6.116   9.569   5.278
  122    H    GLY  19           H        GLY  19  -0.691   5.704  -0.685
  123   1HA   GLY  19          1HA       GLY  19   0.944   5.390  -2.342
  124   2HA   GLY  19          2HA       GLY  19   1.827   6.808  -1.774
  125    H    TYR  20           H        TYR  20   0.932   4.543   0.675
  126    HA   TYR  20           HA       TYR  20   3.692   3.376   0.770
  127   1HB   TYR  20          1HB       TYR  20   1.968   4.442   2.894
  128   2HB   TYR  20          2HB       TYR  20   3.111   3.329   3.242
  129    HD1  TYR  20           HD1      TYR  20   2.585   6.723   1.958
  130    HD2  TYR  20           HD2      TYR  20   5.440   3.828   3.403
  131    HE1  TYR  20           HE1      TYR  20   4.381   8.449   1.884
  132    HE2  TYR  20           HE2      TYR  20   7.221   5.556   3.323
  133    HH   TYR  20           HH       TYR  20   7.785   7.606   2.761
  134    H    CYS  21           H        CYS  21   3.957   1.258   1.286
  135    HA   CYS  21           HA       CYS  21   1.731  -0.562   0.752
  136   1HB   CYS  21          1HB       CYS  21   4.577  -0.955   1.451
  137   2HB   CYS  21          2HB       CYS  21   3.555  -2.185   1.118
  138    H    GLY  22           H        GLY  22   0.842  -2.117   2.140
  139   1HA   GLY  22          1HA       GLY  22   1.789  -2.896   4.664
  140   2HA   GLY  22          2HA       GLY  22   0.616  -1.594   4.921
  141    H    LYS  23           H        LYS  23  -0.470  -3.529   6.030
  142    HA   LYS  23           HA       LYS  23  -1.977  -5.249   4.122
  143   1HB   LYS  23          1HB       LYS  23  -0.220  -5.967   5.987
  144   2HB   LYS  23          2HB       LYS  23  -1.565  -5.977   6.913
  145   1HG   LYS  23          1HG       LYS  23  -1.380  -8.126   6.184
  146   2HG   LYS  23          2HG       LYS  23  -2.534  -7.483   5.223
  147   1HD   LYS  23          1HD       LYS  23  -1.111  -7.368   3.418
  148   2HD   LYS  23          2HD       LYS  23   0.212  -7.564   4.355
  149   1HE   LYS  23          1HE       LYS  23  -0.429  -9.805   4.821
  150   2HE   LYS  23          2HE       LYS  23  -1.785  -9.613   3.930
  151   1HZ   LYS  23          1HZ       LYS  23   0.908  -9.632   2.849
  152   2HZ   LYS  23          2HZ       LYS  23  -0.210 -10.815   2.688
  153   3HZ   LYS  23          3HZ       LYS  23  -0.460  -9.356   1.977
  154    H    GLY  24           H        GLY  24  -4.182  -5.518   4.402
  155   1HA   GLY  24          1HA       GLY  24  -6.092  -5.715   5.767
  156   2HA   GLY  24          2HA       GLY  24  -5.420  -4.551   6.899
  157    HA   PRO  25           HA       PRO  25  -9.040  -3.179   4.343
  158   1HB   PRO  25          1HB       PRO  25 -10.638  -2.331   6.299
  159   2HB   PRO  25          2HB       PRO  25 -10.434  -3.920   5.982
  160   1HG   PRO  25          1HG       PRO  25  -9.106  -2.375   8.047
  161   2HG   PRO  25          2HG       PRO  25  -9.821  -3.833   8.222
  162   1HD   PRO  25          1HD       PRO  25  -7.256  -3.723   7.861
  163   2HD   PRO  25          2HD       PRO  25  -8.108  -4.934   7.172
  164    H    LYS  26           H        LYS  26  -6.689  -1.289   5.405
  165    HA   LYS  26           HA       LYS  26  -8.040   1.036   4.171
  166   1HB   LYS  26          1HB       LYS  26  -7.707   1.395   6.611
  167   2HB   LYS  26          2HB       LYS  26  -6.101   1.492   6.327
  168   1HG   LYS  26          1HG       LYS  26  -6.721   3.654   6.381
  169   2HG   LYS  26          2HG       LYS  26  -6.668   3.336   4.780
  170   1HD   LYS  26          1HD       LYS  26  -9.080   3.467   6.328
  171   2HD   LYS  26          2HD       LYS  26  -8.532   4.676   5.376
  172   1HE   LYS  26          1HE       LYS  26  -9.666   2.196   4.488
  173   2HE   LYS  26          2HE       LYS  26 -10.307   3.685   4.292
  174   1HZ   LYS  26          1HZ       LYS  26  -9.460   3.442   2.231
  175   2HZ   LYS  26          2HZ       LYS  26  -8.090   4.003   2.968
  176   3HZ   LYS  26          3HZ       LYS  26  -8.363   2.390   2.718
  177    H    TYR  27           H        TYR  27  -5.460  -1.111   4.088
  178    HA   TYR  27           HA       TYR  27  -3.856   0.472   2.189
  179   1HB   TYR  27          1HB       TYR  27  -3.600  -2.155   3.513
  180   2HB   TYR  27          2HB       TYR  27  -2.617  -1.701   2.290
  181    HD1  TYR  27           HD1      TYR  27  -0.958   0.110   2.509
  182    HD2  TYR  27           HD2      TYR  27  -3.407  -1.245   5.790
  183    HE1  TYR  27           HE1      TYR  27   0.437   1.430   4.104
  184    HE2  TYR  27           HE2      TYR  27  -2.005   0.039   7.374
  185    HH   TYR  27           HH       TYR  27  -0.191   1.450   7.611
  186    H    CYS  28           H        CYS  28  -5.547  -2.659   2.422
  187    HA   CYS  28           HA       CYS  28  -5.893  -3.007  -0.464
  188   1HB   CYS  28          1HB       CYS  28  -6.695  -4.456   1.972
  189   2HB   CYS  28          2HB       CYS  28  -7.243  -4.908   0.502
  190    H    GLY  29           H        GLY  29  -7.986  -2.268   2.345
  191   1HA   GLY  29          1HA       GLY  29 -10.395  -1.697   0.781
  192   2HA   GLY  29          2HA       GLY  29 -10.100  -1.259   2.470
  193    H    ARG  30           H        ARG  30 -10.356  -0.075  -0.641
  194    HA   ARG  30           HA       ARG  30  -8.176   1.310  -1.146
  195   1HB   ARG  30          1HB       ARG  30  -9.923   1.019  -2.728
  196   2HB   ARG  30          2HB       ARG  30 -10.840   2.176  -2.028
  197   1HG   ARG  30          1HG       ARG  30  -9.864   3.008  -3.994
  198   2HG   ARG  30          2HG       ARG  30  -9.298   3.828  -2.700
  199   1HD   ARG  30          1HD       ARG  30  -7.760   1.750  -3.970
  200   2HD   ARG  30          2HD       ARG  30  -7.621   3.320  -4.399
  201    HE   ARG  30           HE       ARG  30  -7.260   3.411  -1.748
  202   1HH1  ARG  30          1HH1      ARG  30  -5.361   1.471  -4.003
  203   2HH1  ARG  30          2HH1      ARG  30  -4.452   0.819  -2.681
  204   1HH2  ARG  30          1HH2      ARG  30  -6.252   2.452  -0.242
  205   2HH2  ARG  30          2HH2      ARG  30  -4.950   1.362  -0.586
  Start of MODEL    3
    1   1H    VAL   1          1H        VAL   1  10.667   6.962   3.492
    2   2H    VAL   1          2H        VAL   1   9.090   6.553   3.751
    3   3H    VAL   1          3H        VAL   1   9.818   6.102   2.368
    4    HA   VAL   1           HA       VAL   1  11.400   4.752   3.610
    5    HB   VAL   1           HB       VAL   1  11.161   5.965   5.721
    6   1HG1  VAL   1          1HG1      VAL   1   8.555   4.436   6.138
    7   2HG1  VAL   1          2HG1      VAL   1   9.390   5.459   7.312
    8   3HG1  VAL   1          3HG1      VAL   1   8.693   6.192   5.870
    9   1HG2  VAL   1          1HG2      VAL   1  12.210   3.724   5.622
   10   2HG2  VAL   1          2HG2      VAL   1  11.450   4.059   7.186
   11   3HG2  VAL   1          3HG2      VAL   1  10.649   2.982   6.028
   12    H    GLY   2           H        GLY   2   7.830   4.799   3.607
   13   1HA   GLY   2          1HA       GLY   2   7.862   1.856   3.029
   14   2HA   GLY   2          2HA       GLY   2   6.618   2.679   3.960
   15    H    GLU   3           H        GLU   3   7.912   4.217   1.046
   16    HA   GLU   3           HA       GLU   3   5.357   4.589  -0.129
   17   1HB   GLU   3          1HB       GLU   3   8.069   4.722  -1.311
   18   2HB   GLU   3          2HB       GLU   3   6.718   5.267  -2.050
   19   1HG   GLU   3          1HG       GLU   3   7.827   7.107  -1.206
   20   2HG   GLU   3          2HG       GLU   3   6.484   6.898  -0.301
   21    H    CYS   4           H        CYS   4   4.291   3.604  -1.840
   22    HA   CYS   4           HA       CYS   4   4.881   0.876  -2.552
   23   1HB   CYS   4          1HB       CYS   4   3.212   2.785  -4.039
   24   2HB   CYS   4          2HB       CYS   4   3.204   1.160  -4.198
   25    H    VAL   5           H        VAL   5   6.054   0.032  -4.066
   26    HA   VAL   5           HA       VAL   5   8.352   1.451  -5.047
   27    HB   VAL   5           HB       VAL   5   7.515  -1.427  -5.584
   28   1HG1  VAL   5          1HG1      VAL   5   9.953  -1.793  -5.778
   29   2HG1  VAL   5          2HG1      VAL   5   9.371  -0.639  -6.987
   30   3HG1  VAL   5          3HG1      VAL   5  10.234  -0.050  -5.545
   31   1HG2  VAL   5          1HG2      VAL   5   7.419  -1.096  -3.234
   32   2HG2  VAL   5          2HG2      VAL   5   8.937  -1.938  -3.585
   33   3HG2  VAL   5          3HG2      VAL   5   8.944  -0.184  -3.227
   34    H    ARG   6           H        ARG   6   7.227   2.888  -6.334
   35    HA   ARG   6           HA       ARG   6   6.228   3.865  -8.121
   36   1HB   ARG   6          1HB       ARG   6   7.219   1.612  -9.753
   37   2HB   ARG   6          2HB       ARG   6   6.573   2.992 -10.342
   38   1HG   ARG   6          1HG       ARG   6   8.392   4.213  -9.312
   39   2HG   ARG   6          2HG       ARG   6   9.064   2.783  -8.898
   40   1HD   ARG   6          1HD       ARG   6   8.594   3.594 -11.626
   41   2HD   ARG   6          2HD       ARG   6  10.047   3.702 -10.888
   42    HE   ARG   6           HE       ARG   6   9.215   1.075 -10.698
   43   1HH1  ARG   6          1HH1      ARG   6  10.373   3.250 -13.212
   44   2HH1  ARG   6          2HH1      ARG   6  10.969   1.948 -14.185
   45   1HH2  ARG   6          1HH2      ARG   6  10.009  -0.550 -12.017
   46   2HH2  ARG   6          2HH2      ARG   6  10.767  -0.156 -13.523
   47    H    GLY   7           H        GLY   7   5.121   1.179  -6.720
   48   1HA   GLY   7          1HA       GLY   7   2.485   1.764  -6.694
   49   2HA   GLY   7          2HA       GLY   7   2.591   0.974  -8.266
   50    H    ARG   8           H        ARG   8   4.830  -0.920  -6.994
   51    HA   ARG   8           HA       ARG   8   2.819  -2.741  -5.812
   52   1HB   ARG   8          1HB       ARG   8   4.166  -4.440  -6.364
   53   2HB   ARG   8          2HB       ARG   8   4.418  -3.416  -7.611
   54   1HG   ARG   8          1HG       ARG   8   6.574  -3.125  -7.106
   55   2HG   ARG   8          2HG       ARG   8   6.349  -3.445  -5.520
   56   1HD   ARG   8          1HD       ARG   8   6.190  -5.504  -7.537
   57   2HD   ARG   8          2HD       ARG   8   7.574  -5.183  -6.731
   58    HE   ARG   8           HE       ARG   8   5.727  -5.633  -4.756
   59   1HH1  ARG   8          1HH1      ARG   8   7.158  -7.687  -7.245
   60   2HH1  ARG   8          2HH1      ARG   8   6.843  -9.109  -6.308
   61   1HH2  ARG   8          1HH2      ARG   8   5.355  -7.422  -3.685
   62   2HH2  ARG   8          2HH2      ARG   8   5.836  -8.961  -4.318
   63    H    CYS   9           H        CYS   9   3.661  -4.163  -4.025
   64    HA   CYS   9           HA       CYS   9   5.452  -2.884  -2.070
   65   1HB   CYS   9          1HB       CYS   9   2.572  -3.415  -1.706
   66   2HB   CYS   9          2HB       CYS   9   3.585  -3.353  -0.427
   67    HA   PRO  10           HA       PRO  10   6.781  -7.003  -1.208
   68   1HB   PRO  10          1HB       PRO  10   5.431  -7.191   1.400
   69   2HB   PRO  10          2HB       PRO  10   6.977  -7.556   1.017
   70   1HG   PRO  10          1HG       PRO  10   6.505  -5.293   2.177
   71   2HG   PRO  10          2HG       PRO  10   7.609  -5.330   0.974
   72   1HD   PRO  10          1HD       PRO  10   4.874  -4.438   0.817
   73   2HD   PRO  10          2HD       PRO  10   6.177  -3.774   0.089
   74    H    SER  11           H        SER  11   6.248  -9.251  -1.314
   75    HA   SER  11           HA       SER  11   3.796  -9.686  -2.739
   76   1HB   SER  11          1HB       SER  11   5.863 -11.597  -1.863
   77   2HB   SER  11          2HB       SER  11   4.646 -11.955  -2.892
   78    HG   SER  11           HG       SER  11   6.554 -11.422  -3.966
   79    H    GLY  12           H        GLY  12   2.053  -9.364  -1.524
   80   1HA   GLY  12          1HA       GLY  12   0.438 -10.923  -0.132
   81   2HA   GLY  12          2HA       GLY  12   1.674 -10.707   1.105
   82    H    MET  13           H        MET  13   1.911  -7.833  -0.265
   83    HA   MET  13           HA       MET  13   0.713  -6.194   1.559
   84   1HB   MET  13          1HB       MET  13   1.211  -4.526  -0.128
   85   2HB   MET  13          2HB       MET  13   2.425  -5.613  -0.011
   86   1HG   MET  13          1HG       MET  13   2.315  -5.573  -2.217
   87   2HG   MET  13          2HG       MET  13   1.137  -6.678  -1.974
   88   1HE   MET  13          1HE       MET  13  -0.150  -4.819  -5.127
   89   2HE   MET  13          2HE       MET  13   1.527  -5.246  -4.719
   90   3HE   MET  13          3HE       MET  13   0.215  -6.415  -4.435
   91    H    CYS  14           H        CYS  14  -0.628  -4.342   1.156
   92    HA   CYS  14           HA       CYS  14  -2.238  -4.263  -1.283
   93   1HB   CYS  14          1HB       CYS  14  -3.388  -3.699   1.369
   94   2HB   CYS  14          2HB       CYS  14  -4.012  -3.092  -0.013
   95    H    CYS  15           H        CYS  15  -1.063  -2.588  -2.254
   96    HA   CYS  15           HA       CYS  15   0.155  -0.368  -0.888
   97   1HB   CYS  15          1HB       CYS  15   0.761  -0.898  -3.118
   98   2HB   CYS  15          2HB       CYS  15  -0.756  -0.675  -3.681
   99    H    SER  16           H        SER  16  -0.839   1.186   0.202
  100    HA   SER  16           HA       SER  16  -3.707   1.615   0.174
  101   1HB   SER  16          1HB       SER  16  -3.140   3.466   1.658
  102   2HB   SER  16          2HB       SER  16  -2.415   2.084   2.139
  103    HG   SER  16           HG       SER  16  -0.988   3.852   2.297
  104    H    GLN  17           H        GLN  17  -4.857   3.540  -0.321
  105    HA   GLN  17           HA       GLN  17  -4.383   4.939  -2.714
  106   1HB   GLN  17          1HB       GLN  17  -6.478   4.848  -1.489
  107   2HB   GLN  17          2HB       GLN  17  -5.886   5.815  -0.314
  108   1HG   GLN  17          1HG       GLN  17  -5.866   6.914  -2.920
  109   2HG   GLN  17          2HG       GLN  17  -7.342   6.724  -2.248
  110   1HE2  GLN  17          1HE2      GLN  17  -4.349   8.510  -2.066
  111   2HE2  GLN  17          2HE2      GLN  17  -5.046   9.784  -1.038
  112    H    TRP  18           H        TRP  18  -2.925   5.466   0.427
  113    HA   TRP  18           HA       TRP  18  -2.069   8.219  -0.021
  114   1HB   TRP  18          1HB       TRP  18  -1.383   6.211   2.029
  115   2HB   TRP  18          2HB       TRP  18  -0.934   7.781   2.068
  116    HD1  TRP  18           HD1      TRP  18  -4.405   7.791   1.094
  117    HE1  TRP  18           HE1      TRP  18  -5.947   8.280   3.065
  118    HE3  TRP  18           HE3      TRP  18  -1.054   7.159   4.915
  119    HZ2  TRP  18           HZ2      TRP  18  -5.710   8.624   5.920
  120    HZ3  TRP  18           HZ3      TRP  18  -1.740   7.618   7.257
  121    HH2  TRP  18           HH2      TRP  18  -4.048   8.370   7.769
  122    H    GLY  19           H        GLY  19  -1.077   5.307  -1.360
  123   1HA   GLY  19          1HA       GLY  19   0.757   4.884  -2.724
  124   2HA   GLY  19          2HA       GLY  19   1.462   6.443  -2.278
  125    H    TYR  20           H        TYR  20   0.459   4.256   0.244
  126    HA   TYR  20           HA       TYR  20   3.303   3.567   0.866
  127   1HB   TYR  20          1HB       TYR  20   1.347   4.948   2.393
  128   2HB   TYR  20          2HB       TYR  20   1.855   3.622   3.199
  129    HD1  TYR  20           HD1      TYR  20   3.691   3.803   4.659
  130    HD2  TYR  20           HD2      TYR  20   3.279   6.381   1.217
  131    HE1  TYR  20           HE1      TYR  20   5.856   4.903   5.218
  132    HE2  TYR  20           HE2      TYR  20   5.449   7.454   1.766
  133    HH   TYR  20           HH       TYR  20   7.251   7.442   3.074
  134    H    CYS  21           H        CYS  21   3.796   1.651   1.768
  135    HA   CYS  21           HA       CYS  21   2.059  -0.595   1.108
  136   1HB   CYS  21          1HB       CYS  21   4.810  -0.416   2.183
  137   2HB   CYS  21          2HB       CYS  21   4.092  -1.811   1.731
  138    H    GLY  22           H        GLY  22   1.513  -2.313   2.379
  139   1HA   GLY  22          1HA       GLY  22   1.859  -3.006   4.986
  140   2HA   GLY  22          2HA       GLY  22   0.607  -1.758   5.056
  141    H    LYS  23           H        LYS  23  -0.865  -3.565   5.824
  142    HA   LYS  23           HA       LYS  23  -2.346  -4.638   3.684
  143   1HB   LYS  23          1HB       LYS  23  -0.561  -6.258   5.132
  144   2HB   LYS  23          2HB       LYS  23  -2.031  -6.606   5.755
  145   1HG   LYS  23          1HG       LYS  23  -1.236  -6.955   3.007
  146   2HG   LYS  23          2HG       LYS  23  -1.616  -8.146   4.058
  147   1HD   LYS  23          1HD       LYS  23  -3.837  -7.072   4.197
  148   2HD   LYS  23          2HD       LYS  23  -3.400  -6.254   2.853
  149   1HE   LYS  23          1HE       LYS  23  -3.754  -9.103   3.014
  150   2HE   LYS  23          2HE       LYS  23  -4.779  -8.066   2.279
  151   1HZ   LYS  23          1HZ       LYS  23  -2.111  -8.692   1.405
  152   2HZ   LYS  23          2HZ       LYS  23  -3.493  -9.133   0.640
  153   3HZ   LYS  23          3HZ       LYS  23  -3.009  -7.562   0.676
  154    H    GLY  24           H        GLY  24  -4.558  -5.144   4.534
  155   1HA   GLY  24          1HA       GLY  24  -6.108  -5.288   6.417
  156   2HA   GLY  24          2HA       GLY  24  -5.177  -4.042   7.248
  157    HA   PRO  25           HA       PRO  25  -8.855  -2.272   4.911
  158   1HB   PRO  25          1HB       PRO  25 -10.004  -0.952   6.942
  159   2HB   PRO  25          2HB       PRO  25 -10.300  -2.533   6.661
  160   1HG   PRO  25          1HG       PRO  25  -8.481  -1.419   8.618
  161   2HG   PRO  25          2HG       PRO  25  -9.534  -2.648   8.839
  162   1HD   PRO  25          1HD       PRO  25  -7.023  -3.164   8.347
  163   2HD   PRO  25          2HD       PRO  25  -8.185  -4.155   7.770
  164    H    LYS  26           H        LYS  26  -6.204  -0.880   6.594
  165    HA   LYS  26           HA       LYS  26  -6.727   1.914   5.819
  166   1HB   LYS  26          1HB       LYS  26  -5.607   1.348   7.897
  167   2HB   LYS  26          2HB       LYS  26  -4.387   0.619   7.093
  168   1HG   LYS  26          1HG       LYS  26  -3.659   2.695   7.868
  169   2HG   LYS  26          2HG       LYS  26  -3.706   2.724   6.236
  170   1HD   LYS  26          1HD       LYS  26  -6.079   3.695   6.890
  171   2HD   LYS  26          2HD       LYS  26  -5.109   4.327   8.042
  172   1HE   LYS  26          1HE       LYS  26  -5.139   5.893   6.360
  173   2HE   LYS  26          2HE       LYS  26  -3.689   5.153   6.224
  174   1HZ   LYS  26          1HZ       LYS  26  -4.570   3.786   4.468
  175   2HZ   LYS  26          2HZ       LYS  26  -6.000   4.497   4.619
  176   3HZ   LYS  26          3HZ       LYS  26  -4.744   5.402   4.074
  177    H    TYR  27           H        TYR  27  -5.853  -0.791   4.279
  178    HA   TYR  27           HA       TYR  27  -3.843   0.380   2.420
  179   1HB   TYR  27          1HB       TYR  27  -3.872  -1.983   4.164
  180   2HB   TYR  27          2HB       TYR  27  -2.948  -1.992   2.817
  181    HD1  TYR  27           HD1      TYR  27  -1.406   0.078   2.426
  182    HD2  TYR  27           HD2      TYR  27  -2.914  -1.268   6.237
  183    HE1  TYR  27           HE1      TYR  27   0.374   1.359   3.598
  184    HE2  TYR  27           HE2      TYR  27  -1.024  -0.102   7.384
  185    HH   TYR  27           HH       TYR  27   1.666   0.935   5.530
  186    H    CYS  28           H        CYS  28  -5.973  -2.509   2.845
  187    HA   CYS  28           HA       CYS  28  -6.425  -2.758  -0.037
  188   1HB   CYS  28          1HB       CYS  28  -7.791  -4.082   2.211
  189   2HB   CYS  28          2HB       CYS  28  -7.690  -4.599   0.664
  190    H    GLY  29           H        GLY  29  -7.639  -0.640   2.285
  191   1HA   GLY  29          1HA       GLY  29 -10.374  -0.487   1.061
  192   2HA   GLY  29          2HA       GLY  29 -10.072  -0.320   2.788
  193    H    ARG  30           H        ARG  30  -8.840   1.601   3.528
  194    HA   ARG  30           HA       ARG  30  -8.943   3.905   1.631
  195   1HB   ARG  30          1HB       ARG  30 -11.071   3.554   2.966
  196   2HB   ARG  30          2HB       ARG  30 -10.236   4.034   4.285
  197   1HG   ARG  30          1HG       ARG  30 -10.303   5.718   1.977
  198   2HG   ARG  30          2HG       ARG  30 -11.559   5.742   3.020
  199   1HD   ARG  30          1HD       ARG  30 -10.350   6.757   4.641
  200   2HD   ARG  30          2HD       ARG  30  -8.925   6.260   4.016
  201    HE   ARG  30           HE       ARG  30 -10.400   8.591   3.268
  202   1HH1  ARG  30          1HH1      ARG  30  -7.704   6.501   2.280
  203   2HH1  ARG  30          2HH1      ARG  30  -7.219   7.619   1.049
  204   1HH2  ARG  30          1HH2      ARG  30  -9.662   9.895   1.577
  205   2HH2  ARG  30          2HH2      ARG  30  -8.261   9.424   0.675
  Start of MODEL    4
    1   1H    VAL   1          1H        VAL   1  11.575   5.884   3.438
    2   2H    VAL   1          2H        VAL   1  10.184   5.760   4.338
    3   3H    VAL   1          3H        VAL   1  10.117   5.691   2.697
    4    HA   VAL   1           HA       VAL   1  11.191   3.638   2.594
    5    HB   VAL   1           HB       VAL   1  11.751   2.387   4.670
    6   1HG1  VAL   1          1HG1      VAL   1  13.458   3.503   3.260
    7   2HG1  VAL   1          2HG1      VAL   1  13.348   4.958   4.282
    8   3HG1  VAL   1          3HG1      VAL   1  13.928   3.429   4.964
    9   1HG2  VAL   1          1HG2      VAL   1  10.487   3.700   6.363
   10   2HG2  VAL   1          2HG2      VAL   1  12.202   3.579   6.762
   11   3HG2  VAL   1          3HG2      VAL   1  11.563   5.089   6.093
   12    H    GLY   2           H        GLY   2   9.815   1.967   2.285
   13   1HA   GLY   2          1HA       GLY   2   7.925   0.590   2.762
   14   2HA   GLY   2          2HA       GLY   2   7.303   1.799   3.881
   15    H    GLU   3           H        GLU   3   8.364   3.360   1.026
   16    HA   GLU   3           HA       GLU   3   5.799   4.062   0.032
   17   1HB   GLU   3          1HB       GLU   3   8.466   4.029  -1.258
   18   2HB   GLU   3          2HB       GLU   3   7.149   4.750  -1.901
   19   1HG   GLU   3          1HG       GLU   3   8.397   6.434  -0.993
   20   2HG   GLU   3          2HG       GLU   3   7.132   6.226   0.019
   21    H    CYS   4           H        CYS   4   4.649   3.362  -1.823
   22    HA   CYS   4           HA       CYS   4   4.861   0.588  -2.642
   23   1HB   CYS   4          1HB       CYS   4   3.514   2.744  -4.113
   24   2HB   CYS   4          2HB       CYS   4   3.182   1.145  -4.151
   25    H    VAL   5           H        VAL   5   5.590  -0.302  -4.515
   26    HA   VAL   5           HA       VAL   5   8.152   0.380  -5.390
   27    HB   VAL   5           HB       VAL   5   6.076  -1.316  -6.835
   28   1HG1  VAL   5          1HG1      VAL   5   9.094  -1.144  -7.249
   29   2HG1  VAL   5          2HG1      VAL   5   8.031  -2.377  -7.958
   30   3HG1  VAL   5          3HG1      VAL   5   7.848  -0.685  -8.427
   31   1HG2  VAL   5          1HG2      VAL   5   7.275  -3.215  -5.810
   32   2HG2  VAL   5          2HG2      VAL   5   8.361  -2.090  -4.968
   33   3HG2  VAL   5          3HG2      VAL   5   6.637  -2.140  -4.562
   34    H    ARG   6           H        ARG   6   5.541   0.414  -7.747
   35    HA   ARG   6           HA       ARG   6   5.359   3.313  -7.582
   36   1HB   ARG   6          1HB       ARG   6   5.678   2.026 -10.222
   37   2HB   ARG   6          2HB       ARG   6   5.021   3.508 -10.028
   38   1HG   ARG   6          1HG       ARG   6   7.746   2.865  -9.382
   39   2HG   ARG   6          2HG       ARG   6   7.284   3.601 -10.766
   40   1HD   ARG   6          1HD       ARG   6   8.092   5.292  -9.448
   41   2HD   ARG   6          2HD       ARG   6   6.469   5.445  -9.361
   42    HE   ARG   6           HE       ARG   6   7.611   3.859  -7.294
   43   1HH1  ARG   6          1HH1      ARG   6   6.783   7.210  -7.957
   44   2HH1  ARG   6          2HH1      ARG   6   6.485   7.542  -6.283
   45   1HH2  ARG   6          1HH2      ARG   6   7.074   4.314  -5.213
   46   2HH2  ARG   6          2HH2      ARG   6   6.647   5.929  -4.755
   47    H    GLY   7           H        GLY   7   3.975   0.913  -6.648
   48   1HA   GLY   7          1HA       GLY   7   1.393   1.615  -6.460
   49   2HA   GLY   7          2HA       GLY   7   1.369   0.850  -8.049
   50    H    ARG   8           H        ARG   8   3.475  -1.233  -7.185
   51    HA   ARG   8           HA       ARG   8   1.850  -2.983  -5.519
   52   1HB   ARG   8          1HB       ARG   8   4.229  -3.151  -7.206
   53   2HB   ARG   8          2HB       ARG   8   4.218  -4.164  -5.925
   54   1HG   ARG   8          1HG       ARG   8   1.893  -4.064  -7.564
   55   2HG   ARG   8          2HG       ARG   8   3.183  -4.897  -8.122
   56   1HD   ARG   8          1HD       ARG   8   2.076  -6.549  -7.073
   57   2HD   ARG   8          2HD       ARG   8   3.054  -6.051  -5.864
   58    HE   ARG   8           HE       ARG   8   0.301  -5.174  -6.100
   59   1HH1  ARG   8          1HH1      ARG   8   2.751  -6.388  -3.808
   60   2HH1  ARG   8          2HH1      ARG   8   1.579  -6.411  -2.533
   61   1HH2  ARG   8          1HH2      ARG   8  -1.028  -5.244  -4.336
   62   2HH2  ARG   8          2HH2      ARG   8  -0.421  -5.804  -2.813
   63    H    CYS   9           H        CYS   9   2.999  -4.204  -3.935
   64    HA   CYS   9           HA       CYS   9   4.925  -2.853  -2.186
   65   1HB   CYS   9          1HB       CYS   9   2.160  -3.675  -1.523
   66   2HB   CYS   9          2HB       CYS   9   3.302  -3.573  -0.360
   67    HA   PRO  10           HA       PRO  10   6.645  -6.907  -1.615
   68   1HB   PRO  10          1HB       PRO  10   5.816  -6.927   1.216
   69   2HB   PRO  10          2HB       PRO  10   7.263  -7.326   0.572
   70   1HG   PRO  10          1HG       PRO  10   7.011  -4.982   1.622
   71   2HG   PRO  10          2HG       PRO  10   7.840  -5.106   0.221
   72   1HD   PRO  10          1HD       PRO  10   5.118  -4.239   0.577
   73   2HD   PRO  10          2HD       PRO  10   6.225  -3.634  -0.461
   74    H    SER  11           H        SER  11   6.300  -9.196  -0.945
   75    HA   SER  11           HA       SER  11   3.990 -10.358  -2.031
   76   1HB   SER  11          1HB       SER  11   4.954 -12.370  -1.067
   77   2HB   SER  11          2HB       SER  11   6.110 -11.481  -1.802
   78    HG   SER  11           HG       SER  11   5.569 -11.272   0.884
   79    H    GLY  12           H        GLY  12   1.995 -10.004  -1.215
   80   1HA   GLY  12          1HA       GLY  12   0.229 -10.582   0.247
   81   2HA   GLY  12          2HA       GLY  12   1.380 -10.896   1.542
   82    H    MET  13           H        MET  13   2.088  -7.833   0.088
   83    HA   MET  13           HA       MET  13   0.403  -6.357   2.045
   84   1HB   MET  13          1HB       MET  13   2.994  -5.695   0.789
   85   2HB   MET  13          2HB       MET  13   2.140  -4.678   1.739
   86   1HG   MET  13          1HG       MET  13   2.369  -6.325   3.521
   87   2HG   MET  13          2HG       MET  13   3.435  -7.106   2.561
   88   1HE   MET  13          1HE       MET  13   4.145  -6.296   5.519
   89   2HE   MET  13          2HE       MET  13   5.295  -7.129   4.442
   90   3HE   MET  13          3HE       MET  13   5.786  -5.650   5.300
   91    H    CYS  14           H        CYS  14  -0.105  -4.168   1.363
   92    HA   CYS  14           HA       CYS  14  -0.972  -3.916  -1.487
   93   1HB   CYS  14          1HB       CYS  14  -2.522  -3.530   0.997
   94   2HB   CYS  14          2HB       CYS  14  -3.048  -3.116  -0.493
   95    H    CYS  15           H        CYS  15  -1.015  -1.867  -2.286
   96    HA   CYS  15           HA       CYS  15   0.421   0.272  -0.894
   97   1HB   CYS  15          1HB       CYS  15   0.788  -0.274  -3.234
   98   2HB   CYS  15          2HB       CYS  15  -0.761   0.088  -3.605
   99    H    SER  16           H        SER  16  -0.637   1.693   0.393
  100    HA   SER  16           HA       SER  16  -3.516   2.136   0.191
  101   1HB   SER  16          1HB       SER  16  -2.393   2.349   2.297
  102   2HB   SER  16          2HB       SER  16  -1.435   3.552   1.746
  103    HG   SER  16           HG       SER  16  -3.156   4.381   2.986
  104    H    GLN  17           H        GLN  17  -4.487   4.176  -0.167
  105    HA   GLN  17           HA       GLN  17  -3.973   5.685  -2.483
  106   1HB   GLN  17          1HB       GLN  17  -5.650   7.083  -1.583
  107   2HB   GLN  17          2HB       GLN  17  -6.038   5.572  -1.100
  108   1HG   GLN  17          1HG       GLN  17  -5.071   6.071   1.055
  109   2HG   GLN  17          2HG       GLN  17  -4.844   7.610   0.558
  110   1HE2  GLN  17          1HE2      GLN  17  -7.612   5.278   0.811
  111   2HE2  GLN  17          2HE2      GLN  17  -8.632   6.604   1.431
  112    H    TRP  18           H        TRP  18  -2.445   5.924   0.645
  113    HA   TRP  18           HA       TRP  18  -1.415   8.636   0.327
  114   1HB   TRP  18          1HB       TRP  18  -0.836   6.540   2.328
  115   2HB   TRP  18          2HB       TRP  18  -0.492   8.131   2.467
  116    HD1  TRP  18           HD1      TRP  18  -3.226   9.405   1.736
  117    HE1  TRP  18           HE1      TRP  18  -5.303   9.101   3.203
  118    HE3  TRP  18           HE3      TRP  18  -1.705   5.349   4.473
  119    HZ2  TRP  18           HZ2      TRP  18  -6.059   7.536   5.506
  120    HZ3  TRP  18           HZ3      TRP  18  -3.085   4.528   6.360
  121    HH2  TRP  18           HH2      TRP  18  -5.233   5.640   6.921
  122    H    GLY  19           H        GLY  19  -0.503   5.701  -1.035
  123   1HA   GLY  19          1HA       GLY  19   1.327   5.363  -2.459
  124   2HA   GLY  19          2HA       GLY  19   2.125   6.796  -1.811
  125    H    TYR  20           H        TYR  20   1.043   4.592   0.578
  126    HA   TYR  20           HA       TYR  20   3.770   3.420   0.930
  127   1HB   TYR  20          1HB       TYR  20   2.012   4.734   2.874
  128   2HB   TYR  20          2HB       TYR  20   3.068   3.595   3.375
  129    HD1  TYR  20           HD1      TYR  20   5.437   3.960   3.555
  130    HD2  TYR  20           HD2      TYR  20   2.784   6.906   1.849
  131    HE1  TYR  20           HE1      TYR  20   7.304   5.592   3.441
  132    HE2  TYR  20           HE2      TYR  20   4.670   8.532   1.741
  133    HH   TYR  20           HH       TYR  20   6.848   8.877   2.050
  134    H    CYS  21           H        CYS  21   3.961   1.455   1.904
  135    HA   CYS  21           HA       CYS  21   1.828  -0.434   1.270
  136   1HB   CYS  21          1HB       CYS  21   4.626  -0.744   2.186
  137   2HB   CYS  21          2HB       CYS  21   3.663  -1.990   1.752
  138    H    GLY  22           H        GLY  22   1.109  -2.169   2.646
  139   1HA   GLY  22          1HA       GLY  22   1.545  -2.643   5.307
  140   2HA   GLY  22          2HA       GLY  22   0.283  -1.392   5.211
  141    H    LYS  23           H        LYS  23  -1.077  -3.263   6.063
  142    HA   LYS  23           HA       LYS  23  -2.174  -4.927   3.830
  143   1HB   LYS  23          1HB       LYS  23  -1.380  -5.725   6.572
  144   2HB   LYS  23          2HB       LYS  23  -2.241  -6.680   5.565
  145   1HG   LYS  23          1HG       LYS  23  -0.439  -6.981   4.160
  146   2HG   LYS  23          2HG       LYS  23   0.397  -5.767   4.864
  147   1HD   LYS  23          1HD       LYS  23   1.354  -7.692   5.674
  148   2HD   LYS  23          2HD       LYS  23   0.431  -7.128   6.898
  149   1HE   LYS  23          1HE       LYS  23  -0.032  -9.360   6.867
  150   2HE   LYS  23          2HE       LYS  23  -1.305  -8.698   6.087
  151   1HZ   LYS  23          1HZ       LYS  23  -0.212  -9.211   3.985
  152   2HZ   LYS  23          2HZ       LYS  23   0.937  -9.990   4.846
  153   3HZ   LYS  23          3HZ       LYS  23  -0.608 -10.550   4.864
  154    H    GLY  24           H        GLY  24  -4.325  -5.780   4.299
  155   1HA   GLY  24          1HA       GLY  24  -6.400  -5.869   5.330
  156   2HA   GLY  24          2HA       GLY  24  -5.782  -4.832   6.616
  157    HA   PRO  25           HA       PRO  25  -9.035  -2.882   3.941
  158   1HB   PRO  25          1HB       PRO  25 -10.726  -2.093   5.850
  159   2HB   PRO  25          2HB       PRO  25 -10.653  -3.652   5.369
  160   1HG   PRO  25          1HG       PRO  25  -9.381  -2.492   7.703
  161   2HG   PRO  25          2HG       PRO  25 -10.249  -3.875   7.646
  162   1HD   PRO  25          1HD       PRO  25  -7.652  -3.987   7.512
  163   2HD   PRO  25          2HD       PRO  25  -8.551  -5.041   6.647
  164    H    LYS  26           H        LYS  26  -6.579  -1.442   5.431
  165    HA   LYS  26           HA       LYS  26  -7.525   1.219   4.541
  166   1HB   LYS  26          1HB       LYS  26  -7.401   1.150   6.963
  167   2HB   LYS  26          2HB       LYS  26  -5.789   0.896   6.880
  168   1HG   LYS  26          1HG       LYS  26  -6.289   3.145   7.401
  169   2HG   LYS  26          2HG       LYS  26  -5.449   3.023   6.006
  170   1HD   LYS  26          1HD       LYS  26  -8.284   3.355   5.939
  171   2HD   LYS  26          2HD       LYS  26  -7.314   4.657   6.125
  172   1HE   LYS  26          1HE       LYS  26  -7.551   3.015   3.784
  173   2HE   LYS  26          2HE       LYS  26  -7.908   4.604   3.908
  174   1HZ   LYS  26          1HZ       LYS  26  -5.276   3.468   3.984
  175   2HZ   LYS  26          2HZ       LYS  26  -5.886   4.233   2.711
  176   3HZ   LYS  26          3HZ       LYS  26  -5.566   5.093   4.120
  177    H    TYR  27           H        TYR  27  -5.781  -1.201   3.642
  178    HA   TYR  27           HA       TYR  27  -3.692   0.408   2.247
  179   1HB   TYR  27          1HB       TYR  27  -3.335  -1.967   3.941
  180   2HB   TYR  27          2HB       TYR  27  -2.302  -1.674   2.710
  181    HD1  TYR  27           HD1      TYR  27  -0.890   0.381   2.630
  182    HD2  TYR  27           HD2      TYR  27  -3.216  -0.818   6.063
  183    HE1  TYR  27           HE1      TYR  27   0.387   1.968   4.041
  184    HE2  TYR  27           HE2      TYR  27  -1.916   0.778   7.484
  185    HH   TYR  27           HH       TYR  27   0.802   2.661   6.191
  186    H    CYS  28           H        CYS  28  -5.213  -2.862   2.490
  187    HA   CYS  28           HA       CYS  28  -5.299  -3.201  -0.426
  188   1HB   CYS  28          1HB       CYS  28  -6.675  -4.642   1.756
  189   2HB   CYS  28          2HB       CYS  28  -6.498  -5.147   0.212
  190    H    GLY  29           H        GLY  29  -7.476  -2.341   2.271
  191   1HA   GLY  29          1HA       GLY  29  -9.451  -0.999   0.512
  192   2HA   GLY  29          2HA       GLY  29  -9.383  -0.923   2.274
  193    H    ARG  30           H        ARG  30  -7.387  -0.098  -0.527
  194    HA   ARG  30           HA       ARG  30  -5.418   1.262   0.402
  195   1HB   ARG  30          1HB       ARG  30  -5.608   2.610  -1.792
  196   2HB   ARG  30          2HB       ARG  30  -5.209   1.027  -1.733
  197   1HG   ARG  30          1HG       ARG  30  -6.544   1.150  -3.524
  198   2HG   ARG  30          2HG       ARG  30  -7.544   0.585  -2.363
  199   1HD   ARG  30          1HD       ARG  30  -7.525   3.280  -3.376
  200   2HD   ARG  30          2HD       ARG  30  -8.690   2.168  -3.651
  201    HE   ARG  30           HE       ARG  30  -8.137   3.385  -1.072
  202   1HH1  ARG  30          1HH1      ARG  30 -10.654   1.748  -2.932
  203   2HH1  ARG  30          2HH1      ARG  30 -11.667   1.698  -1.529
  204   1HH2  ARG  30          1HH2      ARG  30  -9.348   3.260   0.532
  205   2HH2  ARG  30          2HH2      ARG  30 -10.926   2.553   0.435
  Start of MODEL    5
    1   1H    VAL   1          1H        VAL   1  11.161   8.343   0.043
    2   2H    VAL   1          2H        VAL   1  10.397   7.912   1.457
    3   3H    VAL   1          3H        VAL   1   9.632   7.741   0.012
    4    HA   VAL   1           HA       VAL   1  10.879   5.971  -0.661
    5    HB   VAL   1           HB       VAL   1  13.034   6.880  -0.069
    6   1HG1  VAL   1          1HG1      VAL   1  12.574   7.717   2.242
    7   2HG1  VAL   1          2HG1      VAL   1  12.547   6.039   2.819
    8   3HG1  VAL   1          3HG1      VAL   1  14.034   6.725   2.148
    9   1HG2  VAL   1          1HG2      VAL   1  12.923   4.497  -0.590
   10   2HG2  VAL   1          2HG2      VAL   1  14.199   4.830   0.583
   11   3HG2  VAL   1          3HG2      VAL   1  12.676   4.110   1.132
   12    H    GLY   2           H        GLY   2   9.418   3.657   1.587
   13   1HA   GLY   2          1HA       GLY   2  10.791   4.030  -1.028
   14   2HA   GLY   2          2HA       GLY   2  10.165   2.538  -0.359
   15    H    GLU   3           H        GLU   3   7.630   4.515   0.136
   16    HA   GLU   3           HA       GLU   3   5.537   4.590  -0.740
   17   1HB   GLU   3          1HB       GLU   3   6.919   4.863  -3.327
   18   2HB   GLU   3          2HB       GLU   3   5.336   5.165  -3.064
   19   1HG   GLU   3          1HG       GLU   3   6.434   7.191  -3.220
   20   2HG   GLU   3          2HG       GLU   3   5.950   7.000  -1.672
   21    H    CYS   4           H        CYS   4   4.059   3.533  -2.540
   22    HA   CYS   4           HA       CYS   4   4.436   0.635  -2.752
   23   1HB   CYS   4          1HB       CYS   4   2.712   2.354  -4.416
   24   2HB   CYS   4          2HB       CYS   4   2.613   0.732  -4.257
   25    H    VAL   5           H        VAL   5   6.096  -0.103  -3.830
   26    HA   VAL   5           HA       VAL   5   8.335   0.824  -4.395
   27    HB   VAL   5           HB       VAL   5   7.135  -0.939  -6.567
   28   1HG1  VAL   5          1HG1      VAL   5   9.463  -1.760  -6.860
   29   2HG1  VAL   5          2HG1      VAL   5   9.334  -0.059  -7.289
   30   3HG1  VAL   5          3HG1      VAL   5  10.042  -0.521  -5.727
   31   1HG2  VAL   5          1HG2      VAL   5   6.838  -1.917  -4.345
   32   2HG2  VAL   5          2HG2      VAL   5   8.099  -2.790  -5.215
   33   3HG2  VAL   5          3HG2      VAL   5   8.543  -1.620  -3.950
   34    H    ARG   6           H        ARG   6   7.149   0.705  -7.688
   35    HA   ARG   6           HA       ARG   6   6.296   3.466  -7.527
   36   1HB   ARG   6          1HB       ARG   6   8.121   2.651  -9.708
   37   2HB   ARG   6          2HB       ARG   6   7.135   3.949  -9.816
   38   1HG   ARG   6          1HG       ARG   6   9.253   3.686  -7.871
   39   2HG   ARG   6          2HG       ARG   6   9.358   4.593  -9.225
   40   1HD   ARG   6          1HD       ARG   6   7.642   6.013  -8.429
   41   2HD   ARG   6          2HD       ARG   6   7.478   5.087  -7.093
   42    HE   ARG   6           HE       ARG   6   9.557   6.988  -7.618
   43   1HH1  ARG   6          1HH1      ARG   6   8.495   4.538  -5.305
   44   2HH1  ARG   6          2HH1      ARG   6   9.064   5.464  -3.956
   45   1HH2  ARG   6          1HH2      ARG   6  10.079   8.161  -5.683
   46   2HH2  ARG   6          2HH2      ARG   6   9.896   7.369  -4.153
   47    H    GLY   7           H        GLY   7   5.000   1.352  -7.061
   48   1HA   GLY   7          1HA       GLY   7   2.624   1.821  -7.912
   49   2HA   GLY   7          2HA       GLY   7   3.077   0.867  -9.308
   50    H    ARG   8           H        ARG   8   4.632  -0.896  -6.961
   51    HA   ARG   8           HA       ARG   8   2.206  -2.388  -6.186
   52   1HB   ARG   8          1HB       ARG   8   3.412  -4.350  -6.611
   53   2HB   ARG   8          2HB       ARG   8   3.543  -3.429  -7.954
   54   1HG   ARG   8          1HG       ARG   8   5.764  -3.120  -7.674
   55   2HG   ARG   8          2HG       ARG   8   5.701  -3.452  -6.076
   56   1HD   ARG   8          1HD       ARG   8   5.288  -5.486  -8.078
   57   2HD   ARG   8          2HD       ARG   8   6.758  -5.195  -7.427
   58    HE   ARG   8           HE       ARG   8   5.025  -5.654  -5.305
   59   1HH1  ARG   8          1HH1      ARG   8   6.528  -7.635  -7.810
   60   2HH1  ARG   8          2HH1      ARG   8   6.387  -9.054  -6.827
   61   1HH2  ARG   8          1HH2      ARG   8   4.876  -7.436  -4.175
   62   2HH2  ARG   8          2HH2      ARG   8   5.463  -8.942  -4.795
   63    H    CYS   9           H        CYS   9   2.897  -4.118  -4.478
   64    HA   CYS   9           HA       CYS   9   4.647  -2.894  -2.424
   65   1HB   CYS   9          1HB       CYS   9   1.869  -3.845  -2.155
   66   2HB   CYS   9          2HB       CYS   9   2.869  -3.844  -0.863
   67    HA   PRO  10           HA       PRO  10   6.629  -6.799  -1.901
   68   1HB   PRO  10          1HB       PRO  10   5.681  -6.879   0.886
   69   2HB   PRO  10          2HB       PRO  10   7.184  -7.149   0.307
   70   1HG   PRO  10          1HG       PRO  10   6.659  -4.847   1.373
   71   2HG   PRO  10          2HG       PRO  10   7.613  -4.897   0.049
   72   1HD   PRO  10          1HD       PRO  10   4.833  -4.184   0.181
   73   2HD   PRO  10          2HD       PRO  10   5.981  -3.538  -0.784
   74    H    SER  11           H        SER  11   6.246  -9.018  -1.851
   75    HA   SER  11           HA       SER  11   3.664  -9.778  -2.823
   76   1HB   SER  11          1HB       SER  11   6.044 -11.427  -2.240
   77   2HB   SER  11          2HB       SER  11   4.738 -11.931  -3.082
   78    HG   SER  11           HG       SER  11   6.408 -11.282  -4.425
   79    H    GLY  12           H        GLY  12   2.459  -9.184  -0.977
   80   1HA   GLY  12          1HA       GLY  12   1.101 -11.030   0.513
   81   2HA   GLY  12          2HA       GLY  12   2.550 -10.787   1.487
   82    H    MET  13           H        MET  13   2.460  -7.776   0.403
   83    HA   MET  13           HA       MET  13   0.677  -6.705   2.500
   84   1HB   MET  13          1HB       MET  13   2.811  -5.612   0.781
   85   2HB   MET  13          2HB       MET  13   1.829  -4.624   1.634
   86   1HG   MET  13          1HG       MET  13   2.492  -5.837   3.634
   87   2HG   MET  13          2HG       MET  13   3.610  -6.606   2.725
   88   1HE   MET  13          1HE       MET  13   4.220  -5.071   5.456
   89   2HE   MET  13          2HE       MET  13   5.469  -5.955   4.543
   90   3HE   MET  13          3HE       MET  13   5.748  -4.266   5.028
   91    H    CYS  14           H        CYS  14  -0.183  -4.360   1.547
   92    HA   CYS  14           HA       CYS  14  -1.084  -4.436  -1.215
   93   1HB   CYS  14          1HB       CYS  14  -3.327  -3.582  -0.276
   94   2HB   CYS  14          2HB       CYS  14  -3.068  -5.174  -0.534
   95    H    CYS  15           H        CYS  15  -1.830  -2.271  -1.901
   96    HA   CYS  15           HA       CYS  15  -0.041  -0.191  -0.791
   97   1HB   CYS  15          1HB       CYS  15   0.142  -0.798  -3.108
   98   2HB   CYS  15          2HB       CYS  15  -1.431  -0.462  -3.388
   99    H    SER  16           H        SER  16  -0.829   1.468   0.380
  100    HA   SER  16           HA       SER  16  -3.714   1.972   0.601
  101   1HB   SER  16          1HB       SER  16  -2.048   2.263   2.430
  102   2HB   SER  16          2HB       SER  16  -1.455   3.575   1.658
  103    HG   SER  16           HG       SER  16  -2.992   4.178   3.231
  104    H    GLN  17           H        GLN  17  -4.709   3.996   0.241
  105    HA   GLN  17           HA       GLN  17  -3.885   5.645  -2.001
  106   1HB   GLN  17          1HB       GLN  17  -5.765   6.861  -1.531
  107   2HB   GLN  17          2HB       GLN  17  -6.200   5.345  -1.107
  108   1HG   GLN  17          1HG       GLN  17  -6.903   6.142   0.790
  109   2HG   GLN  17          2HG       GLN  17  -5.351   6.476   1.177
  110   1HE2  GLN  17          1HE2      GLN  17  -4.577   8.714  -0.218
  111   2HE2  GLN  17          2HE2      GLN  17  -5.762   9.979   0.146
  112    H    TRP  18           H        TRP  18  -2.659   5.432   1.210
  113    HA   TRP  18           HA       TRP  18  -1.568   8.130   1.387
  114   1HB   TRP  18          1HB       TRP  18  -0.578   5.614   2.554
  115   2HB   TRP  18          2HB       TRP  18  -0.243   7.132   3.056
  116    HD1  TRP  18           HD1      TRP  18  -1.149   4.847   4.946
  117    HE1  TRP  18           HE1      TRP  18  -3.216   5.152   6.422
  118    HE3  TRP  18           HE3      TRP  18  -3.507   8.611   2.340
  119    HZ2  TRP  18           HZ2      TRP  18  -5.564   6.797   6.490
  120    HZ3  TRP  18           HZ3      TRP  18  -5.666   9.496   3.139
  121    HH2  TRP  18           HH2      TRP  18  -6.710   8.607   5.205
  122    H    GLY  19           H        GLY  19  -0.977   5.509  -0.737
  123   1HA   GLY  19          1HA       GLY  19   0.577   5.340  -2.445
  124   2HA   GLY  19          2HA       GLY  19   1.437   6.754  -1.829
  125    H    TYR  20           H        TYR  20   0.832   4.290   0.502
  126    HA   TYR  20           HA       TYR  20   3.559   3.117   0.261
  127   1HB   TYR  20          1HB       TYR  20   2.394   4.535   2.544
  128   2HB   TYR  20          2HB       TYR  20   3.407   3.288   2.832
  129    HD1  TYR  20           HD1      TYR  20   3.236   6.466   0.964
  130    HD2  TYR  20           HD2      TYR  20   5.716   3.647   3.104
  131    HE1  TYR  20           HE1      TYR  20   5.188   7.971   0.688
  132    HE2  TYR  20           HE2      TYR  20   7.642   5.212   2.900
  133    HH   TYR  20           HH       TYR  20   8.410   7.099   2.031
  134    H    CYS  21           H        CYS  21   3.837   1.182   1.605
  135    HA   CYS  21           HA       CYS  21   1.581  -0.613   1.094
  136   1HB   CYS  21          1HB       CYS  21   4.416  -1.116   1.761
  137   2HB   CYS  21          2HB       CYS  21   3.340  -2.262   1.317
  138    H    GLY  22           H        GLY  22   0.931  -2.285   2.483
  139   1HA   GLY  22          1HA       GLY  22   1.703  -2.816   5.144
  140   2HA   GLY  22          2HA       GLY  22   0.444  -1.568   5.192
  141    H    LYS  23           H        LYS  23  -0.950  -3.178   6.266
  142    HA   LYS  23           HA       LYS  23  -2.523  -4.650   4.312
  143   1HB   LYS  23          1HB       LYS  23  -0.892  -6.032   5.933
  144   2HB   LYS  23          2HB       LYS  23  -2.186  -5.924   6.924
  145   1HG   LYS  23          1HG       LYS  23  -2.485  -7.897   5.771
  146   2HG   LYS  23          2HG       LYS  23  -3.519  -6.843   5.073
  147   1HD   LYS  23          1HD       LYS  23  -1.729  -6.417   3.412
  148   2HD   LYS  23          2HD       LYS  23  -0.996  -7.750   4.008
  149   1HE   LYS  23          1HE       LYS  23  -2.906  -9.060   3.453
  150   2HE   LYS  23          2HE       LYS  23  -3.659  -7.729   2.880
  151   1HZ   LYS  23          1HZ       LYS  23  -2.783  -9.048   1.109
  152   2HZ   LYS  23          2HZ       LYS  23  -2.042  -7.577   1.123
  153   3HZ   LYS  23          3HZ       LYS  23  -1.281  -8.869   1.767
  154    H    GLY  24           H        GLY  24  -4.680  -5.190   5.154
  155   1HA   GLY  24          1HA       GLY  24  -6.496  -4.884   6.636
  156   2HA   GLY  24          2HA       GLY  24  -5.642  -3.560   7.425
  157    HA   PRO  25           HA       PRO  25  -9.145  -2.236   4.592
  158   1HB   PRO  25          1HB       PRO  25 -10.635  -0.940   6.364
  159   2HB   PRO  25          2HB       PRO  25 -10.631  -2.572   6.308
  160   1HG   PRO  25          1HG       PRO  25  -9.115  -0.896   8.130
  161   2HG   PRO  25          2HG       PRO  25 -10.029  -2.189   8.525
  162   1HD   PRO  25          1HD       PRO  25  -7.468  -2.494   8.208
  163   2HD   PRO  25          2HD       PRO  25  -8.483  -3.679   7.725
  164    H    LYS  26           H        LYS  26  -6.517  -0.704   5.359
  165    HA   LYS  26           HA       LYS  26  -7.410   1.803   4.018
  166   1HB   LYS  26          1HB       LYS  26  -6.709   1.950   6.520
  167   2HB   LYS  26          2HB       LYS  26  -5.189   1.920   5.924
  168   1HG   LYS  26          1HG       LYS  26  -5.575   4.122   6.125
  169   2HG   LYS  26          2HG       LYS  26  -5.905   3.858   4.547
  170   1HD   LYS  26          1HD       LYS  26  -8.029   3.883   6.465
  171   2HD   LYS  26          2HD       LYS  26  -7.477   5.288   5.842
  172   1HE   LYS  26          1HE       LYS  26  -8.885   5.045   4.213
  173   2HE   LYS  26          2HE       LYS  26  -8.004   3.766   3.705
  174   1HZ   LYS  26          1HZ       LYS  26 -10.247   3.565   5.500
  175   2HZ   LYS  26          2HZ       LYS  26 -10.279   3.209   3.890
  176   3HZ   LYS  26          3HZ       LYS  26  -9.400   2.277   4.875
  177    H    TYR  27           H        TYR  27  -5.942  -0.907   3.532
  178    HA   TYR  27           HA       TYR  27  -3.894   0.069   1.602
  179   1HB   TYR  27          1HB       TYR  27  -3.663  -2.150   3.546
  180   2HB   TYR  27          2HB       TYR  27  -2.607  -1.878   2.330
  181    HD1  TYR  27           HD1      TYR  27  -0.920  -0.138   2.385
  182    HD2  TYR  27           HD2      TYR  27  -3.739  -0.750   5.592
  183    HE1  TYR  27           HE1      TYR  27   0.387   1.401   3.826
  184    HE2  TYR  27           HE2      TYR  27  -2.411   0.785   7.042
  185    HH   TYR  27           HH       TYR  27   0.669   2.188   5.967
  186    H    CYS  28           H        CYS  28  -5.820  -2.734   2.749
  187    HA   CYS  28           HA       CYS  28  -6.191  -3.745  -0.017
  188   1HB   CYS  28          1HB       CYS  28  -6.591  -4.795   2.691
  189   2HB   CYS  28          2HB       CYS  28  -7.289  -5.520   1.405
  190    H    GLY  29           H        GLY  29  -7.568  -1.336   1.662
  191   1HA   GLY  29          1HA       GLY  29 -10.061  -1.487   0.195
  192   2HA   GLY  29          2HA       GLY  29 -10.255  -1.400   1.959
  193    H    ARG  30           H        ARG  30 -11.090   0.598   0.127
  194    HA   ARG  30           HA       ARG  30  -9.240   2.775  -0.157
  195   1HB   ARG  30          1HB       ARG  30 -11.269   2.397  -1.517
  196   2HB   ARG  30          2HB       ARG  30 -12.204   2.848  -0.256
  197   1HG   ARG  30          1HG       ARG  30 -10.219   4.689  -1.141
  198   2HG   ARG  30          2HG       ARG  30 -11.562   4.536  -2.058
  199   1HD   ARG  30          1HD       ARG  30 -12.910   5.375  -0.393
  200   2HD   ARG  30          2HD       ARG  30 -11.744   5.198   0.737
  201    HE   ARG  30           HE       ARG  30 -12.036   7.373  -1.090
  202   1HH1  ARG  30          1HH1      ARG  30  -9.789   5.885   1.215
  203   2HH1  ARG  30          2HH1      ARG  30  -8.809   7.313   1.265
  204   1HH2  ARG  30          1HH2      ARG  30 -10.606   9.124  -0.946
  205   2HH2  ARG  30          2HH2      ARG  30  -9.242   9.033   0.118
  Start of MODEL    6
    1   1H    VAL   1          1H        VAL   1  11.085   7.345  -2.821
    2   2H    VAL   1          2H        VAL   1  11.085   8.992  -2.925
    3   3H    VAL   1          3H        VAL   1   9.748   8.175  -2.426
    4    HA   VAL   1           HA       VAL   1  12.313   8.258  -1.001
    5    HB   VAL   1           HB       VAL   1  11.125   9.551   0.760
    6   1HG1  VAL   1          1HG1      VAL   1  11.536  11.677  -0.344
    7   2HG1  VAL   1          2HG1      VAL   1  12.768  10.508  -0.827
    8   3HG1  VAL   1          3HG1      VAL   1  11.446  10.925  -1.944
    9   1HG2  VAL   1          1HG2      VAL   1   9.227  10.972   0.127
   10   2HG2  VAL   1          2HG2      VAL   1   9.072  10.147  -1.431
   11   3HG2  VAL   1          3HG2      VAL   1   8.748   9.281   0.086
   12    H    GLY   2           H        GLY   2   8.910   7.354  -0.536
   13   1HA   GLY   2          1HA       GLY   2   9.805   4.785   0.673
   14   2HA   GLY   2          2HA       GLY   2   8.908   5.855   1.742
   15    H    GLU   3           H        GLU   3   7.617   6.390  -1.267
   16    HA   GLU   3           HA       GLU   3   5.160   5.103  -0.880
   17   1HB   GLU   3          1HB       GLU   3   4.766   5.976  -3.067
   18   2HB   GLU   3          2HB       GLU   3   5.535   7.096  -2.159
   19   1HG   GLU   3          1HG       GLU   3   6.835   5.574  -4.216
   20   2HG   GLU   3          2HG       GLU   3   6.226   7.071  -4.455
   21    H    CYS   4           H        CYS   4   4.110   3.701  -2.483
   22    HA   CYS   4           HA       CYS   4   5.022   1.085  -2.504
   23   1HB   CYS   4          1HB       CYS   4   3.197   2.382  -4.426
   24   2HB   CYS   4          2HB       CYS   4   3.288   0.775  -4.153
   25    H    VAL   5           H        VAL   5   5.944  -0.313  -3.952
   26    HA   VAL   5           HA       VAL   5   8.474   0.181  -4.230
   27    HB   VAL   5           HB       VAL   5   6.982  -1.645  -6.122
   28   1HG1  VAL   5          1HG1      VAL   5   9.974  -1.543  -5.535
   29   2HG1  VAL   5          2HG1      VAL   5   9.143  -2.879  -6.357
   30   3HG1  VAL   5          3HG1      VAL   5   9.200  -1.289  -7.114
   31   1HG2  VAL   5          1HG2      VAL   5   8.532  -2.178  -3.545
   32   2HG2  VAL   5          2HG2      VAL   5   6.770  -2.129  -3.672
   33   3HG2  VAL   5          3HG2      VAL   5   7.673  -3.389  -4.521
   34    H    ARG   6           H        ARG   6   7.016   0.077  -7.433
   35    HA   ARG   6           HA       ARG   6   7.304   2.989  -7.602
   36   1HB   ARG   6          1HB       ARG   6   7.902   1.216  -9.894
   37   2HB   ARG   6          2HB       ARG   6   7.477   2.783 -10.077
   38   1HG   ARG   6          1HG       ARG   6   9.891   1.889  -8.800
   39   2HG   ARG   6          2HG       ARG   6   9.809   2.485 -10.318
   40   1HD   ARG   6          1HD       ARG   6  10.561   4.286  -9.178
   41   2HD   ARG   6          2HD       ARG   6   8.953   4.572  -9.179
   42    HE   ARG   6           HE       ARG   6   9.661   3.013  -6.970
   43   1HH1  ARG   6          1HH1      ARG   6   9.554   6.504  -7.643
   44   2HH1  ARG   6          2HH1      ARG   6   9.340   6.802  -5.950
   45   1HH2  ARG   6          1HH2      ARG   6   9.380   3.535  -4.998
   46   2HH2  ARG   6          2HH2      ARG   6   9.245   5.194  -4.520
   47    H    GLY   7           H        GLY   7   5.363   1.076  -6.674
   48   1HA   GLY   7          1HA       GLY   7   3.006   2.135  -7.019
   49   2HA   GLY   7          2HA       GLY   7   3.046   1.286  -8.559
   50    H    ARG   8           H        ARG   8   4.532  -1.050  -7.074
   51    HA   ARG   8           HA       ARG   8   2.114  -2.339  -5.956
   52   1HB   ARG   8          1HB       ARG   8   3.174  -4.334  -6.527
   53   2HB   ARG   8          2HB       ARG   8   3.311  -3.364  -7.834
   54   1HG   ARG   8          1HG       ARG   8   5.557  -3.215  -7.642
   55   2HG   ARG   8          2HG       ARG   8   5.538  -3.590  -6.053
   56   1HD   ARG   8          1HD       ARG   8   4.921  -5.524  -8.102
   57   2HD   ARG   8          2HD       ARG   8   6.419  -5.365  -7.472
   58    HE   ARG   8           HE       ARG   8   4.987  -5.773  -5.243
   59   1HH1  ARG   8          1HH1      ARG   8   5.172  -7.725  -8.176
   60   2HH1  ARG   8          2HH1      ARG   8   4.672  -9.141  -7.315
   61   1HH2  ARG   8          1HH2      ARG   8   4.331  -7.540  -4.269
   62   2HH2  ARG   8          2HH2      ARG   8   4.201  -9.037  -5.129
   63    H    CYS   9           H        CYS   9   2.886  -4.176  -4.355
   64    HA   CYS   9           HA       CYS   9   4.719  -3.033  -2.320
   65   1HB   CYS   9          1HB       CYS   9   1.959  -4.026  -1.975
   66   2HB   CYS   9          2HB       CYS   9   2.983  -3.841  -0.715
   67    HA   PRO  10           HA       PRO  10   6.575  -7.013  -1.655
   68   1HB   PRO  10          1HB       PRO  10   5.644  -6.905   1.134
   69   2HB   PRO  10          2HB       PRO  10   7.134  -7.249   0.562
   70   1HG   PRO  10          1HG       PRO  10   6.694  -4.879   1.496
   71   2HG   PRO  10          2HG       PRO  10   7.612  -5.024   0.153
   72   1HD   PRO  10          1HD       PRO  10   4.836  -4.286   0.308
   73   2HD   PRO  10          2HD       PRO  10   5.971  -3.678  -0.697
   74    H    SER  11           H        SER  11   6.202  -9.236  -0.517
   75    HA   SER  11           HA       SER  11   4.287 -10.612  -1.986
   76   1HB   SER  11          1HB       SER  11   5.010 -12.476  -0.641
   77   2HB   SER  11          2HB       SER  11   6.297 -11.572  -1.081
   78    HG   SER  11           HG       SER  11   4.982 -11.308   1.317
   79    H    GLY  12           H        GLY  12   2.234  -9.730  -1.698
   80   1HA   GLY  12          1HA       GLY  12   0.045 -10.355  -1.007
   81   2HA   GLY  12          2HA       GLY  12   0.678 -10.917   0.538
   82    H    MET  13           H        MET  13   2.115  -7.905   0.002
   83    HA   MET  13           HA       MET  13   0.274  -6.541   1.870
   84   1HB   MET  13          1HB       MET  13   2.880  -5.897   0.655
   85   2HB   MET  13          2HB       MET  13   2.012  -4.757   1.439
   86   1HG   MET  13          1HG       MET  13   3.568  -5.572   2.921
   87   2HG   MET  13          2HG       MET  13   2.101  -6.102   3.407
   88   1HE   MET  13          1HE       MET  13   2.010  -8.327   4.666
   89   2HE   MET  13          2HE       MET  13   1.160  -8.571   3.123
   90   3HE   MET  13          3HE       MET  13   2.312  -9.794   3.705
   91    H    CYS  14           H        CYS  14  -0.176  -4.220   1.313
   92    HA   CYS  14           HA       CYS  14  -1.389  -3.997  -1.417
   93   1HB   CYS  14          1HB       CYS  14  -2.784  -3.270   1.059
   94   2HB   CYS  14          2HB       CYS  14  -3.415  -3.540  -0.423
   95    H    CYS  15           H        CYS  15  -1.398  -1.980  -2.300
   96    HA   CYS  15           HA       CYS  15   0.052   0.211  -0.976
   97   1HB   CYS  15          1HB       CYS  15   0.409  -0.458  -3.322
   98   2HB   CYS  15          2HB       CYS  15  -1.090   0.070  -3.698
   99    H    SER  16           H        SER  16  -1.029   1.682   0.237
  100    HA   SER  16           HA       SER  16  -3.944   1.931   0.105
  101   1HB   SER  16          1HB       SER  16  -2.800   2.163   2.192
  102   2HB   SER  16          2HB       SER  16  -1.932   3.439   1.658
  103    HG   SER  16           HG       SER  16  -3.657   4.118   2.973
  104    H    GLN  17           H        GLN  17  -5.014   3.982  -0.095
  105    HA   GLN  17           HA       GLN  17  -4.627   5.812  -2.165
  106   1HB   GLN  17          1HB       GLN  17  -6.575   5.477  -0.678
  107   2HB   GLN  17          2HB       GLN  17  -5.784   6.221   0.542
  108   1HG   GLN  17          1HG       GLN  17  -7.379   7.656  -0.517
  109   2HG   GLN  17          2HG       GLN  17  -5.864   8.264  -0.583
  110   1HE2  GLN  17          1HE2      GLN  17  -4.706   8.400  -2.561
  111   2HE2  GLN  17          2HE2      GLN  17  -5.615   8.223  -4.077
  112    H    TRP  18           H        TRP  18  -2.897   5.569   0.872
  113    HA   TRP  18           HA       TRP  18  -1.829   8.235   1.082
  114   1HB   TRP  18          1HB       TRP  18  -0.618   5.687   1.930
  115   2HB   TRP  18          2HB       TRP  18  -0.343   7.170   2.557
  116    HD1  TRP  18           HD1      TRP  18  -0.727   4.896   4.431
  117    HE1  TRP  18           HE1      TRP  18  -2.676   4.776   6.068
  118    HE3  TRP  18           HE3      TRP  18  -4.010   8.087   2.063
  119    HZ2  TRP  18           HZ2      TRP  18  -5.261   5.973   6.385
  120    HZ3  TRP  18           HZ3      TRP  18  -6.227   8.518   3.048
  121    HH2  TRP  18           HH2      TRP  18  -6.870   7.494   5.214
  122    H    GLY  19           H        GLY  19  -1.235   5.665  -1.130
  123   1HA   GLY  19          1HA       GLY  19   0.334   5.432  -2.850
  124   2HA   GLY  19          2HA       GLY  19   1.195   6.872  -2.292
  125    H    TYR  20           H        TYR  20   0.525   4.648   0.227
  126    HA   TYR  20           HA       TYR  20   3.327   3.597   0.204
  127   1HB   TYR  20          1HB       TYR  20   1.802   4.946   2.297
  128   2HB   TYR  20          2HB       TYR  20   2.855   3.779   2.741
  129    HD1  TYR  20           HD1      TYR  20   2.801   6.825   0.614
  130    HD2  TYR  20           HD2      TYR  20   5.012   4.367   3.395
  131    HE1  TYR  20           HE1      TYR  20   4.697   8.430   0.542
  132    HE2  TYR  20           HE2      TYR  20   6.864   5.995   3.366
  133    HH   TYR  20           HH       TYR  20   7.665   7.904   2.519
  134    H    CYS  21           H        CYS  21   3.696   1.621   1.234
  135    HA   CYS  21           HA       CYS  21   1.557  -0.311   0.804
  136   1HB   CYS  21          1HB       CYS  21   4.407  -0.565   1.534
  137   2HB   CYS  21          2HB       CYS  21   3.421  -1.850   1.322
  138    H    GLY  22           H        GLY  22   0.829  -1.853   2.209
  139   1HA   GLY  22          1HA       GLY  22   1.703  -2.342   4.875
  140   2HA   GLY  22          2HA       GLY  22   0.279  -1.287   4.910
  141    H    LYS  23           H        LYS  23  -0.998  -3.097   5.898
  142    HA   LYS  23           HA       LYS  23  -2.197  -4.706   3.888
  143   1HB   LYS  23          1HB       LYS  23  -0.379  -6.024   5.031
  144   2HB   LYS  23          2HB       LYS  23  -1.185  -5.870   6.444
  145   1HG   LYS  23          1HG       LYS  23  -1.504  -8.015   5.379
  146   2HG   LYS  23          2HG       LYS  23  -2.905  -7.233   5.687
  147   1HD   LYS  23          1HD       LYS  23  -3.071  -6.546   3.456
  148   2HD   LYS  23          2HD       LYS  23  -1.592  -7.152   3.122
  149   1HE   LYS  23          1HE       LYS  23  -2.436  -9.362   3.561
  150   2HE   LYS  23          2HE       LYS  23  -3.922  -8.724   3.789
  151   1HZ   LYS  23          1HZ       LYS  23  -3.770  -9.594   1.608
  152   2HZ   LYS  23          2HZ       LYS  23  -3.885  -7.946   1.517
  153   3HZ   LYS  23          3HZ       LYS  23  -2.425  -8.684   1.346
  154    H    GLY  24           H        GLY  24  -4.298  -5.570   4.729
  155   1HA   GLY  24          1HA       GLY  24  -6.081  -5.671   6.207
  156   2HA   GLY  24          2HA       GLY  24  -5.289  -4.503   7.262
  157    HA   PRO  25           HA       PRO  25  -9.217  -2.913   5.275
  158   1HB   PRO  25          1HB       PRO  25  -9.482  -1.749   7.964
  159   2HB   PRO  25          2HB       PRO  25 -10.620  -2.463   7.036
  160   1HG   PRO  25          1HG       PRO  25  -9.582  -3.817   8.974
  161   2HG   PRO  25          2HG       PRO  25  -9.880  -4.582   7.562
  162   1HD   PRO  25          1HD       PRO  25  -7.360  -3.563   8.507
  163   2HD   PRO  25          2HD       PRO  25  -7.631  -4.971   7.725
  164    H    LYS  26           H        LYS  26  -6.429  -1.255   6.098
  165    HA   LYS  26           HA       LYS  26  -7.565   1.250   4.982
  166   1HB   LYS  26          1HB       LYS  26  -7.167   1.457   7.379
  167   2HB   LYS  26          2HB       LYS  26  -5.564   1.285   7.121
  168   1HG   LYS  26          1HG       LYS  26  -6.135   3.545   7.453
  169   2HG   LYS  26          2HG       LYS  26  -5.489   3.310   5.971
  170   1HD   LYS  26          1HD       LYS  26  -8.321   3.490   6.297
  171   2HD   LYS  26          2HD       LYS  26  -7.419   4.846   6.171
  172   1HE   LYS  26          1HE       LYS  26  -7.921   2.914   4.112
  173   2HE   LYS  26          2HE       LYS  26  -8.321   4.497   4.097
  174   1HZ   LYS  26          1HZ       LYS  26  -5.650   3.461   3.911
  175   2HZ   LYS  26          2HZ       LYS  26  -6.480   4.002   2.648
  176   3HZ   LYS  26          3HZ       LYS  26  -6.025   5.077   3.847
  177    H    TYR  27           H        TYR  27  -5.828  -1.189   4.177
  178    HA   TYR  27           HA       TYR  27  -3.928   0.329   2.442
  179   1HB   TYR  27          1HB       TYR  27  -3.350  -1.853   4.310
  180   2HB   TYR  27          2HB       TYR  27  -2.441  -1.678   2.964
  181    HD1  TYR  27           HD1      TYR  27  -3.066  -0.484   6.277
  182    HD2  TYR  27           HD2      TYR  27  -1.103   0.390   2.532
  183    HE1  TYR  27           HE1      TYR  27  -1.698   1.286   7.392
  184    HE2  TYR  27           HE2      TYR  27   0.256   2.136   3.645
  185    HH   TYR  27           HH       TYR  27   0.930   2.940   5.733
  186    H    CYS  28           H        CYS  28  -5.446  -2.882   3.018
  187    HA   CYS  28           HA       CYS  28  -5.717  -3.211   0.063
  188   1HB   CYS  28          1HB       CYS  28  -5.855  -4.997   2.284
  189   2HB   CYS  28          2HB       CYS  28  -7.135  -5.160   1.282
  190    H    GLY  29           H        GLY  29  -7.583  -2.410   2.994
  191   1HA   GLY  29          1HA       GLY  29  -9.790  -1.236   1.392
  192   2HA   GLY  29          2HA       GLY  29  -9.470  -0.977   3.110
  193    H    ARG  30           H        ARG  30  -7.915  -0.483  -0.033
  194    HA   ARG  30           HA       ARG  30  -5.792   0.968   0.661
  195   1HB   ARG  30          1HB       ARG  30  -6.010   1.867  -1.738
  196   2HB   ARG  30          2HB       ARG  30  -5.665   0.302  -1.423
  197   1HG   ARG  30          1HG       ARG  30  -7.102   0.312  -3.198
  198   2HG   ARG  30          2HG       ARG  30  -7.953  -0.234  -1.915
  199   1HD   ARG  30          1HD       ARG  30  -9.397   1.152  -2.991
  200   2HD   ARG  30          2HD       ARG  30  -8.857   2.046  -1.735
  201    HE   ARG  30           HE       ARG  30  -7.858   2.335  -4.447
  202   1HH1  ARG  30          1HH1      ARG  30  -8.677   4.001  -1.432
  203   2HH1  ARG  30          2HH1      ARG  30  -8.426   5.550  -2.166
  204   1HH2  ARG  30          1HH2      ARG  30  -7.583   4.392  -5.239
  205   2HH2  ARG  30          2HH2      ARG  30  -7.838   5.760  -4.208
  Start of MODEL    7
    1   1H    VAL   1          1H        VAL   1  10.472   6.722   2.748
    2   2H    VAL   1          2H        VAL   1  10.134   6.106   1.256
    3   3H    VAL   1          3H        VAL   1  11.708   6.339   1.702
    4    HA   VAL   1           HA       VAL   1  11.020   4.033   1.731
    5    HB   VAL   1           HB       VAL   1  12.818   4.752   3.203
    6   1HG1  VAL   1          1HG1      VAL   1  10.753   5.051   5.428
    7   2HG1  VAL   1          2HG1      VAL   1  12.512   5.161   5.585
    8   3HG1  VAL   1          3HG1      VAL   1  11.642   6.388   4.659
    9   1HG2  VAL   1          1HG2      VAL   1  11.043   2.674   4.545
   10   2HG2  VAL   1          2HG2      VAL   1  12.101   2.384   3.143
   11   3HG2  VAL   1          3HG2      VAL   1  12.798   2.845   4.703
   12    H    GLY   2           H        GLY   2   9.430   2.589   2.021
   13   1HA   GLY   2          1HA       GLY   2   7.581   1.612   3.126
   14   2HA   GLY   2          2HA       GLY   2   7.140   3.160   3.824
   15    H    GLU   3           H        GLU   3   7.724   4.076   0.695
   16    HA   GLU   3           HA       GLU   3   5.028   4.179  -0.120
   17   1HB   GLU   3          1HB       GLU   3   7.252   4.049  -2.026
   18   2HB   GLU   3          2HB       GLU   3   5.802   4.777  -2.219
   19   1HG   GLU   3          1HG       GLU   3   7.019   6.590  -1.868
   20   2HG   GLU   3          2HG       GLU   3   6.702   6.234  -0.306
   21    H    CYS   4           H        CYS   4   3.949   3.097  -1.879
   22    HA   CYS   4           HA       CYS   4   4.320   0.248  -2.346
   23   1HB   CYS   4          1HB       CYS   4   3.082   2.252  -4.116
   24   2HB   CYS   4          2HB       CYS   4   2.779   0.648  -4.067
   25    H    VAL   5           H        VAL   5   5.489  -0.725  -3.964
   26    HA   VAL   5           HA       VAL   5   8.077  -0.287  -3.945
   27    HB   VAL   5           HB       VAL   5   6.650  -1.486  -6.335
   28   1HG1  VAL   5          1HG1      VAL   5   9.605  -1.638  -5.575
   29   2HG1  VAL   5          2HG1      VAL   5   8.812  -2.668  -6.785
   30   3HG1  VAL   5          3HG1      VAL   5   8.941  -0.930  -7.060
   31   1HG2  VAL   5          1HG2      VAL   5   8.028  -2.760  -3.922
   32   2HG2  VAL   5          2HG2      VAL   5   6.276  -2.623  -4.133
   33   3HG2  VAL   5          3HG2      VAL   5   7.214  -3.625  -5.243
   34    H    ARG   6           H        ARG   6   6.759   0.527  -7.106
   35    HA   ARG   6           HA       ARG   6   7.044   3.358  -6.414
   36   1HB   ARG   6          1HB       ARG   6   7.681   2.344  -9.119
   37   2HB   ARG   6          2HB       ARG   6   7.277   3.899  -8.821
   38   1HG   ARG   6          1HG       ARG   6   9.661   2.622  -7.853
   39   2HG   ARG   6          2HG       ARG   6   9.606   3.652  -9.119
   40   1HD   ARG   6          1HD       ARG   6  10.350   5.029  -7.504
   41   2HD   ARG   6          2HD       ARG   6   8.743   5.290  -7.384
   42    HE   ARG   6           HE       ARG   6   9.393   3.137  -5.783
   43   1HH1  ARG   6          1HH1      ARG   6   9.694   6.658  -5.306
   44   2HH1  ARG   6          2HH1      ARG   6   9.719   6.394  -3.595
   45   1HH2  ARG   6          1HH2      ARG   6   9.447   3.010  -3.737
   46   2HH2  ARG   6          2HH2      ARG   6   9.584   4.426  -2.749
   47    H    GLY   7           H        GLY   7   5.067   1.199  -6.203
   48   1HA   GLY   7          1HA       GLY   7   2.654   2.304  -6.473
   49   2HA   GLY   7          2HA       GLY   7   2.892   1.803  -8.141
   50    H    ARG   8           H        ARG   8   4.335  -0.718  -7.277
   51    HA   ARG   8           HA       ARG   8   2.039  -2.442  -6.594
   52   1HB   ARG   8          1HB       ARG   8   4.852  -3.021  -7.355
   53   2HB   ARG   8          2HB       ARG   8   3.707  -4.160  -7.110
   54   1HG   ARG   8          1HG       ARG   8   2.430  -3.113  -8.921
   55   2HG   ARG   8          2HG       ARG   8   3.757  -2.217  -9.243
   56   1HD   ARG   8          1HD       ARG   8   4.987  -4.192  -9.723
   57   2HD   ARG   8          2HD       ARG   8   3.678  -5.102  -9.370
   58    HE   ARG   8           HE       ARG   8   3.040  -3.268 -11.386
   59   1HH1  ARG   8          1HH1      ARG   8   4.685  -6.358 -11.007
   60   2HH1  ARG   8          2HH1      ARG   8   4.416  -6.796 -12.661
   61   1HH2  ARG   8          1HH2      ARG   8   2.731  -3.915 -13.498
   62   2HH2  ARG   8          2HH2      ARG   8   3.335  -5.445 -14.038
   63    H    CYS   9           H        CYS   9   2.836  -4.398  -5.126
   64    HA   CYS   9           HA       CYS   9   4.319  -3.390  -2.757
   65   1HB   CYS   9          1HB       CYS   9   1.587  -4.345  -2.847
   66   2HB   CYS   9          2HB       CYS   9   2.496  -4.858  -1.591
   67    HA   PRO  10           HA       PRO  10   6.070  -7.547  -3.134
   68   1HB   PRO  10          1HB       PRO  10   7.697  -7.489  -1.059
   69   2HB   PRO  10          2HB       PRO  10   7.995  -6.490  -2.317
   70   1HG   PRO  10          1HG       PRO  10   6.718  -5.800   0.194
   71   2HG   PRO  10          2HG       PRO  10   7.879  -4.953  -0.582
   72   1HD   PRO  10          1HD       PRO  10   5.316  -4.359  -0.853
   73   2HD   PRO  10          2HD       PRO  10   6.402  -4.030  -2.028
   74    H    SER  11           H        SER  11   6.419  -9.434  -1.579
   75    HA   SER  11           HA       SER  11   5.331 -11.157  -0.495
   76   1HB   SER  11          1HB       SER  11   5.946  -9.154   1.593
   77   2HB   SER  11          2HB       SER  11   5.838 -10.766   1.831
   78    HG   SER  11           HG       SER  11   7.980 -10.186   1.569
   79    H    GLY  12           H        GLY  12   3.243 -10.107  -1.622
   80   1HA   GLY  12          1HA       GLY  12   0.923 -10.224  -1.570
   81   2HA   GLY  12          2HA       GLY  12   1.070 -11.004   0.002
   82    H    MET  13           H        MET  13   2.448  -7.795   0.004
   83    HA   MET  13           HA       MET  13   0.335  -6.786   1.745
   84   1HB   MET  13          1HB       MET  13   2.763  -5.548   0.582
   85   2HB   MET  13          2HB       MET  13   1.799  -4.820   1.681
   86   1HG   MET  13          1HG       MET  13   3.243  -7.258   2.178
   87   2HG   MET  13          2HG       MET  13   3.742  -5.786   2.680
   88   1HE   MET  13          1HE       MET  13   4.157  -6.913   5.082
   89   2HE   MET  13          2HE       MET  13   2.847  -7.727   5.969
   90   3HE   MET  13          3HE       MET  13   3.472  -8.436   4.462
   91    H    CYS  14           H        CYS  14  -0.410  -4.455   1.330
   92    HA   CYS  14           HA       CYS  14  -1.685  -4.255  -1.363
   93   1HB   CYS  14          1HB       CYS  14  -2.727  -3.676   1.340
   94   2HB   CYS  14          2HB       CYS  14  -3.527  -3.365  -0.050
   95    H    CYS  15           H        CYS  15  -1.692  -2.266  -2.318
   96    HA   CYS  15           HA       CYS  15  -0.096  -0.101  -1.129
   97   1HB   CYS  15          1HB       CYS  15   0.187  -0.745  -3.449
   98   2HB   CYS  15          2HB       CYS  15  -1.357  -0.336  -3.794
   99    H    SER  16           H        SER  16  -1.010   1.436   0.057
  100    HA   SER  16           HA       SER  16  -3.898   1.936   0.142
  101   1HB   SER  16          1HB       SER  16  -3.267   3.583   1.772
  102   2HB   SER  16          2HB       SER  16  -2.513   2.175   2.112
  103    HG   SER  16           HG       SER  16  -1.096   3.942   2.373
  104    H    GLN  17           H        GLN  17  -4.920   3.949  -0.265
  105    HA   GLN  17           HA       GLN  17  -4.232   5.547  -2.493
  106   1HB   GLN  17          1HB       GLN  17  -5.998   6.921  -1.706
  107   2HB   GLN  17          2HB       GLN  17  -6.430   5.365  -1.463
  108   1HG   GLN  17          1HG       GLN  17  -5.764   5.669   0.875
  109   2HG   GLN  17          2HG       GLN  17  -5.663   7.268   0.555
  110   1HE2  GLN  17          1HE2      GLN  17  -8.198   4.703  -0.137
  111   2HE2  GLN  17          2HE2      GLN  17  -9.411   5.810   0.533
  112    H    TRP  18           H        TRP  18  -2.728   5.622   0.621
  113    HA   TRP  18           HA       TRP  18  -1.812   8.385   0.531
  114   1HB   TRP  18          1HB       TRP  18  -0.574   6.169   1.998
  115   2HB   TRP  18          2HB       TRP  18  -0.658   7.747   2.413
  116    HD1  TRP  18           HD1      TRP  18  -1.505   4.880   3.908
  117    HE1  TRP  18           HE1      TRP  18  -3.660   4.950   5.295
  118    HE3  TRP  18           HE3      TRP  18  -3.659   9.056   1.855
  119    HZ2  TRP  18           HZ2      TRP  18  -5.982   6.652   5.546
  120    HZ3  TRP  18           HZ3      TRP  18  -5.876   9.833   2.649
  121    HH2  TRP  18           HH2      TRP  18  -7.040   8.655   4.489
  122    H    GLY  19           H        GLY  19  -1.067   5.599  -1.294
  123   1HA   GLY  19          1HA       GLY  19   0.656   5.184  -2.804
  124   2HA   GLY  19          2HA       GLY  19   1.511   6.636  -2.267
  125    H    TYR  20           H        TYR  20   0.522   4.679   0.350
  126    HA   TYR  20           HA       TYR  20   3.275   3.578   0.706
  127   1HB   TYR  20          1HB       TYR  20   1.429   4.869   2.498
  128   2HB   TYR  20          2HB       TYR  20   2.183   3.560   3.119
  129    HD1  TYR  20           HD1      TYR  20   4.124   3.895   4.353
  130    HD2  TYR  20           HD2      TYR  20   3.096   6.530   1.087
  131    HE1  TYR  20           HE1      TYR  20   6.252   5.131   4.676
  132    HE2  TYR  20           HE2      TYR  20   5.260   7.732   1.393
  133    HH   TYR  20           HH       TYR  20   7.209   7.805   2.465
  134    H    CYS  21           H        CYS  21   3.627   1.547   1.472
  135    HA   CYS  21           HA       CYS  21   1.526  -0.384   0.642
  136   1HB   CYS  21          1HB       CYS  21   3.811  -0.371  -0.280
  137   2HB   CYS  21          2HB       CYS  21   4.398  -0.799   1.183
  138    H    GLY  22           H        GLY  22   0.720  -2.017   2.003
  139   1HA   GLY  22          1HA       GLY  22   1.850  -2.863   4.474
  140   2HA   GLY  22          2HA       GLY  22   0.704  -1.554   4.801
  141    H    LYS  23           H        LYS  23  -0.479  -3.251   6.018
  142    HA   LYS  23           HA       LYS  23  -2.393  -4.665   4.292
  143   1HB   LYS  23          1HB       LYS  23  -0.488  -5.965   5.640
  144   2HB   LYS  23          2HB       LYS  23  -1.597  -5.883   6.836
  145   1HG   LYS  23          1HG       LYS  23  -1.953  -7.903   5.776
  146   2HG   LYS  23          2HG       LYS  23  -3.180  -6.930   5.310
  147   1HD   LYS  23          1HD       LYS  23  -1.960  -6.472   3.263
  148   2HD   LYS  23          2HD       LYS  23  -0.857  -7.587   3.719
  149   1HE   LYS  23          1HE       LYS  23  -2.389  -9.306   3.588
  150   2HE   LYS  23          2HE       LYS  23  -3.652  -8.271   3.555
  151   1HZ   LYS  23          1HZ       LYS  23  -3.037  -7.606   1.368
  152   2HZ   LYS  23          2HZ       LYS  23  -1.787  -8.668   1.392
  153   3HZ   LYS  23          3HZ       LYS  23  -3.324  -9.224   1.426
  154    H    GLY  24           H        GLY  24  -4.390  -5.235   5.397
  155   1HA   GLY  24          1HA       GLY  24  -6.015  -4.923   7.103
  156   2HA   GLY  24          2HA       GLY  24  -5.149  -3.503   7.689
  157    HA   PRO  25           HA       PRO  25  -8.899  -2.622   4.998
  158   1HB   PRO  25          1HB       PRO  25 -10.473  -1.419   6.792
  159   2HB   PRO  25          2HB       PRO  25 -10.351  -3.047   6.725
  160   1HG   PRO  25          1HG       PRO  25  -8.968  -1.273   8.556
  161   2HG   PRO  25          2HG       PRO  25  -9.748  -2.657   8.933
  162   1HD   PRO  25          1HD       PRO  25  -7.166  -2.688   8.591
  163   2HD   PRO  25          2HD       PRO  25  -8.061  -3.971   8.121
  164    H    LYS  26           H        LYS  26  -6.450  -0.702   5.984
  165    HA   LYS  26           HA       LYS  26  -7.580   1.553   4.436
  166   1HB   LYS  26          1HB       LYS  26  -7.340   2.095   6.849
  167   2HB   LYS  26          2HB       LYS  26  -5.719   2.041   6.655
  168   1HG   LYS  26          1HG       LYS  26  -6.479   4.271   6.612
  169   2HG   LYS  26          2HG       LYS  26  -5.810   3.869   5.177
  170   1HD   LYS  26          1HD       LYS  26  -8.516   3.448   5.024
  171   2HD   LYS  26          2HD       LYS  26  -8.256   4.962   5.578
  172   1HE   LYS  26          1HE       LYS  26  -8.482   5.003   3.225
  173   2HE   LYS  26          2HE       LYS  26  -6.966   5.450   3.636
  174   1HZ   LYS  26          1HZ       LYS  26  -7.704   2.826   2.652
  175   2HZ   LYS  26          2HZ       LYS  26  -6.872   3.896   1.792
  176   3HZ   LYS  26          3HZ       LYS  26  -6.190   3.251   3.121
  177    H    TYR  27           H        TYR  27  -5.725  -0.922   4.171
  178    HA   TYR  27           HA       TYR  27  -3.755   0.355   2.330
  179   1HB   TYR  27          1HB       TYR  27  -3.422  -1.796   4.306
  180   2HB   TYR  27          2HB       TYR  27  -2.472  -1.747   2.978
  181    HD1  TYR  27           HD1      TYR  27  -3.049  -0.409   6.241
  182    HD2  TYR  27           HD2      TYR  27  -0.934   0.176   2.527
  183    HE1  TYR  27           HE1      TYR  27  -1.574   1.250   7.349
  184    HE2  TYR  27           HE2      TYR  27   0.559   1.832   3.655
  185    HH   TYR  27           HH       TYR  27   0.235   2.666   7.092
  186    H    CYS  28           H        CYS  28  -5.376  -2.777   3.130
  187    HA   CYS  28           HA       CYS  28  -5.667  -3.506   0.299
  188   1HB   CYS  28          1HB       CYS  28  -6.789  -4.650   2.780
  189   2HB   CYS  28          2HB       CYS  28  -6.834  -5.346   1.303
  190    H    GLY  29           H        GLY  29  -7.643  -2.093   2.895
  191   1HA   GLY  29          1HA       GLY  29  -9.795  -1.265   1.031
  192   2HA   GLY  29          2HA       GLY  29  -9.562  -0.717   2.695
  193    H    ARG  30           H        ARG  30  -8.047  -0.656  -0.471
  194    HA   ARG  30           HA       ARG  30  -5.936   0.956  -0.285
  195   1HB   ARG  30          1HB       ARG  30  -6.581  -0.152  -2.268
  196   2HB   ARG  30          2HB       ARG  30  -7.828   0.868  -2.538
  197   1HG   ARG  30          1HG       ARG  30  -5.213   1.976  -2.471
  198   2HG   ARG  30          2HG       ARG  30  -5.639   1.128  -3.801
  199   1HD   ARG  30          1HD       ARG  30  -6.984   3.507  -2.894
  200   2HD   ARG  30          2HD       ARG  30  -5.922   3.461  -4.134
  201    HE   ARG  30           HE       ARG  30  -7.452   2.404  -5.508
  202   1HH1  ARG  30          1HH1      ARG  30  -8.954   3.183  -2.390
  203   2HH1  ARG  30          2HH1      ARG  30 -10.544   3.085  -3.071
  204   1HH2  ARG  30          1HH2      ARG  30  -9.525   2.327  -6.250
  205   2HH2  ARG  30          2HH2      ARG  30 -10.856   2.617  -5.180
  Start of MODEL    8
    1   1H    VAL   1          1H        VAL   1  11.605   7.441   1.312
    2   2H    VAL   1          2H        VAL   1  10.285   7.925   2.198
    3   3H    VAL   1          3H        VAL   1  10.072   7.066   0.811
    4    HA   VAL   1           HA       VAL   1  11.068   5.130   1.716
    5    HB   VAL   1           HB       VAL   1  11.299   6.811   4.245
    6   1HG1  VAL   1          1HG1      VAL   1  10.500   4.570   4.860
    7   2HG1  VAL   1          2HG1      VAL   1  11.732   3.813   3.819
    8   3HG1  VAL   1          3HG1      VAL   1  12.209   4.719   5.272
    9   1HG2  VAL   1          1HG2      VAL   1  13.702   6.173   4.073
   10   2HG2  VAL   1          2HG2      VAL   1  13.375   5.372   2.524
   11   3HG2  VAL   1          3HG2      VAL   1  13.186   7.137   2.690
   12    H    GLY   2           H        GLY   2   9.415   3.771   1.822
   13   1HA   GLY   2          1HA       GLY   2   7.631   2.756   3.017
   14   2HA   GLY   2          2HA       GLY   2   7.066   4.327   3.557
   15    H    GLU   3           H        GLU   3   7.671   5.011   0.399
   16    HA   GLU   3           HA       GLU   3   5.007   4.870  -0.504
   17   1HB   GLU   3          1HB       GLU   3   7.264   4.710  -2.360
   18   2HB   GLU   3          2HB       GLU   3   5.794   5.381  -2.602
   19   1HG   GLU   3          1HG       GLU   3   6.994   7.233  -2.398
   20   2HG   GLU   3          2HG       GLU   3   6.621   7.010  -0.823
   21    H    CYS   4           H        CYS   4   4.010   3.553  -2.122
   22    HA   CYS   4           HA       CYS   4   4.484   0.709  -2.239
   23   1HB   CYS   4          1HB       CYS   4   3.239   2.447  -4.280
   24   2HB   CYS   4          2HB       CYS   4   2.973   0.852  -4.054
   25    H    VAL   5           H        VAL   5   5.811  -0.449  -3.564
   26    HA   VAL   5           HA       VAL   5   8.329  -0.054  -3.656
   27    HB   VAL   5           HB       VAL   5   6.975  -1.330  -6.047
   28   1HG1  VAL   5          1HG1      VAL   5   9.873  -1.563  -5.107
   29   2HG1  VAL   5          2HG1      VAL   5   9.105  -2.614  -6.312
   30   3HG1  VAL   5          3HG1      VAL   5   9.329  -0.904  -6.663
   31   1HG2  VAL   5          1HG2      VAL   5   7.386  -3.427  -4.841
   32   2HG2  VAL   5          2HG2      VAL   5   8.180  -2.543  -3.517
   33   3HG2  VAL   5          3HG2      VAL   5   6.449  -2.341  -3.814
   34    H    ARG   6           H        ARG   6   7.301   0.510  -6.966
   35    HA   ARG   6           HA       ARG   6   7.549   3.415  -6.586
   36   1HB   ARG   6          1HB       ARG   6   8.444   2.036  -9.046
   37   2HB   ARG   6          2HB       ARG   6   8.054   3.622  -9.005
   38   1HG   ARG   6          1HG       ARG   6  10.289   2.457  -7.626
   39   2HG   ARG   6          2HG       ARG   6  10.393   3.308  -9.016
   40   1HD   ARG   6          1HD       ARG   6  11.006   4.875  -7.515
   41   2HD   ARG   6          2HD       ARG   6   9.406   5.182  -7.625
   42    HE   ARG   6           HE       ARG   6   9.779   3.254  -5.679
   43   1HH1  ARG   6          1HH1      ARG   6  10.150   6.799  -5.684
   44   2HH1  ARG   6          2HH1      ARG   6   9.960   6.795  -3.962
   45   1HH2  ARG   6          1HH2      ARG   6   9.576   3.432  -3.643
   46   2HH2  ARG   6          2HH2      ARG   6   9.649   4.976  -2.861
   47    H    GLY   7           H        GLY   7   5.515   1.509  -6.173
   48   1HA   GLY   7          1HA       GLY   7   3.187   2.517  -6.761
   49   2HA   GLY   7          2HA       GLY   7   3.495   1.870  -8.367
   50    H    ARG   8           H        ARG   8   4.824  -0.542  -6.637
   51    HA   ARG   8           HA       ARG   8   2.339  -2.105  -6.221
   52   1HB   ARG   8          1HB       ARG   8   5.130  -2.933  -6.766
   53   2HB   ARG   8          2HB       ARG   8   3.805  -3.887  -6.812
   54   1HG   ARG   8          1HG       ARG   8   4.239  -1.757  -8.694
   55   2HG   ARG   8          2HG       ARG   8   4.697  -3.297  -8.989
   56   1HD   ARG   8          1HD       ARG   8   2.696  -3.039 -10.096
   57   2HD   ARG   8          2HD       ARG   8   2.333  -3.915  -8.767
   58    HE   ARG   8           HE       ARG   8   1.989  -1.261  -8.087
   59   1HH1  ARG   8          1HH1      ARG   8   0.233  -3.521 -10.139
   60   2HH1  ARG   8          2HH1      ARG   8  -1.237  -2.634  -9.916
   61   1HH2  ARG   8          1HH2      ARG   8   0.186  -0.243  -7.843
   62   2HH2  ARG   8          2HH2      ARG   8  -1.264  -0.784  -8.619
   63    H    CYS   9           H        CYS   9   2.984  -4.137  -4.819
   64    HA   CYS   9           HA       CYS   9   4.560  -3.486  -2.436
   65   1HB   CYS   9          1HB       CYS   9   1.650  -3.898  -2.428
   66   2HB   CYS   9          2HB       CYS   9   2.537  -4.388  -1.147
   67    HA   PRO  10           HA       PRO  10   5.405  -7.826  -2.877
   68   1HB   PRO  10          1HB       PRO  10   6.108  -8.542  -0.407
   69   2HB   PRO  10          2HB       PRO  10   7.043  -7.530  -1.283
   70   1HG   PRO  10          1HG       PRO  10   5.152  -6.801   0.789
   71   2HG   PRO  10          2HG       PRO  10   6.671  -6.231   0.601
   72   1HD   PRO  10          1HD       PRO  10   4.638  -4.862  -0.304
   73   2HD   PRO  10          2HD       PRO  10   6.066  -4.832  -1.096
   74    H    SER  11           H        SER  11   4.837 -10.013  -2.215
   75    HA   SER  11           HA       SER  11   2.152 -10.593  -2.228
   76   1HB   SER  11          1HB       SER  11   4.357 -12.346  -1.331
   77   2HB   SER  11          2HB       SER  11   2.904 -12.840  -1.890
   78    HG   SER  11           HG       SER  11   4.415 -12.942  -3.532
   79    H    GLY  12           H        GLY  12   0.981  -9.590  -0.632
   80   1HA   GLY  12          1HA       GLY  12  -0.220 -10.548   1.455
   81   2HA   GLY  12          2HA       GLY  12   1.364 -10.418   2.222
   82    H    MET  13           H        MET  13   1.525  -7.796   0.287
   83    HA   MET  13           HA       MET  13   0.001  -5.963   2.043
   84   1HB   MET  13          1HB       MET  13   2.696  -5.770   0.852
   85   2HB   MET  13          2HB       MET  13   1.897  -4.464   1.422
   86   1HG   MET  13          1HG       MET  13   3.361  -5.040   3.057
   87   2HG   MET  13          2HG       MET  13   1.896  -5.530   3.589
   88   1HE   MET  13          1HE       MET  13   4.336  -8.046   5.288
   89   2HE   MET  13          2HE       MET  13   4.647  -6.331   4.942
   90   3HE   MET  13          3HE       MET  13   3.064  -6.839   5.579
   91    H    CYS  14           H        CYS  14  -0.314  -3.872   1.053
   92    HA   CYS  14           HA       CYS  14  -0.935  -3.909  -1.856
   93   1HB   CYS  14          1HB       CYS  14  -2.883  -3.424   0.306
   94   2HB   CYS  14          2HB       CYS  14  -3.158  -3.095  -1.270
   95    H    CYS  15           H        CYS  15  -1.439  -1.809  -2.693
   96    HA   CYS  15           HA       CYS  15   0.092   0.321  -1.401
   97   1HB   CYS  15          1HB       CYS  15   0.195  -0.219  -3.806
   98   2HB   CYS  15          2HB       CYS  15  -1.334   0.325  -3.993
   99    H    SER  16           H        SER  16  -0.802   1.779  -0.056
  100    HA   SER  16           HA       SER  16  -3.699   2.043   0.241
  101   1HB   SER  16          1HB       SER  16  -3.127   3.734   1.846
  102   2HB   SER  16          2HB       SER  16  -2.227   2.399   2.122
  103    HG   SER  16           HG       SER  16  -0.971   4.286   2.324
  104    H    GLN  17           H        GLN  17  -4.776   4.045   0.211
  105    HA   GLN  17           HA       GLN  17  -4.753   5.560  -2.178
  106   1HB   GLN  17          1HB       GLN  17  -5.887   6.553   0.350
  107   2HB   GLN  17          2HB       GLN  17  -6.424   6.810  -1.170
  108   1HG   GLN  17          1HG       GLN  17  -7.980   5.412  -0.282
  109   2HG   GLN  17          2HG       GLN  17  -7.047   4.416  -1.179
  110   1HE2  GLN  17          1HE2      GLN  17  -6.605   2.397  -0.168
  111   2HE2  GLN  17          2HE2      GLN  17  -6.273   2.367   1.577
  112    H    TRP  18           H        TRP  18  -2.681   5.917   0.581
  113    HA   TRP  18           HA       TRP  18  -1.954   8.723   0.102
  114   1HB   TRP  18          1HB       TRP  18  -0.837   6.595   1.822
  115   2HB   TRP  18          2HB       TRP  18  -0.336   8.149   1.821
  116    HD1  TRP  18           HD1      TRP  18  -2.641   9.889   2.305
  117    HE1  TRP  18           HE1      TRP  18  -3.957   9.819   4.504
  118    HE3  TRP  18           HE3      TRP  18  -1.528   5.106   3.763
  119    HZ2  TRP  18           HZ2      TRP  18  -4.330   7.990   6.707
  120    HZ3  TRP  18           HZ3      TRP  18  -2.339   4.239   5.939
  121    HH2  TRP  18           HH2      TRP  18  -3.707   5.679   7.435
  122    H    GLY  19           H        GLY  19  -1.242   5.779  -1.492
  123   1HA   GLY  19          1HA       GLY  19   0.424   5.251  -3.024
  124   2HA   GLY  19          2HA       GLY  19   1.213   6.805  -2.735
  125    H    TYR  20           H        TYR  20   0.521   5.084   0.141
  126    HA   TYR  20           HA       TYR  20   3.345   4.153   0.428
  127   1HB   TYR  20          1HB       TYR  20   1.481   5.408   2.238
  128   2HB   TYR  20          2HB       TYR  20   2.365   4.195   2.882
  129    HD1  TYR  20           HD1      TYR  20   3.072   7.015   0.567
  130    HD2  TYR  20           HD2      TYR  20   4.176   4.889   4.165
  131    HE1  TYR  20           HE1      TYR  20   5.097   8.445   0.802
  132    HE2  TYR  20           HE2      TYR  20   6.162   6.356   4.414
  133    HH   TYR  20           HH       TYR  20   7.426   7.903   3.510
  134    H    CYS  21           H        CYS  21   3.827   2.169   1.283
  135    HA   CYS  21           HA       CYS  21   1.851   0.099   0.556
  136   1HB   CYS  21          1HB       CYS  21   4.281   0.145  -0.051
  137   2HB   CYS  21          2HB       CYS  21   4.623  -0.273   1.490
  138    H    GLY  22           H        GLY  22   1.304  -1.707   1.936
  139   1HA   GLY  22          1HA       GLY  22   2.064  -2.288   4.533
  140   2HA   GLY  22          2HA       GLY  22   0.808  -1.053   4.713
  141    H    LYS  23           H        LYS  23  -0.233  -3.079   5.882
  142    HA   LYS  23           HA       LYS  23  -2.136  -4.183   3.977
  143   1HB   LYS  23          1HB       LYS  23  -1.815  -6.378   4.599
  144   2HB   LYS  23          2HB       LYS  23  -0.383  -5.799   4.069
  145   1HG   LYS  23          1HG       LYS  23   0.456  -6.817   5.798
  146   2HG   LYS  23          2HG       LYS  23  -0.101  -5.539   6.650
  147   1HD   LYS  23          1HD       LYS  23  -0.904  -7.267   7.836
  148   2HD   LYS  23          2HD       LYS  23  -2.182  -6.882   6.895
  149   1HE   LYS  23          1HE       LYS  23  -0.378  -9.068   6.363
  150   2HE   LYS  23          2HE       LYS  23  -1.865  -9.242   7.017
  151   1HZ   LYS  23          1HZ       LYS  23  -2.764  -8.293   4.951
  152   2HZ   LYS  23          2HZ       LYS  23  -1.255  -8.500   4.295
  153   3HZ   LYS  23          3HZ       LYS  23  -2.159  -9.779   4.803
  154    H    GLY  24           H        GLY  24  -3.769  -5.628   5.360
  155   1HA   GLY  24          1HA       GLY  24  -5.426  -5.486   6.993
  156   2HA   GLY  24          2HA       GLY  24  -4.664  -4.053   7.704
  157    HA   PRO  25           HA       PRO  25  -8.263  -3.354   4.839
  158   1HB   PRO  25          1HB       PRO  25 -10.103  -2.288   6.512
  159   2HB   PRO  25          2HB       PRO  25  -9.864  -3.900   6.398
  160   1HG   PRO  25          1HG       PRO  25  -8.786  -2.115   8.410
  161   2HG   PRO  25          2HG       PRO  25  -9.469  -3.578   8.657
  162   1HD   PRO  25          1HD       PRO  25  -6.874  -3.375   8.556
  163   2HD   PRO  25          2HD       PRO  25  -7.604  -4.703   7.948
  164    H    LYS  26           H        LYS  26  -6.133  -1.218   5.961
  165    HA   LYS  26           HA       LYS  26  -7.506   1.192   4.839
  166   1HB   LYS  26          1HB       LYS  26  -6.316   1.433   6.962
  167   2HB   LYS  26          2HB       LYS  26  -4.910   1.008   6.248
  168   1HG   LYS  26          1HG       LYS  26  -5.051   3.359   6.569
  169   2HG   LYS  26          2HG       LYS  26  -4.908   2.982   4.987
  170   1HD   LYS  26          1HD       LYS  26  -7.158   3.428   4.606
  171   2HD   LYS  26          2HD       LYS  26  -7.451   3.574   6.206
  172   1HE   LYS  26          1HE       LYS  26  -7.400   5.719   5.246
  173   2HE   LYS  26          2HE       LYS  26  -6.119   5.560   6.247
  174   1HZ   LYS  26          1HZ       LYS  26  -5.518   6.588   4.181
  175   2HZ   LYS  26          2HZ       LYS  26  -4.694   5.199   4.442
  176   3HZ   LYS  26          3HZ       LYS  26  -5.987   5.210   3.398
  177    H    TYR  27           H        TYR  27  -5.699  -1.415   4.017
  178    HA   TYR  27           HA       TYR  27  -4.319  -0.227   1.652
  179   1HB   TYR  27          1HB       TYR  27  -3.514  -2.314   3.597
  180   2HB   TYR  27          2HB       TYR  27  -2.673  -1.955   2.243
  181    HD1  TYR  27           HD1      TYR  27  -3.397  -0.991   5.636
  182    HD2  TYR  27           HD2      TYR  27  -1.260   0.021   2.030
  183    HE1  TYR  27           HE1      TYR  27  -2.013   0.647   6.910
  184    HE2  TYR  27           HE2      TYR  27   0.111   1.656   3.307
  185    HH   TYR  27           HH       TYR  27   0.711   2.344   5.413
  186    H    CYS  28           H        CYS  28  -5.605  -3.223   3.081
  187    HA   CYS  28           HA       CYS  28  -5.576  -4.582   0.430
  188   1HB   CYS  28          1HB       CYS  28  -3.817  -4.586   2.516
  189   2HB   CYS  28          2HB       CYS  28  -4.677  -5.945   2.800
  190    H    GLY  29           H        GLY  29  -7.692  -3.942   2.880
  191   1HA   GLY  29          1HA       GLY  29  -9.516  -5.042   3.860
  192   2HA   GLY  29          2HA       GLY  29  -9.259  -6.421   2.785
  193    H    ARG  30           H        ARG  30  -7.004  -7.491   3.257
  194    HA   ARG  30           HA       ARG  30  -6.395  -7.745   6.161
  195   1HB   ARG  30          1HB       ARG  30  -8.098  -9.386   5.548
  196   2HB   ARG  30          2HB       ARG  30  -7.091 -10.052   4.448
  197   1HG   ARG  30          1HG       ARG  30  -6.144  -9.988   7.103
  198   2HG   ARG  30          2HG       ARG  30  -7.383 -11.012   6.814
  199   1HD   ARG  30          1HD       ARG  30  -4.803 -11.161   5.550
  200   2HD   ARG  30          2HD       ARG  30  -5.322 -12.156   6.737
  201    HE   ARG  30           HE       ARG  30  -6.708 -13.298   5.287
  202   1HH1  ARG  30          1HH1      ARG  30  -4.920 -10.811   3.509
  203   2HH1  ARG  30          2HH1      ARG  30  -5.219 -11.597   1.995
  204   1HH2  ARG  30          1HH2      ARG  30  -7.008 -14.208   3.303
  205   2HH2  ARG  30          2HH2      ARG  30  -6.362 -13.456   1.882
  Start of MODEL    9
    1   1H    VAL   1          1H        VAL   1  10.770   4.244   2.259
    2   2H    VAL   1          2H        VAL   1  11.582   5.230   3.325
    3   3H    VAL   1          3H        VAL   1   9.936   5.219   3.242
    4    HA   VAL   1           HA       VAL   1  11.712   3.159   4.326
    5    HB   VAL   1           HB       VAL   1   9.247   4.446   5.547
    6   1HG1  VAL   1          1HG1      VAL   1  10.077   3.393   7.642
    7   2HG1  VAL   1          2HG1      VAL   1   9.666   2.178   6.432
    8   3HG1  VAL   1          3HG1      VAL   1  11.368   2.590   6.727
    9   1HG2  VAL   1          1HG2      VAL   1  12.213   4.955   6.076
   10   2HG2  VAL   1          2HG2      VAL   1  11.040   6.123   5.410
   11   3HG2  VAL   1          3HG2      VAL   1  10.878   5.563   7.069
   12    H    GLY   2           H        GLY   2   8.284   3.605   3.391
   13   1HA   GLY   2          1HA       GLY   2   8.129   0.710   2.689
   14   2HA   GLY   2          2HA       GLY   2   6.998   1.371   3.873
   15    H    GLU   3           H        GLU   3   8.166   3.107   1.018
   16    HA   GLU   3           HA       GLU   3   5.415   3.638   0.140
   17   1HB   GLU   3          1HB       GLU   3   6.625   4.743  -1.752
   18   2HB   GLU   3          2HB       GLU   3   6.680   5.436  -0.275
   19   1HG   GLU   3          1HG       GLU   3   8.883   3.989  -1.419
   20   2HG   GLU   3          2HG       GLU   3   8.744   5.616  -1.471
   21    H    CYS   4           H        CYS   4   4.503   3.112  -1.856
   22    HA   CYS   4           HA       CYS   4   4.840   0.399  -2.675
   23   1HB   CYS   4          1HB       CYS   4   3.595   2.534  -4.273
   24   2HB   CYS   4          2HB       CYS   4   3.263   0.935  -4.319
   25    H    VAL   5           H        VAL   5   5.637  -0.535  -4.537
   26    HA   VAL   5           HA       VAL   5   8.277   0.041  -5.194
   27    HB   VAL   5           HB       VAL   5   6.233  -1.523  -6.813
   28   1HG1  VAL   5          1HG1      VAL   5   9.271  -1.471  -7.069
   29   2HG1  VAL   5          2HG1      VAL   5   8.199  -2.659  -7.843
   30   3HG1  VAL   5          3HG1      VAL   5   8.101  -0.957  -8.302
   31   1HG2  VAL   5          1HG2      VAL   5   8.376  -2.402  -4.826
   32   2HG2  VAL   5          2HG2      VAL   5   6.626  -2.402  -4.534
   33   3HG2  VAL   5          3HG2      VAL   5   7.314  -3.485  -5.750
   34    H    ARG   6           H        ARG   6   5.841   0.287  -7.724
   35    HA   ARG   6           HA       ARG   6   5.856   3.184  -7.452
   36   1HB   ARG   6          1HB       ARG   6   6.241   1.986 -10.126
   37   2HB   ARG   6          2HB       ARG   6   5.674   3.501  -9.903
   38   1HG   ARG   6          1HG       ARG   6   8.308   2.646  -9.134
   39   2HG   ARG   6          2HG       ARG   6   7.978   3.465 -10.508
   40   1HD   ARG   6          1HD       ARG   6   8.826   5.037  -9.074
   41   2HD   ARG   6          2HD       ARG   6   7.216   5.307  -9.081
   42    HE   ARG   6           HE       ARG   6   8.077   3.561  -7.015
   43   1HH1  ARG   6          1HH1      ARG   6   7.710   7.009  -7.583
   44   2HH1  ARG   6          2HH1      ARG   6   7.375   7.320  -5.913
   45   1HH2  ARG   6          1HH2      ARG   6   7.482   4.009  -4.949
   46   2HH2  ARG   6          2HH2      ARG   6   7.247   5.649  -4.445
   47    H    GLY   7           H        GLY   7   4.206   0.802  -6.756
   48   1HA   GLY   7          1HA       GLY   7   1.718   1.816  -6.666
   49   2HA   GLY   7          2HA       GLY   7   1.700   1.171  -8.304
   50    H    ARG   8           H        ARG   8   3.520  -1.170  -7.264
   51    HA   ARG   8           HA       ARG   8   1.489  -2.711  -5.760
   52   1HB   ARG   8          1HB       ARG   8   2.740  -4.596  -6.525
   53   2HB   ARG   8          2HB       ARG   8   2.262  -3.705  -7.807
   54   1HG   ARG   8          1HG       ARG   8   4.433  -2.956  -8.179
   55   2HG   ARG   8          2HG       ARG   8   4.952  -3.626  -6.783
   56   1HD   ARG   8          1HD       ARG   8   5.650  -4.972  -8.581
   57   2HD   ARG   8          2HD       ARG   8   4.554  -5.798  -7.695
   58    HE   ARG   8           HE       ARG   8   4.104  -4.661 -10.316
   59   1HH1  ARG   8          1HH1      ARG   8   2.907  -6.879  -7.845
   60   2HH1  ARG   8          2HH1      ARG   8   1.703  -7.526  -8.909
   61   1HH2  ARG   8          1HH2      ARG   8   2.519  -5.539 -11.593
   62   2HH2  ARG   8          2HH2      ARG   8   1.490  -6.787 -10.974
   63    H    CYS   9           H        CYS   9   2.651  -4.342  -4.240
   64    HA   CYS   9           HA       CYS   9   4.857  -3.077  -2.719
   65   1HB   CYS   9          1HB       CYS   9   2.156  -3.756  -1.766
   66   2HB   CYS   9          2HB       CYS   9   3.421  -3.655  -0.738
   67    HA   PRO  10           HA       PRO  10   6.131  -7.333  -2.488
   68   1HB   PRO  10          1HB       PRO  10   7.877  -7.251  -0.493
   69   2HB   PRO  10          2HB       PRO  10   8.169  -6.411  -1.863
   70   1HG   PRO  10          1HG       PRO  10   7.114  -5.365   0.629
   71   2HG   PRO  10          2HG       PRO  10   8.297  -4.710  -0.287
   72   1HD   PRO  10          1HD       PRO  10   5.821  -3.867  -0.502
   73   2HD   PRO  10          2HD       PRO  10   6.822  -3.851  -1.792
   74    H    SER  11           H        SER  11   6.372  -9.242  -0.988
   75    HA   SER  11           HA       SER  11   5.413 -10.791   0.377
   76   1HB   SER  11          1HB       SER  11   5.517 -10.151   2.707
   77   2HB   SER  11          2HB       SER  11   6.797  -9.513   1.918
   78    HG   SER  11           HG       SER  11   5.108  -7.671   1.711
   79    H    GLY  12           H        GLY  12   3.535  -9.609  -1.158
   80   1HA   GLY  12          1HA       GLY  12   1.218  -9.323  -1.489
   81   2HA   GLY  12          2HA       GLY  12   1.005 -10.450  -0.145
   82    H    MET  13           H        MET  13   2.639  -7.284   0.255
   83    HA   MET  13           HA       MET  13   0.510  -6.200   1.966
   84   1HB   MET  13          1HB       MET  13   2.968  -5.030   0.801
   85   2HB   MET  13          2HB       MET  13   1.985  -4.268   1.859
   86   1HG   MET  13          1HG       MET  13   3.228  -6.696   2.654
   87   2HG   MET  13          2HG       MET  13   4.109  -5.320   2.670
   88   1HE   MET  13          1HE       MET  13   3.719  -5.953   6.438
   89   2HE   MET  13          2HE       MET  13   4.035  -7.116   5.124
   90   3HE   MET  13          3HE       MET  13   4.864  -5.543   5.141
   91    H    CYS  14           H        CYS  14  -0.329  -4.033   1.361
   92    HA   CYS  14           HA       CYS  14  -1.226  -3.935  -1.487
   93   1HB   CYS  14          1HB       CYS  14  -2.778  -3.105   0.856
   94   2HB   CYS  14          2HB       CYS  14  -3.312  -3.436  -0.652
   95    H    CYS  15           H        CYS  15  -0.946  -2.023  -2.504
   96    HA   CYS  15           HA       CYS  15   0.339   0.223  -1.232
   97   1HB   CYS  15          1HB       CYS  15   0.661  -0.442  -3.554
   98   2HB   CYS  15          2HB       CYS  15  -0.865   0.004  -3.925
   99    H    SER  16           H        SER  16  -0.830   1.323   0.260
  100    HA   SER  16           HA       SER  16  -3.621   1.960   0.149
  101   1HB   SER  16          1HB       SER  16  -3.047   3.552   1.877
  102   2HB   SER  16          2HB       SER  16  -2.335   2.112   2.175
  103    HG   SER  16           HG       SER  16  -0.884   3.835   2.555
  104    H    GLN  17           H        GLN  17  -4.483   4.207   0.184
  105    HA   GLN  17           HA       GLN  17  -3.759   5.875  -2.094
  106   1HB   GLN  17          1HB       GLN  17  -5.642   6.103   0.155
  107   2HB   GLN  17          2HB       GLN  17  -5.335   7.422  -0.759
  108   1HG   GLN  17          1HG       GLN  17  -6.288   4.937  -1.871
  109   2HG   GLN  17          2HG       GLN  17  -7.282   6.177  -1.494
  110   1HE2  GLN  17          1HE2      GLN  17  -7.145   8.255  -2.748
  111   2HE2  GLN  17          2HE2      GLN  17  -6.388   8.116  -4.335
  112    H    TRP  18           H        TRP  18  -2.252   5.622   1.004
  113    HA   TRP  18           HA       TRP  18  -1.135   8.334   0.939
  114   1HB   TRP  18          1HB       TRP  18  -0.418   5.924   2.484
  115   2HB   TRP  18          2HB       TRP  18   0.182   7.423   2.732
  116    HD1  TRP  18           HD1      TRP  18  -2.159   9.240   3.051
  117    HE1  TRP  18           HE1      TRP  18  -3.782   9.017   5.030
  118    HE3  TRP  18           HE3      TRP  18  -1.320   4.328   4.258
  119    HZ2  TRP  18           HZ2      TRP  18  -4.500   7.031   6.981
  120    HZ3  TRP  18           HZ3      TRP  18  -2.467   3.313   6.213
  121    HH2  TRP  18           HH2      TRP  18  -4.020   4.655   7.599
  122    H    GLY  19           H        GLY  19  -0.686   5.599  -0.997
  123   1HA   GLY  19          1HA       GLY  19   1.014   5.016  -2.477
  124   2HA   GLY  19          2HA       GLY  19   1.929   6.450  -1.987
  125    H    TYR  20           H        TYR  20   0.832   4.358   0.527
  126    HA   TYR  20           HA       TYR  20   3.552   3.199   0.917
  127   1HB   TYR  20          1HB       TYR  20   1.985   4.851   2.618
  128   2HB   TYR  20          2HB       TYR  20   2.373   3.450   3.363
  129    HD1  TYR  20           HD1      TYR  20   4.350   3.326   4.622
  130    HD2  TYR  20           HD2      TYR  20   3.984   6.046   1.288
  131    HE1  TYR  20           HE1      TYR  20   6.691   4.074   4.975
  132    HE2  TYR  20           HE2      TYR  20   6.354   6.751   1.616
  133    HH   TYR  20           HH       TYR  20   8.268   6.361   2.659
  134    H    CYS  21           H        CYS  21   3.791   1.216   1.748
  135    HA   CYS  21           HA       CYS  21   1.660  -0.697   1.176
  136   1HB   CYS  21          1HB       CYS  21   4.455  -1.033   2.080
  137   2HB   CYS  21          2HB       CYS  21   3.487  -2.229   1.532
  138    H    GLY  22           H        GLY  22   0.991  -2.393   2.629
  139   1HA   GLY  22          1HA       GLY  22   1.417  -2.851   5.287
  140   2HA   GLY  22          2HA       GLY  22   0.207  -1.552   5.202
  141    H    LYS  23           H        LYS  23  -1.106  -3.597   6.114
  142    HA   LYS  23           HA       LYS  23  -2.462  -4.886   3.774
  143   1HB   LYS  23          1HB       LYS  23  -1.447  -6.120   6.258
  144   2HB   LYS  23          2HB       LYS  23  -2.643  -6.817   5.391
  145   1HG   LYS  23          1HG       LYS  23  -1.255  -7.338   3.671
  146   2HG   LYS  23          2HG       LYS  23  -0.161  -6.200   4.093
  147   1HD   LYS  23          1HD       LYS  23   0.356  -7.519   6.058
  148   2HD   LYS  23          2HD       LYS  23  -0.625  -8.689   5.479
  149   1HE   LYS  23          1HE       LYS  23   1.695  -7.797   4.034
  150   2HE   LYS  23          2HE       LYS  23   1.759  -9.047   5.083
  151   1HZ   LYS  23          1HZ       LYS  23   0.194  -8.992   2.661
  152   2HZ   LYS  23          2HZ       LYS  23   1.590  -9.819   2.878
  153   3HZ   LYS  23          3HZ       LYS  23   0.240 -10.255   3.732
  154    H    GLY  24           H        GLY  24  -4.638  -5.631   4.278
  155   1HA   GLY  24          1HA       GLY  24  -6.631  -5.694   5.479
  156   2HA   GLY  24          2HA       GLY  24  -5.883  -4.728   6.748
  157    HA   PRO  25           HA       PRO  25  -9.268  -2.586   4.459
  158   1HB   PRO  25          1HB       PRO  25 -10.621  -1.629   6.548
  159   2HB   PRO  25          2HB       PRO  25 -10.714  -3.201   6.112
  160   1HG   PRO  25          1HG       PRO  25  -9.072  -2.075   8.220
  161   2HG   PRO  25          2HG       PRO  25 -10.016  -3.404   8.316
  162   1HD   PRO  25          1HD       PRO  25  -7.472  -3.674   7.842
  163   2HD   PRO  25          2HD       PRO  25  -8.537  -4.689   7.133
  164    H    LYS  26           H        LYS  26  -6.567  -1.200   5.689
  165    HA   LYS  26           HA       LYS  26  -7.506   1.425   4.698
  166   1HB   LYS  26          1HB       LYS  26  -6.606   1.114   7.242
  167   2HB   LYS  26          2HB       LYS  26  -5.361   1.829   6.465
  168   1HG   LYS  26          1HG       LYS  26  -8.038   2.864   6.316
  169   2HG   LYS  26          2HG       LYS  26  -6.994   3.354   7.472
  170   1HD   LYS  26          1HD       LYS  26  -6.461   4.971   6.144
  171   2HD   LYS  26          2HD       LYS  26  -5.669   3.858   5.249
  172   1HE   LYS  26          1HE       LYS  26  -8.407   4.416   4.664
  173   2HE   LYS  26          2HE       LYS  26  -7.250   5.422   4.104
  174   1HZ   LYS  26          1HZ       LYS  26  -6.246   3.426   3.020
  175   2HZ   LYS  26          2HZ       LYS  26  -7.665   2.672   3.314
  176   3HZ   LYS  26          3HZ       LYS  26  -7.605   3.946   2.339
  177    H    TYR  27           H        TYR  27  -5.867  -1.102   3.836
  178    HA   TYR  27           HA       TYR  27  -3.763   0.355   2.291
  179   1HB   TYR  27          1HB       TYR  27  -3.539  -2.037   3.987
  180   2HB   TYR  27          2HB       TYR  27  -2.481  -1.769   2.772
  181    HD1  TYR  27           HD1      TYR  27  -3.341  -0.988   6.146
  182    HD2  TYR  27           HD2      TYR  27  -1.006   0.246   2.736
  183    HE1  TYR  27           HE1      TYR  27  -1.938   0.462   7.620
  184    HE2  TYR  27           HE2      TYR  27   0.365   1.710   4.198
  185    HH   TYR  27           HH       TYR  27   0.824   2.313   6.359
  186    H    CYS  28           H        CYS  28  -5.483  -2.805   2.576
  187    HA   CYS  28           HA       CYS  28  -5.629  -2.995  -0.398
  188   1HB   CYS  28          1HB       CYS  28  -6.033  -4.827   1.783
  189   2HB   CYS  28          2HB       CYS  28  -7.153  -4.943   0.599
  190    H    GLY  29           H        GLY  29  -7.633  -2.319   2.472
  191   1HA   GLY  29          1HA       GLY  29  -9.759  -1.033   0.844
  192   2HA   GLY  29          2HA       GLY  29  -9.521  -0.890   2.592
  193    H    ARG  30           H        ARG  30  -8.024  -0.067  -0.505
  194    HA   ARG  30           HA       ARG  30  -5.765   1.109   0.125
  195   1HB   ARG  30          1HB       ARG  30  -7.576   1.918  -2.044
  196   2HB   ARG  30          2HB       ARG  30  -6.029   2.434  -1.949
  197   1HG   ARG  30          1HG       ARG  30  -5.391   0.047  -1.943
  198   2HG   ARG  30          2HG       ARG  30  -6.927  -0.262  -2.404
  199   1HD   ARG  30          1HD       ARG  30  -5.529  -0.216  -4.313
  200   2HD   ARG  30          2HD       ARG  30  -6.580   1.032  -4.386
  201    HE   ARG  30           HE       ARG  30  -3.821   1.318  -3.489
  202   1HH1  ARG  30          1HH1      ARG  30  -6.552   2.854  -5.106
  203   2HH1  ARG  30          2HH1      ARG  30  -5.788   4.407  -5.043
  204   1HH2  ARG  30          1HH2      ARG  30  -2.990   3.372  -3.400
  205   2HH2  ARG  30          2HH2      ARG  30  -3.857   4.688  -4.117
  Start of MODEL   10
    1   1H    VAL   1          1H        VAL   1   9.748   6.125   1.673
    2   2H    VAL   1          2H        VAL   1  10.980   6.780   2.562
    3   3H    VAL   1          3H        VAL   1   9.417   6.821   3.130
    4    HA   VAL   1           HA       VAL   1  10.958   4.365   2.640
    5    HB   VAL   1           HB       VAL   1  10.240   5.699   5.286
    6   1HG1  VAL   1          1HG1      VAL   1  11.502   3.803   6.305
    7   2HG1  VAL   1          2HG1      VAL   1  10.036   3.255   5.495
    8   3HG1  VAL   1          3HG1      VAL   1  11.621   3.030   4.711
    9   1HG2  VAL   1          1HG2      VAL   1  12.711   5.747   5.607
   10   2HG2  VAL   1          2HG2      VAL   1  12.934   5.147   3.955
   11   3HG2  VAL   1          3HG2      VAL   1  12.210   6.750   4.249
   12    H    GLY   2           H        GLY   2   9.622   2.708   2.173
   13   1HA   GLY   2          1HA       GLY   2   7.889   1.210   2.630
   14   2HA   GLY   2          2HA       GLY   2   7.092   2.401   3.648
   15    H    GLU   3           H        GLU   3   7.885   3.826   0.601
   16    HA   GLU   3           HA       GLU   3   5.222   4.102  -0.248
   17   1HB   GLU   3          1HB       GLU   3   7.545   4.033  -2.056
   18   2HB   GLU   3          2HB       GLU   3   6.112   4.768  -2.325
   19   1HG   GLU   3          1HG       GLU   3   7.281   6.563  -1.780
   20   2HG   GLU   3          2HG       GLU   3   6.848   6.120  -0.269
   21    H    CYS   4           H        CYS   4   4.059   3.196  -2.060
   22    HA   CYS   4           HA       CYS   4   4.407   0.367  -2.646
   23   1HB   CYS   4          1HB       CYS   4   2.838   2.309  -4.203
   24   2HB   CYS   4          2HB       CYS   4   2.660   0.685  -4.174
   25    H    VAL   5           H        VAL   5   6.181  -0.216  -3.629
   26    HA   VAL   5           HA       VAL   5   8.449   0.606  -4.140
   27    HB   VAL   5           HB       VAL   5   7.127  -0.766  -6.515
   28   1HG1  VAL   5          1HG1      VAL   5   9.373   0.091  -7.168
   29   2HG1  VAL   5          2HG1      VAL   5  10.072  -0.625  -5.704
   30   3HG1  VAL   5          3HG1      VAL   5   9.400  -1.657  -6.984
   31   1HG2  VAL   5          1HG2      VAL   5   8.599  -1.893  -4.092
   32   2HG2  VAL   5          2HG2      VAL   5   6.862  -2.025  -4.410
   33   3HG2  VAL   5          3HG2      VAL   5   8.003  -2.833  -5.481
   34    H    ARG   6           H        ARG   6   7.306   1.007  -7.402
   35    HA   ARG   6           HA       ARG   6   6.468   3.724  -6.886
   36   1HB   ARG   6          1HB       ARG   6   8.317   3.200  -9.134
   37   2HB   ARG   6          2HB       ARG   6   7.354   4.518  -9.054
   38   1HG   ARG   6          1HG       ARG   6   9.454   3.934  -7.162
   39   2HG   ARG   6          2HG       ARG   6   9.584   5.026  -8.369
   40   1HD   ARG   6          1HD       ARG   6   7.887   6.348  -7.372
   41   2HD   ARG   6          2HD       ARG   6   7.720   5.246  -6.178
   42    HE   ARG   6           HE       ARG   6   9.846   7.158  -6.461
   43   1HH1  ARG   6          1HH1      ARG   6   8.690   4.459  -4.497
   44   2HH1  ARG   6          2HH1      ARG   6   9.402   5.112  -3.059
   45   1HH2  ARG   6          1HH2      ARG   6  10.606   7.936  -4.404
   46   2HH2  ARG   6          2HH2      ARG   6  10.403   6.930  -3.009
   47    H    GLY   7           H        GLY   7   5.106   1.574  -6.751
   48   1HA   GLY   7          1HA       GLY   7   2.806   2.198  -7.872
   49   2HA   GLY   7          2HA       GLY   7   3.404   1.181  -9.166
   50    H    ARG   8           H        ARG   8   4.615  -0.696  -6.770
   51    HA   ARG   8           HA       ARG   8   2.034  -1.920  -6.028
   52   1HB   ARG   8          1HB       ARG   8   2.964  -4.004  -6.633
   53   2HB   ARG   8          2HB       ARG   8   3.085  -3.021  -7.931
   54   1HG   ARG   8          1HG       ARG   8   5.343  -2.978  -7.842
   55   2HG   ARG   8          2HG       ARG   8   5.379  -3.388  -6.262
   56   1HD   ARG   8          1HD       ARG   8   4.570  -5.250  -8.312
   57   2HD   ARG   8          2HD       ARG   8   6.111  -5.163  -7.777
   58    HE   ARG   8           HE       ARG   8   4.506  -5.544  -5.538
   59   1HH1  ARG   8          1HH1      ARG   8   5.576  -7.529  -8.256
   60   2HH1  ARG   8          2HH1      ARG   8   5.361  -8.979  -7.333
   61   1HH2  ARG   8          1HH2      ARG   8   4.253  -7.366  -4.486
   62   2HH2  ARG   8          2HH2      ARG   8   4.622  -8.887  -5.227
   63    H    CYS   9           H        CYS   9   2.487  -3.808  -4.419
   64    HA   CYS   9           HA       CYS   9   4.521  -2.943  -2.421
   65   1HB   CYS   9          1HB       CYS   9   1.711  -3.735  -2.044
   66   2HB   CYS   9          2HB       CYS   9   2.789  -3.857  -0.823
   67    HA   PRO  10           HA       PRO  10   6.260  -6.981  -2.307
   68   1HB   PRO  10          1HB       PRO  10   5.482  -7.237   0.518
   69   2HB   PRO  10          2HB       PRO  10   6.935  -7.512  -0.174
   70   1HG   PRO  10          1HG       PRO  10   6.546  -5.291   1.121
   71   2HG   PRO  10          2HG       PRO  10   7.463  -5.276  -0.230
   72   1HD   PRO  10          1HD       PRO  10   4.747  -4.410   0.054
   73   2HD   PRO  10          2HD       PRO  10   5.896  -3.786  -0.925
   74    H    SER  11           H        SER  11   5.737  -9.173  -2.408
   75    HA   SER  11           HA       SER  11   3.008  -9.766  -3.106
   76   1HB   SER  11          1HB       SER  11   5.370 -11.531  -2.925
   77   2HB   SER  11          2HB       SER  11   3.943 -11.946  -3.602
   78    HG   SER  11           HG       SER  11   5.425 -11.305  -5.138
   79    H    GLY  12           H        GLY  12   2.084  -9.229  -1.091
   80   1HA   GLY  12          1HA       GLY  12   0.907 -11.114   0.523
   81   2HA   GLY  12          2HA       GLY  12   2.482 -10.898   1.289
   82    H    MET  13           H        MET  13   2.346  -7.891   0.329
   83    HA   MET  13           HA       MET  13   0.784  -6.796   2.590
   84   1HB   MET  13          1HB       MET  13   2.754  -5.709   0.666
   85   2HB   MET  13          2HB       MET  13   1.936  -4.753   1.707
   86   1HG   MET  13          1HG       MET  13   3.654  -6.910   2.535
   87   2HG   MET  13          2HG       MET  13   4.115  -5.344   2.518
   88   1HE   MET  13          1HE       MET  13   4.560  -7.160   5.027
   89   2HE   MET  13          2HE       MET  13   5.016  -5.438   4.993
   90   3HE   MET  13          3HE       MET  13   4.030  -6.073   6.330
   91    H    CYS  14           H        CYS  14  -0.102  -4.396   1.679
   92    HA   CYS  14           HA       CYS  14  -1.096  -4.497  -1.045
   93   1HB   CYS  14          1HB       CYS  14  -3.320  -3.674  -0.129
   94   2HB   CYS  14          2HB       CYS  14  -3.035  -5.276  -0.259
   95    H    CYS  15           H        CYS  15  -1.938  -2.338  -1.706
   96    HA   CYS  15           HA       CYS  15  -0.058  -0.272  -0.717
   97   1HB   CYS  15          1HB       CYS  15   0.124  -0.967  -3.004
   98   2HB   CYS  15          2HB       CYS  15  -1.441  -0.612  -3.307
   99    H    SER  16           H        SER  16  -0.843   1.300   0.528
  100    HA   SER  16           HA       SER  16  -3.665   1.930   0.755
  101   1HB   SER  16          1HB       SER  16  -1.805   2.309   2.453
  102   2HB   SER  16          2HB       SER  16  -1.428   3.660   1.617
  103    HG   SER  16           HG       SER  16  -3.258   3.405   3.454
  104    H    GLN  17           H        GLN  17  -4.761   3.689   0.051
  105    HA   GLN  17           HA       GLN  17  -4.195   4.847  -2.473
  106   1HB   GLN  17          1HB       GLN  17  -6.161   6.076  -2.082
  107   2HB   GLN  17          2HB       GLN  17  -6.389   4.551  -1.544
  108   1HG   GLN  17          1HG       GLN  17  -6.052   6.864   0.131
  109   2HG   GLN  17          2HG       GLN  17  -7.462   6.079  -0.122
  110   1HE2  GLN  17          1HE2      GLN  17  -7.018   3.410   0.370
  111   2HE2  GLN  17          2HE2      GLN  17  -6.227   3.238   1.942
  112    H    TRP  18           H        TRP  18  -2.763   5.749   0.488
  113    HA   TRP  18           HA       TRP  18  -2.038   8.464  -0.446
  114   1HB   TRP  18          1HB       TRP  18  -1.380   6.920   1.976
  115   2HB   TRP  18          2HB       TRP  18  -0.853   8.437   1.675
  116    HD1  TRP  18           HD1      TRP  18  -4.165   8.790   0.612
  117    HE1  TRP  18           HE1      TRP  18  -5.764   9.551   2.463
  118    HE3  TRP  18           HE3      TRP  18  -1.170   7.927   4.674
  119    HZ2  TRP  18           HZ2      TRP  18  -5.797   9.656   5.347
  120    HZ3  TRP  18           HZ3      TRP  18  -2.032   8.328   6.968
  121    HH2  TRP  18           HH2      TRP  18  -4.334   9.188   7.317
  122    H    GLY  19           H        GLY  19  -0.974   5.355  -1.214
  123   1HA   GLY  19          1HA       GLY  19   0.747   4.986  -2.734
  124   2HA   GLY  19          2HA       GLY  19   1.562   6.462  -2.232
  125    H    TYR  20           H        TYR  20   0.625   4.201   0.284
  126    HA   TYR  20           HA       TYR  20   3.452   3.251   0.546
  127   1HB   TYR  20          1HB       TYR  20   1.762   4.446   2.641
  128   2HB   TYR  20          2HB       TYR  20   3.112   3.588   2.968
  129    HD1  TYR  20           HD1      TYR  20   5.302   4.559   2.963
  130    HD2  TYR  20           HD2      TYR  20   1.888   6.631   1.328
  131    HE1  TYR  20           HE1      TYR  20   6.680   6.600   2.631
  132    HE2  TYR  20           HE2      TYR  20   3.258   8.648   0.983
  133    HH   TYR  20           HH       TYR  20   5.301   9.588   1.184
  134    H    CYS  21           H        CYS  21   3.818   1.320   1.670
  135    HA   CYS  21           HA       CYS  21   1.659  -0.627   1.217
  136   1HB   CYS  21          1HB       CYS  21   4.515  -0.949   1.894
  137   2HB   CYS  21          2HB       CYS  21   3.501  -2.188   1.569
  138    H    GLY  22           H        GLY  22   1.013  -2.254   2.617
  139   1HA   GLY  22          1HA       GLY  22   1.829  -2.818   5.243
  140   2HA   GLY  22          2HA       GLY  22   0.586  -1.558   5.353
  141    H    LYS  23           H        LYS  23  -0.666  -3.291   6.492
  142    HA   LYS  23           HA       LYS  23  -2.378  -4.687   4.577
  143   1HB   LYS  23          1HB       LYS  23  -0.645  -6.094   6.054
  144   2HB   LYS  23          2HB       LYS  23  -1.871  -6.023   7.131
  145   1HG   LYS  23          1HG       LYS  23  -2.243  -7.963   5.948
  146   2HG   LYS  23          2HG       LYS  23  -3.317  -6.895   5.337
  147   1HD   LYS  23          1HD       LYS  23  -1.624  -6.428   3.586
  148   2HD   LYS  23          2HD       LYS  23  -0.865  -7.779   4.103
  149   1HE   LYS  23          1HE       LYS  23  -2.872  -9.037   3.675
  150   2HE   LYS  23          2HE       LYS  23  -3.574  -7.683   3.090
  151   1HZ   LYS  23          1HZ       LYS  23  -1.992  -7.647   1.292
  152   2HZ   LYS  23          2HZ       LYS  23  -1.279  -8.956   1.949
  153   3HZ   LYS  23          3HZ       LYS  23  -2.803  -9.082   1.330
  154    H    GLY  24           H        GLY  24  -4.474  -5.240   5.457
  155   1HA   GLY  24          1HA       GLY  24  -6.333  -4.841   6.905
  156   2HA   GLY  24          2HA       GLY  24  -5.482  -3.471   7.632
  157    HA   PRO  25           HA       PRO  25  -8.598  -2.415   4.255
  158   1HB   PRO  25          1HB       PRO  25 -10.350  -0.959   5.662
  159   2HB   PRO  25          2HB       PRO  25 -10.419  -2.590   5.611
  160   1HG   PRO  25          1HG       PRO  25  -9.263  -0.960   7.708
  161   2HG   PRO  25          2HG       PRO  25 -10.246  -2.250   7.895
  162   1HD   PRO  25          1HD       PRO  25  -7.672  -2.563   8.121
  163   2HD   PRO  25          2HD       PRO  25  -8.569  -3.746   7.441
  164    H    LYS  26           H        LYS  26  -6.304  -0.624   5.808
  165    HA   LYS  26           HA       LYS  26  -7.000   2.039   4.679
  166   1HB   LYS  26          1HB       LYS  26  -6.022   1.927   6.879
  167   2HB   LYS  26          2HB       LYS  26  -4.745   1.062   6.340
  168   1HG   LYS  26          1HG       LYS  26  -4.049   3.250   6.728
  169   2HG   LYS  26          2HG       LYS  26  -4.001   2.973   5.119
  170   1HD   LYS  26          1HD       LYS  26  -6.000   4.183   4.815
  171   2HD   LYS  26          2HD       LYS  26  -6.155   4.382   6.429
  172   1HE   LYS  26          1HE       LYS  26  -5.279   6.375   5.720
  173   2HE   LYS  26          2HE       LYS  26  -3.988   5.578   6.323
  174   1HZ   LYS  26          1HZ       LYS  26  -3.435   4.901   4.049
  175   2HZ   LYS  26          2HZ       LYS  26  -4.669   5.808   3.535
  176   3HZ   LYS  26          3HZ       LYS  26  -3.396   6.543   4.284
  177    H    TYR  27           H        TYR  27  -5.476  -0.870   3.984
  178    HA   TYR  27           HA       TYR  27  -3.677   0.109   1.834
  179   1HB   TYR  27          1HB       TYR  27  -3.525  -2.149   3.732
  180   2HB   TYR  27          2HB       TYR  27  -2.455  -1.892   2.525
  181    HD1  TYR  27           HD1      TYR  27  -3.411  -1.007   5.864
  182    HD2  TYR  27           HD2      TYR  27  -0.869   0.003   2.539
  183    HE1  TYR  27           HE1      TYR  27  -2.033   0.443   7.356
  184    HE2  TYR  27           HE2      TYR  27   0.469   1.492   4.011
  185    HH   TYR  27           HH       TYR  27   0.899   2.069   6.195
  186    H    CYS  28           H        CYS  28  -5.800  -2.584   2.861
  187    HA   CYS  28           HA       CYS  28  -5.937  -3.664   0.102
  188   1HB   CYS  28          1HB       CYS  28  -6.636  -4.592   2.792
  189   2HB   CYS  28          2HB       CYS  28  -7.233  -5.357   1.479
  190    H    GLY  29           H        GLY  29  -7.783  -1.448   1.950
  191   1HA   GLY  29          1HA       GLY  29  -9.887  -0.545   1.629
  192   2HA   GLY  29          2HA       GLY  29 -10.102  -1.562   0.197
  193    H    ARG  30           H        ARG  30 -12.359  -1.509   1.265
  194    HA   ARG  30           HA       ARG  30 -12.852  -4.073   2.472
  195   1HB   ARG  30          1HB       ARG  30 -12.634  -2.635   4.437
  196   2HB   ARG  30          2HB       ARG  30 -13.745  -1.593   3.846
  197   1HG   ARG  30          1HG       ARG  30 -14.579  -4.290   4.191
  198   2HG   ARG  30          2HG       ARG  30 -14.402  -3.396   5.547
  199   1HD   ARG  30          1HD       ARG  30 -16.059  -1.917   4.886
  200   2HD   ARG  30          2HD       ARG  30 -16.095  -2.540   3.377
  201    HE   ARG  30           HE       ARG  30 -17.431  -3.544   5.674
  202   1HH1  ARG  30          1HH1      ARG  30 -16.457  -4.438   2.381
  203   2HH1  ARG  30          2HH1      ARG  30 -17.656  -5.685   2.302
  204   1HH2  ARG  30          1HH2      ARG  30 -18.920  -5.167   5.440
  205   2HH2  ARG  30          2HH2      ARG  30 -19.002  -6.083   3.973
  Start of MODEL   11
    1   1H    VAL   1          1H        VAL   1   8.992   8.730  -0.274
    2   2H    VAL   1          2H        VAL   1  10.225   9.771   0.096
    3   3H    VAL   1          3H        VAL   1   8.931   9.599   1.124
    4    HA   VAL   1           HA       VAL   1  10.812   7.461   0.426
    5    HB   VAL   1           HB       VAL   1  11.570   7.569   2.782
    6   1HG1  VAL   1          1HG1      VAL   1  12.069  10.135   1.208
    7   2HG1  VAL   1          2HG1      VAL   1  13.115   9.408   2.435
    8   3HG1  VAL   1          3HG1      VAL   1  12.852   8.564   0.905
    9   1HG2  VAL   1          1HG2      VAL   1   9.732   8.838   3.855
   10   2HG2  VAL   1          2HG2      VAL   1  11.284   9.635   4.093
   11   3HG2  VAL   1          3HG2      VAL   1  10.146  10.278   2.900
   12    H    GLY   2           H        GLY   2  10.058   5.452   0.783
   13   1HA   GLY   2          1HA       GLY   2   8.961   3.758   1.951
   14   2HA   GLY   2          2HA       GLY   2   8.016   4.937   2.843
   15    H    GLU   3           H        GLU   3   7.710   5.796  -0.438
   16    HA   GLU   3           HA       GLU   3   5.034   4.883  -0.631
   17   1HB   GLU   3          1HB       GLU   3   6.709   5.394  -2.994
   18   2HB   GLU   3          2HB       GLU   3   5.096   5.600  -2.841
   19   1HG   GLU   3          1HG       GLU   3   5.710   7.726  -2.789
   20   2HG   GLU   3          2HG       GLU   3   5.845   7.408  -1.192
   21    H    CYS   4           H        CYS   4   4.105   3.438  -2.255
   22    HA   CYS   4           HA       CYS   4   5.164   0.793  -2.570
   23   1HB   CYS   4          1HB       CYS   4   3.331   2.179  -4.416
   24   2HB   CYS   4          2HB       CYS   4   3.424   0.574  -4.127
   25    H    VAL   5           H        VAL   5   6.586  -0.022  -3.999
   26    HA   VAL   5           HA       VAL   5   8.872   1.035  -4.412
   27    HB   VAL   5           HB       VAL   5   7.670  -0.733  -6.561
   28   1HG1  VAL   5          1HG1      VAL   5  10.602  -0.078  -6.000
   29   2HG1  VAL   5          2HG1      VAL   5  10.035  -1.385  -7.057
   30   3HG1  VAL   5          3HG1      VAL   5   9.719   0.291  -7.495
   31   1HG2  VAL   5          1HG2      VAL   5   9.438  -1.359  -4.148
   32   2HG2  VAL   5          2HG2      VAL   5   7.706  -1.704  -4.261
   33   3HG2  VAL   5          3HG2      VAL   5   8.831  -2.531  -5.339
   34    H    ARG   6           H        ARG   6   7.323   1.080  -7.567
   35    HA   ARG   6           HA       ARG   6   6.822   3.961  -7.292
   36   1HB   ARG   6          1HB       ARG   6   7.749   2.740  -9.823
   37   2HB   ARG   6          2HB       ARG   6   6.939   4.157  -9.762
   38   1HG   ARG   6          1HG       ARG   6   9.561   3.732  -8.670
   39   2HG   ARG   6          2HG       ARG   6   9.254   4.494 -10.082
   40   1HD   ARG   6          1HD       ARG   6   9.581   6.257  -8.712
   41   2HD   ARG   6          2HD       ARG   6   7.957   6.105  -8.616
   42    HE   ARG   6           HE       ARG   6   9.104   4.473  -6.695
   43   1HH1  ARG   6          1HH1      ARG   6   8.408   7.967  -6.816
   44   2HH1  ARG   6          2HH1      ARG   6   8.415   8.002  -5.085
   45   1HH2  ARG   6          1HH2      ARG   6   9.077   4.695  -4.654
   46   2HH2  ARG   6          2HH2      ARG   6   8.774   6.233  -3.918
   47    H    GLY   7           H        GLY   7   5.457   1.555  -6.594
   48   1HA   GLY   7          1HA       GLY   7   2.880   1.927  -6.937
   49   2HA   GLY   7          2HA       GLY   7   3.189   1.256  -8.532
   50    H    ARG   8           H        ARG   8   5.256  -0.652  -6.789
   51    HA   ARG   8           HA       ARG   8   3.193  -2.623  -6.036
   52   1HB   ARG   8          1HB       ARG   8   6.035  -3.118  -6.567
   53   2HB   ARG   8          2HB       ARG   8   4.775  -4.147  -6.717
   54   1HG   ARG   8          1HG       ARG   8   5.468  -2.050  -8.546
   55   2HG   ARG   8          2HG       ARG   8   5.594  -3.653  -8.830
   56   1HD   ARG   8          1HD       ARG   8   3.177  -2.111  -8.750
   57   2HD   ARG   8          2HD       ARG   8   3.786  -2.910 -10.038
   58    HE   ARG   8           HE       ARG   8   3.186  -4.996  -9.018
   59   1HH1  ARG   8          1HH1      ARG   8   1.497  -2.156  -7.709
   60   2HH1  ARG   8          2HH1      ARG   8   0.086  -3.092  -7.348
   61   1HH2  ARG   8          1HH2      ARG   8   1.318  -6.065  -8.545
   62   2HH2  ARG   8          2HH2      ARG   8  -0.012  -5.236  -7.806
   63    H    CYS   9           H        CYS   9   4.007  -4.258  -4.350
   64    HA   CYS   9           HA       CYS   9   5.646  -3.215  -2.202
   65   1HB   CYS   9          1HB       CYS   9   2.708  -3.472  -1.994
   66   2HB   CYS   9          2HB       CYS   9   3.674  -3.484  -0.677
   67    HA   PRO  10           HA       PRO  10   6.378  -7.455  -1.288
   68   1HB   PRO  10          1HB       PRO  10   5.352  -7.123   1.455
   69   2HB   PRO  10          2HB       PRO  10   6.771  -7.766   0.964
   70   1HG   PRO  10          1HG       PRO  10   6.774  -5.343   1.848
   71   2HG   PRO  10          2HG       PRO  10   7.692  -5.686   0.542
   72   1HD   PRO  10          1HD       PRO  10   5.093  -4.447   0.583
   73   2HD   PRO  10          2HD       PRO  10   6.363  -4.055  -0.367
   74    H    SER  11           H        SER  11   5.686  -9.537  -0.083
   75    HA   SER  11           HA       SER  11   3.825 -10.911  -1.370
   76   1HB   SER  11          1HB       SER  11   4.597 -11.383   1.439
   77   2HB   SER  11          2HB       SER  11   4.080 -12.506   0.372
   78    HG   SER  11           HG       SER  11   6.304 -12.569   0.466
   79    H    GLY  12           H        GLY  12   1.766 -10.392  -1.720
   80   1HA   GLY  12          1HA       GLY  12  -0.500 -10.164  -1.367
   81   2HA   GLY  12          2HA       GLY  12  -0.262 -10.859   0.237
   82    H    MET  13           H        MET  13   1.358  -7.864  -0.797
   83    HA   MET  13           HA       MET  13   0.460  -6.123   1.171
   84   1HB   MET  13          1HB       MET  13   1.151  -4.453  -0.425
   85   2HB   MET  13          2HB       MET  13   2.234  -5.674  -0.354
   86   1HG   MET  13          1HG       MET  13   2.150  -5.524  -2.555
   87   2HG   MET  13          2HG       MET  13   0.845  -6.490  -2.371
   88   1HE   MET  13          1HE       MET  13  -0.359  -4.437  -5.365
   89   2HE   MET  13          2HE       MET  13   1.270  -5.090  -5.056
   90   3HE   MET  13          3HE       MET  13  -0.171  -6.066  -4.681
   91    H    CYS  14           H        CYS  14  -0.744  -4.203   0.972
   92    HA   CYS  14           HA       CYS  14  -2.672  -3.946  -1.256
   93   1HB   CYS  14          1HB       CYS  14  -3.362  -3.676   1.586
   94   2HB   CYS  14          2HB       CYS  14  -4.212  -2.923   0.412
   95    H    CYS  15           H        CYS  15  -1.023  -2.560  -2.111
   96    HA   CYS  15           HA       CYS  15   0.160  -0.301  -0.929
   97   1HB   CYS  15          1HB       CYS  15   0.714  -1.029  -3.110
   98   2HB   CYS  15          2HB       CYS  15  -0.786  -0.745  -3.691
   99    H    SER  16           H        SER  16  -0.758   1.331   0.152
  100    HA   SER  16           HA       SER  16  -3.590   1.806   0.248
  101   1HB   SER  16          1HB       SER  16  -2.303   2.404   2.095
  102   2HB   SER  16          2HB       SER  16  -1.268   3.329   1.235
  103    HG   SER  16           HG       SER  16  -2.703   4.615   2.440
  104    H    GLN  17           H        GLN  17  -4.754   3.696  -0.325
  105    HA   GLN  17           HA       GLN  17  -4.286   4.555  -3.060
  106   1HB   GLN  17          1HB       GLN  17  -6.471   4.314  -1.783
  107   2HB   GLN  17          2HB       GLN  17  -6.170   5.788  -1.149
  108   1HG   GLN  17          1HG       GLN  17  -7.620   5.967  -3.024
  109   2HG   GLN  17          2HG       GLN  17  -6.215   6.746  -3.316
  110   1HE2  GLN  17          1HE2      GLN  17  -5.392   6.460  -5.391
  111   2HE2  GLN  17          2HE2      GLN  17  -5.647   4.931  -6.241
  112    H    TRP  18           H        TRP  18  -3.238   5.734   0.012
  113    HA   TRP  18           HA       TRP  18  -2.473   8.391  -0.950
  114   1HB   TRP  18          1HB       TRP  18  -1.966   7.153   1.676
  115   2HB   TRP  18          2HB       TRP  18  -2.057   8.743   1.316
  116    HD1  TRP  18           HD1      TRP  18  -3.990   6.087   2.741
  117    HE1  TRP  18           HE1      TRP  18  -6.495   6.227   2.367
  118    HE3  TRP  18           HE3      TRP  18  -4.119  10.209  -0.293
  119    HZ2  TRP  18           HZ2      TRP  18  -8.377   8.109   1.214
  120    HZ3  TRP  18           HZ3      TRP  18  -6.296  11.142  -1.036
  121    HH2  TRP  18           HH2      TRP  18  -8.427  10.104  -0.295
  122    H    GLY  19           H        GLY  19  -1.235   5.414  -1.492
  123   1HA   GLY  19          1HA       GLY  19   0.540   5.237  -2.962
  124   2HA   GLY  19          2HA       GLY  19   1.305   6.666  -2.276
  125    H    TYR  20           H        TYR  20   0.465   4.439   0.190
  126    HA   TYR  20           HA       TYR  20   3.356   3.688   0.414
  127   1HB   TYR  20          1HB       TYR  20   1.373   4.620   2.337
  128   2HB   TYR  20          2HB       TYR  20   2.583   3.659   2.869
  129    HD1  TYR  20           HD1      TYR  20   1.993   6.790   0.986
  130    HD2  TYR  20           HD2      TYR  20   4.686   4.505   3.476
  131    HE1  TYR  20           HE1      TYR  20   3.623   8.670   0.961
  132    HE2  TYR  20           HE2      TYR  20   6.268   6.404   3.500
  133    HH   TYR  20           HH       TYR  20   6.785   8.390   2.694
  134    H    CYS  21           H        CYS  21   4.024   1.772   1.363
  135    HA   CYS  21           HA       CYS  21   2.337  -0.536   0.778
  136   1HB   CYS  21          1HB       CYS  21   5.067  -0.290   1.886
  137   2HB   CYS  21          2HB       CYS  21   4.343  -1.725   1.596
  138    H    GLY  22           H        GLY  22   1.692  -2.193   2.137
  139   1HA   GLY  22          1HA       GLY  22   2.010  -2.801   4.704
  140   2HA   GLY  22          2HA       GLY  22   0.844  -1.472   4.780
  141    H    LYS  23           H        LYS  23  -0.328  -3.490   5.643
  142    HA   LYS  23           HA       LYS  23  -2.028  -4.745   3.547
  143   1HB   LYS  23          1HB       LYS  23  -0.497  -6.045   5.742
  144   2HB   LYS  23          2HB       LYS  23  -1.713  -6.793   4.951
  145   1HG   LYS  23          1HG       LYS  23  -0.504  -7.012   3.050
  146   2HG   LYS  23          2HG       LYS  23   0.528  -5.816   3.465
  147   1HD   LYS  23          1HD       LYS  23   1.765  -7.712   3.695
  148   2HD   LYS  23          2HD       LYS  23   1.342  -7.327   5.225
  149   1HE   LYS  23          1HE       LYS  23   1.026  -9.588   5.089
  150   2HE   LYS  23          2HE       LYS  23  -0.478  -8.958   4.990
  151   1HZ   LYS  23          1HZ       LYS  23   1.079  -9.850   2.718
  152   2HZ   LYS  23          2HZ       LYS  23  -0.200 -10.654   3.370
  153   3HZ   LYS  23          3HZ       LYS  23  -0.424  -9.206   2.620
  154    H    GLY  24           H        GLY  24  -4.112  -5.418   4.430
  155   1HA   GLY  24          1HA       GLY  24  -5.570  -5.861   6.265
  156   2HA   GLY  24          2HA       GLY  24  -4.697  -4.695   7.256
  157    HA   PRO  25           HA       PRO  25  -8.806  -3.272   5.540
  158   1HB   PRO  25          1HB       PRO  25  -9.975  -2.524   7.828
  159   2HB   PRO  25          2HB       PRO  25  -9.937  -4.080   7.334
  160   1HG   PRO  25          1HG       PRO  25  -8.186  -2.824   9.271
  161   2HG   PRO  25          2HG       PRO  25  -8.921  -4.276   9.407
  162   1HD   PRO  25          1HD       PRO  25  -6.445  -4.170   8.618
  163   2HD   PRO  25          2HD       PRO  25  -7.445  -5.291   7.976
  164    H    LYS  26           H        LYS  26  -6.267  -1.480   6.761
  165    HA   LYS  26           HA       LYS  26  -7.600   1.080   5.975
  166   1HB   LYS  26          1HB       LYS  26  -6.996   0.963   8.353
  167   2HB   LYS  26          2HB       LYS  26  -5.418   0.849   7.947
  168   1HG   LYS  26          1HG       LYS  26  -5.910   3.034   8.635
  169   2HG   LYS  26          2HG       LYS  26  -5.477   3.034   7.060
  170   1HD   LYS  26          1HD       LYS  26  -8.170   2.873   7.066
  171   2HD   LYS  26          2HD       LYS  26  -7.796   4.014   8.174
  172   1HE   LYS  26          1HE       LYS  26  -8.126   5.101   6.135
  173   2HE   LYS  26          2HE       LYS  26  -6.529   5.171   6.471
  174   1HZ   LYS  26          1HZ       LYS  26  -6.124   3.369   4.966
  175   2HZ   LYS  26          2HZ       LYS  26  -7.716   3.256   4.657
  176   3HZ   LYS  26          3HZ       LYS  26  -6.939   4.541   4.129
  177    H    TYR  27           H        TYR  27  -5.768  -1.201   4.813
  178    HA   TYR  27           HA       TYR  27  -4.049   0.579   3.134
  179   1HB   TYR  27          1HB       TYR  27  -3.559  -1.937   4.516
  180   2HB   TYR  27          2HB       TYR  27  -2.917  -1.801   3.020
  181    HD1  TYR  27           HD1      TYR  27  -1.507   0.245   2.444
  182    HD2  TYR  27           HD2      TYR  27  -2.411  -1.096   6.443
  183    HE1  TYR  27           HE1      TYR  27   0.417   1.552   3.314
  184    HE2  TYR  27           HE2      TYR  27  -0.420   0.163   7.299
  185    HH   TYR  27           HH       TYR  27   1.972   1.176   5.113
  186    H    CYS  28           H        CYS  28  -5.783  -2.609   3.173
  187    HA   CYS  28           HA       CYS  28  -6.378  -2.583   0.339
  188   1HB   CYS  28          1HB       CYS  28  -7.870  -3.894   2.511
  189   2HB   CYS  28          2HB       CYS  28  -7.796  -4.338   0.941
  190    H    GLY  29           H        GLY  29  -8.203  -1.678   3.277
  191   1HA   GLY  29          1HA       GLY  29 -10.117   0.086   1.978
  192   2HA   GLY  29          2HA       GLY  29  -9.779  -0.044   3.700
  193    H    ARG  30           H        ARG  30  -8.096   0.841   0.803
  194    HA   ARG  30           HA       ARG  30  -6.711   2.471   0.083
  195   1HB   ARG  30          1HB       ARG  30  -9.257   3.752   0.789
  196   2HB   ARG  30          2HB       ARG  30  -8.247   4.234  -0.401
  197   1HG   ARG  30          1HG       ARG  30  -9.682   1.736  -0.401
  198   2HG   ARG  30          2HG       ARG  30 -10.126   3.053  -1.260
  199   1HD   ARG  30          1HD       ARG  30  -9.171   1.604  -2.764
  200   2HD   ARG  30          2HD       ARG  30  -8.081   2.799  -2.540
  201    HE   ARG  30           HE       ARG  30  -7.791   0.279  -1.107
  202   1HH1  ARG  30          1HH1      ARG  30  -6.342   2.345  -3.611
  203   2HH1  ARG  30          2HH1      ARG  30  -4.790   1.614  -3.369
  204   1HH2  ARG  30          1HH2      ARG  30  -5.708  -0.368  -0.763
  205   2HH2  ARG  30          2HH2      ARG  30  -4.449   0.154  -1.833
  Start of MODEL   12
    1   1H    VAL   1          1H        VAL   1   8.327   7.001   4.302
    2   2H    VAL   1          2H        VAL   1   8.893   6.600   2.814
    3   3H    VAL   1          3H        VAL   1   9.858   7.442   3.839
    4    HA   VAL   1           HA       VAL   1  10.419   5.069   3.577
    5    HB   VAL   1           HB       VAL   1   9.735   5.950   6.408
    6   1HG1  VAL   1          1HG1      VAL   1  10.222   3.528   6.303
    7   2HG1  VAL   1          2HG1      VAL   1  11.682   3.845   5.336
    8   3HG1  VAL   1          3HG1      VAL   1  11.581   4.386   7.025
    9   1HG2  VAL   1          1HG2      VAL   1  12.148   6.631   6.426
   10   2HG2  VAL   1          2HG2      VAL   1  12.228   6.298   4.683
   11   3HG2  VAL   1          3HG2      VAL   1  11.181   7.596   5.314
   12    H    GLY   2           H        GLY   2   8.984   3.869   2.502
   13   1HA   GLY   2          1HA       GLY   2   7.763   1.672   2.951
   14   2HA   GLY   2          2HA       GLY   2   6.723   2.589   4.040
   15    H    GLU   3           H        GLU   3   7.566   4.417   1.280
   16    HA   GLU   3           HA       GLU   3   4.915   4.356   0.132
   17   1HB   GLU   3          1HB       GLU   3   6.109   5.621  -1.677
   18   2HB   GLU   3          2HB       GLU   3   5.883   6.332  -0.223
   19   1HG   GLU   3          1HG       GLU   3   8.416   5.243  -1.029
   20   2HG   GLU   3          2HG       GLU   3   8.019   6.813  -1.244
   21    H    CYS   4           H        CYS   4   4.258   3.575  -1.887
   22    HA   CYS   4           HA       CYS   4   5.253   0.969  -2.585
   23   1HB   CYS   4          1HB       CYS   4   3.529   2.681  -4.244
   24   2HB   CYS   4          2HB       CYS   4   3.609   1.049  -4.243
   25    H    VAL   5           H        VAL   5   6.478   0.276  -4.265
   26    HA   VAL   5           HA       VAL   5   8.829   1.677  -4.733
   27    HB   VAL   5           HB       VAL   5   7.638  -0.636  -6.317
   28   1HG1  VAL   5          1HG1      VAL   5  10.511   0.366  -6.256
   29   2HG1  VAL   5          2HG1      VAL   5   9.983  -1.190  -6.937
   30   3HG1  VAL   5          3HG1      VAL   5   9.424   0.313  -7.667
   31   1HG2  VAL   5          1HG2      VAL   5   9.617  -0.584  -4.002
   32   2HG2  VAL   5          2HG2      VAL   5   7.921  -1.096  -3.912
   33   3HG2  VAL   5          3HG2      VAL   5   9.067  -2.032  -4.877
   34    H    ARG   6           H        ARG   6   6.803   0.806  -7.457
   35    HA   ARG   6           HA       ARG   6   6.282   3.658  -8.050
   36   1HB   ARG   6          1HB       ARG   6   6.894   1.659 -10.154
   37   2HB   ARG   6          2HB       ARG   6   6.299   3.153 -10.439
   38   1HG   ARG   6          1HG       ARG   6   8.898   2.649  -9.293
   39   2HG   ARG   6          2HG       ARG   6   8.651   3.037 -10.860
   40   1HD   ARG   6          1HD       ARG   6   7.797   5.165 -10.185
   41   2HD   ARG   6          2HD       ARG   6   8.088   4.776  -8.625
   42    HE   ARG   6           HE       ARG   6  10.031   5.487 -10.614
   43   1HH1  ARG   6          1HH1      ARG   6   9.630   4.454  -7.252
   44   2HH1  ARG   6          2HH1      ARG   6  11.205   5.030  -6.819
   45   1HH2  ARG   6          1HH2      ARG   6  12.015   6.212  -9.934
   46   2HH2  ARG   6          2HH2      ARG   6  12.512   5.993  -8.289
   47    H    GLY   7           H        GLY   7   5.083   1.330  -6.633
   48   1HA   GLY   7          1HA       GLY   7   2.476   1.538  -6.522
   49   2HA   GLY   7          2HA       GLY   7   2.541   0.817  -8.131
   50    H    ARG   8           H        ARG   8   4.957  -0.872  -7.254
   51    HA   ARG   8           HA       ARG   8   3.550  -3.061  -5.937
   52   1HB   ARG   8          1HB       ARG   8   6.184  -2.628  -7.147
   53   2HB   ARG   8          2HB       ARG   8   6.148  -3.732  -5.944
   54   1HG   ARG   8          1HG       ARG   8   4.074  -4.257  -7.658
   55   2HG   ARG   8          2HG       ARG   8   5.447  -4.136  -8.534
   56   1HD   ARG   8          1HD       ARG   8   5.150  -6.385  -7.937
   57   2HD   ARG   8          2HD       ARG   8   6.452  -5.808  -7.139
   58    HE   ARG   8           HE       ARG   8   5.352  -5.956  -5.077
   59   1HH1  ARG   8          1HH1      ARG   8   3.300  -7.188  -7.674
   60   2HH1  ARG   8          2HH1      ARG   8   2.316  -8.057  -6.545
   61   1HH2  ARG   8          1HH2      ARG   8   4.038  -7.023  -3.749
   62   2HH2  ARG   8          2HH2      ARG   8   2.724  -7.965  -4.371
   63    H    CYS   9           H        CYS   9   4.258  -4.091  -4.160
   64    HA   CYS   9           HA       CYS   9   5.859  -2.909  -2.045
   65   1HB   CYS   9          1HB       CYS   9   2.923  -3.252  -1.968
   66   2HB   CYS   9          2HB       CYS   9   3.800  -3.320  -0.592
   67    HA   PRO  10           HA       PRO  10   6.765  -7.146  -1.135
   68   1HB   PRO  10          1HB       PRO  10   5.302  -7.118   1.426
   69   2HB   PRO  10          2HB       PRO  10   6.816  -7.650   1.120
   70   1HG   PRO  10          1HG       PRO  10   6.558  -5.314   2.172
   71   2HG   PRO  10          2HG       PRO  10   7.660  -5.491   0.979
   72   1HD   PRO  10          1HD       PRO  10   4.993  -4.411   0.755
   73   2HD   PRO  10          2HD       PRO  10   6.350  -3.848   0.042
   74    H    SER  11           H        SER  11   6.053  -9.422  -0.397
   75    HA   SER  11           HA       SER  11   4.061 -10.498  -2.001
   76   1HB   SER  11          1HB       SER  11   5.136 -11.568   0.542
   77   2HB   SER  11          2HB       SER  11   4.408 -12.442  -0.629
   78    HG   SER  11           HG       SER  11   6.634 -12.597  -0.835
   79    H    GLY  12           H        GLY  12   1.888 -10.449  -1.908
   80   1HA   GLY  12          1HA       GLY  12  -0.262 -10.547  -1.062
   81   2HA   GLY  12          2HA       GLY  12   0.399 -10.765   0.554
   82    H    MET  13           H        MET  13   1.759  -7.902  -0.697
   83    HA   MET  13           HA       MET  13   0.534  -6.099   1.005
   84   1HB   MET  13          1HB       MET  13   1.451  -4.467  -0.472
   85   2HB   MET  13          2HB       MET  13   2.510  -5.704  -0.342
   86   1HG   MET  13          1HG       MET  13   2.625  -5.450  -2.536
   87   2HG   MET  13          2HG       MET  13   1.338  -6.456  -2.495
   88   1HE   MET  13          1HE       MET  13   0.515  -4.163  -5.561
   89   2HE   MET  13          2HE       MET  13   2.109  -4.768  -5.064
   90   3HE   MET  13          3HE       MET  13   0.693  -5.851  -5.033
   91    H    CYS  14           H        CYS  14  -0.666  -4.244   0.570
   92    HA   CYS  14           HA       CYS  14  -2.116  -4.062  -1.971
   93   1HB   CYS  14          1HB       CYS  14  -3.605  -3.542   0.507
   94   2HB   CYS  14          2HB       CYS  14  -4.157  -3.400  -1.024
   95    H    CYS  15           H        CYS  15  -0.738  -2.477  -2.657
   96    HA   CYS  15           HA       CYS  15   0.278  -0.269  -1.262
   97   1HB   CYS  15          1HB       CYS  15   1.019  -0.807  -3.431
   98   2HB   CYS  15          2HB       CYS  15  -0.447  -0.555  -4.106
   99    H    SER  16           H        SER  16  -0.713   1.210  -0.154
  100    HA   SER  16           HA       SER  16  -3.536   1.490  -0.028
  101   1HB   SER  16          1HB       SER  16  -1.900   1.883   1.754
  102   2HB   SER  16          2HB       SER  16  -1.403   3.261   1.032
  103    HG   SER  16           HG       SER  16  -2.835   3.702   2.735
  104    H    GLN  17           H        GLN  17  -4.848   3.379  -0.257
  105    HA   GLN  17           HA       GLN  17  -4.502   5.194  -2.446
  106   1HB   GLN  17          1HB       GLN  17  -6.614   4.712  -1.434
  107   2HB   GLN  17          2HB       GLN  17  -6.156   5.340   0.003
  108   1HG   GLN  17          1HG       GLN  17  -7.621   6.811  -1.115
  109   2HG   GLN  17          2HG       GLN  17  -6.155   7.506  -0.922
  110   1HE2  GLN  17          1HE2      GLN  17  -4.684   7.751  -2.779
  111   2HE2  GLN  17          2HE2      GLN  17  -5.480   7.752  -4.379
  112    H    TRP  18           H        TRP  18  -3.063   5.135   0.720
  113    HA   TRP  18           HA       TRP  18  -2.176   7.948   0.729
  114   1HB   TRP  18          1HB       TRP  18  -1.749   5.598   2.434
  115   2HB   TRP  18          2HB       TRP  18  -0.807   6.922   2.597
  116    HD1  TRP  18           HD1      TRP  18  -1.485   8.699   4.199
  117    HE1  TRP  18           HE1      TRP  18  -3.598   9.246   5.550
  118    HE3  TRP  18           HE3      TRP  18  -4.731   5.275   2.150
  119    HZ2  TRP  18           HZ2      TRP  18  -6.278   8.260   5.808
  120    HZ3  TRP  18           HZ3      TRP  18  -7.038   5.092   2.995
  121    HH2  TRP  18           HH2      TRP  18  -7.828   6.570   4.825
  122    H    GLY  19           H        GLY  19  -1.304   5.308  -1.154
  123   1HA   GLY  19          1HA       GLY  19   0.465   5.034  -2.601
  124   2HA   GLY  19          2HA       GLY  19   1.208   6.510  -1.978
  125    H    TYR  20           H        TYR  20   0.389   4.033   0.302
  126    HA   TYR  20           HA       TYR  20   3.269   3.330   0.680
  127   1HB   TYR  20          1HB       TYR  20   1.306   4.384   2.529
  128   2HB   TYR  20          2HB       TYR  20   2.269   3.203   3.118
  129    HD1  TYR  20           HD1      TYR  20   4.022   3.946   4.475
  130    HD2  TYR  20           HD2      TYR  20   2.765   6.246   1.037
  131    HE1  TYR  20           HE1      TYR  20   5.836   5.586   4.883
  132    HE2  TYR  20           HE2      TYR  20   4.653   7.806   1.395
  133    HH   TYR  20           HH       TYR  20   6.466   8.283   2.572
  134    H    CYS  21           H        CYS  21   3.816   1.416   1.649
  135    HA   CYS  21           HA       CYS  21   2.179  -0.902   0.958
  136   1HB   CYS  21          1HB       CYS  21   4.799  -0.672   2.325
  137   2HB   CYS  21          2HB       CYS  21   4.171  -2.040   1.692
  138    H    GLY  22           H        GLY  22   1.446  -2.578   2.433
  139   1HA   GLY  22          1HA       GLY  22   1.648  -2.961   5.045
  140   2HA   GLY  22          2HA       GLY  22   0.560  -1.568   4.984
  141    H    LYS  23           H        LYS  23  -0.801  -3.172   5.987
  142    HA   LYS  23           HA       LYS  23  -2.604  -4.704   4.265
  143   1HB   LYS  23          1HB       LYS  23  -0.995  -5.738   6.558
  144   2HB   LYS  23          2HB       LYS  23  -2.278  -6.538   5.940
  145   1HG   LYS  23          1HG       LYS  23   0.217  -6.078   4.582
  146   2HG   LYS  23          2HG       LYS  23  -0.306  -7.518   5.149
  147   1HD   LYS  23          1HD       LYS  23  -1.687  -6.117   3.055
  148   2HD   LYS  23          2HD       LYS  23  -0.528  -7.224   2.739
  149   1HE   LYS  23          1HE       LYS  23  -1.809  -8.947   3.538
  150   2HE   LYS  23          2HE       LYS  23  -2.826  -7.931   4.313
  151   1HZ   LYS  23          1HZ       LYS  23  -3.937  -7.386   2.451
  152   2HZ   LYS  23          2HZ       LYS  23  -2.656  -7.953   1.458
  153   3HZ   LYS  23          3HZ       LYS  23  -3.669  -8.969   2.259
  154    H    GLY  24           H        GLY  24  -4.472  -5.485   5.652
  155   1HA   GLY  24          1HA       GLY  24  -6.165  -4.991   7.185
  156   2HA   GLY  24          2HA       GLY  24  -5.201  -3.671   7.856
  157    HA   PRO  25           HA       PRO  25  -8.629  -2.118   5.147
  158   1HB   PRO  25          1HB       PRO  25  -9.986  -0.658   6.926
  159   2HB   PRO  25          2HB       PRO  25 -10.147  -2.282   6.882
  160   1HG   PRO  25          1HG       PRO  25  -8.476  -0.747   8.690
  161   2HG   PRO  25          2HG       PRO  25  -9.481  -1.973   9.086
  162   1HD   PRO  25          1HD       PRO  25  -6.935  -2.439   8.740
  163   2HD   PRO  25          2HD       PRO  25  -8.037  -3.567   8.315
  164    H    LYS  26           H        LYS  26  -5.923  -0.633   6.238
  165    HA   LYS  26           HA       LYS  26  -6.706   2.041   5.103
  166   1HB   LYS  26          1HB       LYS  26  -5.405   1.737   7.341
  167   2HB   LYS  26          2HB       LYS  26  -4.101   1.654   6.362
  168   1HG   LYS  26          1HG       LYS  26  -5.124   3.767   5.357
  169   2HG   LYS  26          2HG       LYS  26  -5.816   3.887   6.831
  170   1HD   LYS  26          1HD       LYS  26  -4.005   4.990   7.399
  171   2HD   LYS  26          2HD       LYS  26  -3.287   3.524   7.466
  172   1HE   LYS  26          1HE       LYS  26  -3.262   5.241   5.149
  173   2HE   LYS  26          2HE       LYS  26  -1.999   5.053   6.166
  174   1HZ   LYS  26          1HZ       LYS  26  -3.088   2.901   4.601
  175   2HZ   LYS  26          2HZ       LYS  26  -1.802   3.797   4.130
  176   3HZ   LYS  26          3HZ       LYS  26  -1.683   2.871   5.483
  177    H    TYR  27           H        TYR  27  -6.032  -0.643   3.907
  178    HA   TYR  27           HA       TYR  27  -4.006   0.023   1.828
  179   1HB   TYR  27          1HB       TYR  27  -3.906  -2.198   3.788
  180   2HB   TYR  27          2HB       TYR  27  -2.963  -2.127   2.456
  181    HD1  TYR  27           HD1      TYR  27  -1.261  -0.316   2.144
  182    HD2  TYR  27           HD2      TYR  27  -3.379  -1.004   5.833
  183    HE1  TYR  27           HE1      TYR  27   0.288   1.216   3.332
  184    HE2  TYR  27           HE2      TYR  27  -1.735   0.425   7.043
  185    HH   TYR  27           HH       TYR  27   1.135   1.630   5.534
  186    H    CYS  28           H        CYS  28  -6.097  -2.591   3.097
  187    HA   CYS  28           HA       CYS  28  -7.234  -3.012   0.351
  188   1HB   CYS  28          1HB       CYS  28  -5.604  -4.733   1.811
  189   2HB   CYS  28          2HB       CYS  28  -7.090  -5.409   1.776
  190    H    GLY  29           H        GLY  29  -7.602  -3.624   3.819
  191   1HA   GLY  29          1HA       GLY  29 -10.086  -3.786   4.704
  192   2HA   GLY  29          2HA       GLY  29 -10.186  -5.002   3.413
  193    H    ARG  30           H        ARG  30  -7.853  -6.272   3.389
  194    HA   ARG  30           HA       ARG  30  -7.002  -6.983   6.112
  195   1HB   ARG  30          1HB       ARG  30  -8.485  -8.724   5.422
  196   2HB   ARG  30          2HB       ARG  30  -7.721  -8.918   3.991
  197   1HG   ARG  30          1HG       ARG  30  -7.129 -10.660   5.486
  198   2HG   ARG  30          2HG       ARG  30  -5.815  -9.767   5.105
  199   1HD   ARG  30          1HD       ARG  30  -6.160  -8.565   7.210
  200   2HD   ARG  30          2HD       ARG  30  -7.264  -9.706   7.594
  201    HE   ARG  30           HE       ARG  30  -5.644 -11.228   8.060
  202   1HH1  ARG  30          1HH1      ARG  30  -4.121  -8.412   6.532
  203   2HH1  ARG  30          2HH1      ARG  30  -2.540  -8.920   7.024
  204   1HH2  ARG  30          1HH2      ARG  30  -3.574 -11.761   8.644
  205   2HH2  ARG  30          2HH2      ARG  30  -2.241 -10.756   8.182
  Start of MODEL   13
    1   1H    VAL   1          1H        VAL   1   8.791   7.024   3.946
    2   2H    VAL   1          2H        VAL   1   9.283   6.538   2.455
    3   3H    VAL   1          3H        VAL   1  10.306   7.412   3.392
    4    HA   VAL   1           HA       VAL   1  10.808   5.015   3.226
    5    HB   VAL   1           HB       VAL   1  10.287   6.065   6.033
    6   1HG1  VAL   1          1HG1      VAL   1  12.128   4.489   6.645
    7   2HG1  VAL   1          2HG1      VAL   1  10.714   3.630   6.039
    8   3HG1  VAL   1          3HG1      VAL   1  12.127   3.855   4.985
    9   1HG2  VAL   1          1HG2      VAL   1  11.712   7.612   4.778
   10   2HG2  VAL   1          2HG2      VAL   1  12.711   6.689   5.896
   11   3HG2  VAL   1          3HG2      VAL   1  12.700   6.257   4.173
   12    H    GLY   2           H        GLY   2   9.337   3.738   2.316
   13   1HA   GLY   2          1HA       GLY   2   8.073   1.621   2.959
   14   2HA   GLY   2          2HA       GLY   2   7.097   2.637   4.015
   15    H    GLU   3           H        GLU   3   7.872   4.288   1.142
   16    HA   GLU   3           HA       GLU   3   5.186   4.208   0.091
   17   1HB   GLU   3          1HB       GLU   3   6.309   5.348  -1.832
   18   2HB   GLU   3          2HB       GLU   3   6.186   6.141  -0.409
   19   1HG   GLU   3          1HG       GLU   3   8.643   4.933  -1.279
   20   2HG   GLU   3          2HG       GLU   3   8.275   6.494  -1.585
   21    H    CYS   4           H        CYS   4   4.434   3.340  -1.832
   22    HA   CYS   4           HA       CYS   4   5.353   0.710  -2.523
   23   1HB   CYS   4          1HB       CYS   4   3.595   2.465  -4.121
   24   2HB   CYS   4          2HB       CYS   4   3.630   0.833  -4.130
   25    H    VAL   5           H        VAL   5   6.196  -0.031  -4.520
   26    HA   VAL   5           HA       VAL   5   8.600   1.024  -5.365
   27    HB   VAL   5           HB       VAL   5   6.696  -0.703  -6.991
   28   1HG1  VAL   5          1HG1      VAL   5   8.328   0.305  -8.542
   29   2HG1  VAL   5          2HG1      VAL   5   9.658  -0.123  -7.450
   30   3HG1  VAL   5          3HG1      VAL   5   8.724  -1.393  -8.272
   31   1HG2  VAL   5          1HG2      VAL   5   7.456  -1.697  -4.833
   32   2HG2  VAL   5          2HG2      VAL   5   8.114  -2.557  -6.229
   33   3HG2  VAL   5          3HG2      VAL   5   9.139  -1.428  -5.315
   34    H    ARG   6           H        ARG   6   5.966   1.092  -7.698
   35    HA   ARG   6           HA       ARG   6   5.503   3.894  -7.100
   36   1HB   ARG   6          1HB       ARG   6   5.845   3.074  -9.920
   37   2HB   ARG   6          2HB       ARG   6   5.070   4.440  -9.470
   38   1HG   ARG   6          1HG       ARG   6   7.864   3.961  -9.002
   39   2HG   ARG   6          2HG       ARG   6   7.288   4.847 -10.248
   40   1HD   ARG   6          1HD       ARG   6   8.006   6.381  -8.702
   41   2HD   ARG   6          2HD       ARG   6   6.378   6.389  -8.578
   42    HE   ARG   6           HE       ARG   6   7.646   4.606  -6.773
   43   1HH1  ARG   6          1HH1      ARG   6   6.792   8.010  -6.951
   44   2HH1  ARG   6          2HH1      ARG   6   6.588   8.123  -5.235
   45   1HH2  ARG   6          1HH2      ARG   6   7.207   4.782  -4.626
   46   2HH2  ARG   6          2HH2      ARG   6   6.819   6.323  -3.939
   47    H    GLY   7           H        GLY   7   4.399   1.277  -6.491
   48   1HA   GLY   7          1HA       GLY   7   1.751   1.648  -6.229
   49   2HA   GLY   7          2HA       GLY   7   1.795   1.121  -7.906
   50    H    ARG   8           H        ARG   8   4.217  -0.779  -6.976
   51    HA   ARG   8           HA       ARG   8   2.643  -2.904  -5.653
   52   1HB   ARG   8          1HB       ARG   8   5.262  -2.970  -7.035
   53   2HB   ARG   8          2HB       ARG   8   4.355  -4.257  -6.600
   54   1HG   ARG   8          1HG       ARG   8   3.557  -2.396  -8.641
   55   2HG   ARG   8          2HG       ARG   8   4.324  -3.801  -8.967
   56   1HD   ARG   8          1HD       ARG   8   2.105  -4.215  -9.389
   57   2HD   ARG   8          2HD       ARG   8   2.405  -4.944  -7.959
   58    HE   ARG   8           HE       ARG   8   1.543  -2.461  -7.262
   59   1HH1  ARG   8          1HH1      ARG   8  -0.053  -5.101  -8.963
   60   2HH1  ARG   8          2HH1      ARG   8  -1.611  -4.538  -8.457
   61   1HH2  ARG   8          1HH2      ARG   8  -0.370  -1.841  -6.664
   62   2HH2  ARG   8          2HH2      ARG   8  -1.790  -2.700  -7.161
   63    H    CYS   9           H        CYS   9   3.968  -4.319  -4.187
   64    HA   CYS   9           HA       CYS   9   5.788  -2.999  -2.342
   65   1HB   CYS   9          1HB       CYS   9   2.899  -3.356  -1.909
   66   2HB   CYS   9          2HB       CYS   9   3.909  -3.483  -0.632
   67    HA   PRO  10           HA       PRO  10   6.909  -7.147  -1.278
   68   1HB   PRO  10          1HB       PRO  10   5.973  -6.828   1.500
   69   2HB   PRO  10          2HB       PRO  10   7.414  -7.379   0.964
   70   1HG   PRO  10          1HG       PRO  10   7.282  -4.943   1.798
   71   2HG   PRO  10          2HG       PRO  10   8.164  -5.248   0.457
   72   1HD   PRO  10          1HD       PRO  10   5.485  -4.197   0.591
   73   2HD   PRO  10          2HD       PRO  10   6.683  -3.729  -0.415
   74    H    SER  11           H        SER  11   6.400  -9.282  -0.120
   75    HA   SER  11           HA       SER  11   4.550 -10.714  -1.352
   76   1HB   SER  11          1HB       SER  11   5.445 -11.215   1.417
   77   2HB   SER  11          2HB       SER  11   4.939 -12.336   0.343
   78    HG   SER  11           HG       SER  11   7.168 -12.298   0.360
   79    H    GLY  12           H        GLY  12   2.430 -10.422  -1.587
   80   1HA   GLY  12          1HA       GLY  12   0.177 -10.379  -1.107
   81   2HA   GLY  12          2HA       GLY  12   0.569 -10.941   0.518
   82    H    MET  13           H        MET  13   1.911  -7.873  -0.671
   83    HA   MET  13           HA       MET  13   0.804  -6.148   1.239
   84   1HB   MET  13          1HB       MET  13   1.447  -4.479  -0.392
   85   2HB   MET  13          2HB       MET  13   2.614  -5.612  -0.246
   86   1HG   MET  13          1HG       MET  13   2.598  -5.568  -2.447
   87   2HG   MET  13          2HG       MET  13   1.332  -6.586  -2.274
   88   1HE   MET  13          1HE       MET  13   1.696  -5.409  -5.025
   89   2HE   MET  13          2HE       MET  13   0.281  -6.376  -4.552
   90   3HE   MET  13          3HE       MET  13   0.051  -4.822  -5.377
   91    H    CYS  14           H        CYS  14  -0.514  -4.359   0.959
   92    HA   CYS  14           HA       CYS  14  -2.063  -4.153  -1.532
   93   1HB   CYS  14          1HB       CYS  14  -3.344  -3.262   0.941
   94   2HB   CYS  14          2HB       CYS  14  -4.002  -3.462  -0.541
   95    H    CYS  15           H        CYS  15  -0.752  -2.529  -2.388
   96    HA   CYS  15           HA       CYS  15   0.429  -0.346  -1.009
   97   1HB   CYS  15          1HB       CYS  15   0.913  -0.890  -3.291
   98   2HB   CYS  15          2HB       CYS  15  -0.598  -0.503  -3.778
   99    H    SER  16           H        SER  16  -0.507   1.212   0.178
  100    HA   SER  16           HA       SER  16  -3.329   1.528   0.399
  101   1HB   SER  16          1HB       SER  16  -1.602   2.098   2.107
  102   2HB   SER  16          2HB       SER  16  -1.273   3.473   1.289
  103    HG   SER  16           HG       SER  16  -2.715   3.871   3.008
  104    H    GLN  17           H        GLN  17  -4.484   3.505   0.288
  105    HA   GLN  17           HA       GLN  17  -4.575   4.904  -2.241
  106   1HB   GLN  17          1HB       GLN  17  -5.798   5.645   0.355
  107   2HB   GLN  17          2HB       GLN  17  -6.245   6.199  -1.115
  108   1HG   GLN  17          1HG       GLN  17  -7.844   4.658  -0.437
  109   2HG   GLN  17          2HG       GLN  17  -7.006   3.978  -1.663
  110   1HE2  GLN  17          1HE2      GLN  17  -7.005   1.752  -1.320
  111   2HE2  GLN  17          2HE2      GLN  17  -6.295   1.083   0.134
  112    H    TRP  18           H        TRP  18  -2.723   5.330   0.653
  113    HA   TRP  18           HA       TRP  18  -1.843   8.082   0.052
  114   1HB   TRP  18          1HB       TRP  18  -1.136   6.157   2.178
  115   2HB   TRP  18          2HB       TRP  18  -0.662   7.719   2.120
  116    HD1  TRP  18           HD1      TRP  18  -3.615   8.853   1.395
  117    HE1  TRP  18           HE1      TRP  18  -5.242   9.154   3.351
  118    HE3  TRP  18           HE3      TRP  18  -1.449   5.648   4.751
  119    HZ2  TRP  18           HZ2      TRP  18  -5.511   8.217   6.065
  120    HZ3  TRP  18           HZ3      TRP  18  -2.391   5.407   7.035
  121    HH2  TRP  18           HH2      TRP  18  -4.395   6.702   7.710
  122    H    GLY  19           H        GLY  19  -1.066   5.121  -1.274
  123   1HA   GLY  19          1HA       GLY  19   0.697   4.520  -2.622
  124   2HA   GLY  19          2HA       GLY  19   1.441   6.091  -2.322
  125    H    TYR  20           H        TYR  20   0.668   3.960   0.356
  126    HA   TYR  20           HA       TYR  20   3.547   3.253   0.738
  127   1HB   TYR  20          1HB       TYR  20   1.668   4.490   2.561
  128   2HB   TYR  20          2HB       TYR  20   2.630   3.336   3.201
  129    HD1  TYR  20           HD1      TYR  20   4.472   4.115   4.412
  130    HD2  TYR  20           HD2      TYR  20   3.074   6.233   0.914
  131    HE1  TYR  20           HE1      TYR  20   6.329   5.741   4.633
  132    HE2  TYR  20           HE2      TYR  20   4.997   7.788   1.095
  133    HH   TYR  20           HH       TYR  20   6.883   8.296   2.147
  134    H    CYS  21           H        CYS  21   4.074   1.352   1.778
  135    HA   CYS  21           HA       CYS  21   2.334  -0.878   1.063
  136   1HB   CYS  21          1HB       CYS  21   4.996  -0.792   2.352
  137   2HB   CYS  21          2HB       CYS  21   4.281  -2.136   1.760
  138    H    GLY  22           H        GLY  22   1.535  -2.573   2.408
  139   1HA   GLY  22          1HA       GLY  22   1.678  -3.106   5.031
  140   2HA   GLY  22          2HA       GLY  22   0.537  -1.750   4.938
  141    H    LYS  23           H        LYS  23  -1.044  -3.400   5.625
  142    HA   LYS  23           HA       LYS  23  -2.485  -4.619   3.386
  143   1HB   LYS  23          1HB       LYS  23  -1.523  -6.177   5.723
  144   2HB   LYS  23          2HB       LYS  23  -2.710  -6.688   4.724
  145   1HG   LYS  23          1HG       LYS  23  -1.121  -7.809   3.732
  146   2HG   LYS  23          2HG       LYS  23  -0.740  -6.383   3.033
  147   1HD   LYS  23          1HD       LYS  23   0.861  -5.982   4.764
  148   2HD   LYS  23          2HD       LYS  23   0.501  -7.435   5.417
  149   1HE   LYS  23          1HE       LYS  23   1.761  -7.045   2.853
  150   2HE   LYS  23          2HE       LYS  23   2.519  -7.579   4.198
  151   1HZ   LYS  23          1HZ       LYS  23   2.055  -9.384   2.757
  152   2HZ   LYS  23          2HZ       LYS  23   1.170  -9.543   4.150
  153   3HZ   LYS  23          3HZ       LYS  23   0.467  -8.973   2.757
  154    H    GLY  24           H        GLY  24  -4.754  -5.112   4.100
  155   1HA   GLY  24          1HA       GLY  24  -6.465  -5.231   5.685
  156   2HA   GLY  24          2HA       GLY  24  -5.490  -4.333   6.840
  157    HA   PRO  25           HA       PRO  25  -9.233  -2.018   5.317
  158   1HB   PRO  25          1HB       PRO  25  -8.996  -0.969   8.059
  159   2HB   PRO  25          2HB       PRO  25 -10.347  -1.334   7.217
  160   1HG   PRO  25          1HG       PRO  25  -9.475  -3.068   8.911
  161   2HG   PRO  25          2HG       PRO  25 -10.020  -3.613   7.471
  162   1HD   PRO  25          1HD       PRO  25  -7.287  -3.239   8.286
  163   2HD   PRO  25          2HD       PRO  25  -7.895  -4.450   7.375
  164    H    LYS  26           H        LYS  26  -6.187  -0.700   6.104
  165    HA   LYS  26           HA       LYS  26  -7.047   1.931   4.986
  166   1HB   LYS  26          1HB       LYS  26  -6.452   2.028   7.361
  167   2HB   LYS  26          2HB       LYS  26  -4.906   1.668   6.976
  168   1HG   LYS  26          1HG       LYS  26  -5.156   3.972   7.374
  169   2HG   LYS  26          2HG       LYS  26  -4.680   3.694   5.837
  170   1HD   LYS  26          1HD       LYS  26  -7.429   4.206   6.426
  171   2HD   LYS  26          2HD       LYS  26  -6.384   5.446   6.229
  172   1HE   LYS  26          1HE       LYS  26  -7.332   3.643   4.216
  173   2HE   LYS  26          2HE       LYS  26  -7.474   5.270   4.238
  174   1HZ   LYS  26          1HZ       LYS  26  -4.985   3.896   3.905
  175   2HZ   LYS  26          2HZ       LYS  26  -5.862   4.397   2.652
  176   3HZ   LYS  26          3HZ       LYS  26  -5.209   5.524   3.715
  177    H    TYR  27           H        TYR  27  -5.794  -0.671   4.072
  178    HA   TYR  27           HA       TYR  27  -3.714   0.426   2.242
  179   1HB   TYR  27          1HB       TYR  27  -3.776  -1.992   3.921
  180   2HB   TYR  27          2HB       TYR  27  -2.799  -1.890   2.617
  181    HD1  TYR  27           HD1      TYR  27  -3.183  -1.029   6.069
  182    HD2  TYR  27           HD2      TYR  27  -1.057  -0.090   2.432
  183    HE1  TYR  27           HE1      TYR  27  -1.446   0.196   7.384
  184    HE2  TYR  27           HE2      TYR  27   0.590   1.223   3.736
  185    HH   TYR  27           HH       TYR  27   1.498   1.364   5.855
  186    H    CYS  28           H        CYS  28  -5.611  -2.595   2.681
  187    HA   CYS  28           HA       CYS  28  -6.359  -2.693  -0.175
  188   1HB   CYS  28          1HB       CYS  28  -6.457  -4.445   2.099
  189   2HB   CYS  28          2HB       CYS  28  -7.808  -4.522   1.184
  190    H    GLY  29           H        GLY  29  -7.663  -1.329   2.746
  191   1HA   GLY  29          1HA       GLY  29  -9.712  -0.156   3.071
  192   2HA   GLY  29          2HA       GLY  29 -10.257  -0.652   1.472
  193    H    ARG  30           H        ARG  30  -9.028  -3.383   2.898
  194    HA   ARG  30           HA       ARG  30 -11.270  -4.268   4.514
  195   1HB   ARG  30          1HB       ARG  30 -11.928  -4.844   2.285
  196   2HB   ARG  30          2HB       ARG  30 -10.464  -5.475   1.929
  197   1HG   ARG  30          1HG       ARG  30 -12.120  -7.147   2.140
  198   2HG   ARG  30          2HG       ARG  30 -10.906  -7.358   3.213
  199   1HD   ARG  30          1HD       ARG  30 -13.388  -6.135   4.009
  200   2HD   ARG  30          2HD       ARG  30 -13.177  -7.753   4.083
  201    HE   ARG  30           HE       ARG  30 -11.009  -6.557   5.314
  202   1HH1  ARG  30          1HH1      ARG  30 -14.378  -6.894   6.306
  203   2HH1  ARG  30          2HH1      ARG  30 -13.954  -6.424   7.918
  204   1HH2  ARG  30          1HH2      ARG  30 -10.574  -5.997   7.163
  205   2HH2  ARG  30          2HH2      ARG  30 -11.775  -5.909   8.408
  Start of MODEL   14
    1   1H    VAL   1          1H        VAL   1   9.088   6.363   3.635
    2   2H    VAL   1          2H        VAL   1  10.366   6.820   4.566
    3   3H    VAL   1          3H        VAL   1   8.883   6.510   5.258
    4    HA   VAL   1           HA       VAL   1  10.327   4.482   3.752
    5    HB   VAL   1           HB       VAL   1  11.828   5.159   5.511
    6   1HG1  VAL   1          1HG1      VAL   1  10.241   6.052   7.210
    7   2HG1  VAL   1          2HG1      VAL   1   9.718   4.391   7.568
    8   3HG1  VAL   1          3HG1      VAL   1  11.387   4.885   7.879
    9   1HG2  VAL   1          1HG2      VAL   1  12.223   2.973   6.498
   10   2HG2  VAL   1          2HG2      VAL   1  10.565   2.460   6.141
   11   3HG2  VAL   1          3HG2      VAL   1  11.708   2.788   4.814
   12    H    GLY   2           H        GLY   2   9.016   2.905   3.264
   13   1HA   GLY   2          1HA       GLY   2   7.262   1.255   3.956
   14   2HA   GLY   2          2HA       GLY   2   6.424   2.585   4.749
   15    H    GLU   3           H        GLU   3   7.762   3.845   1.928
   16    HA   GLU   3           HA       GLU   3   5.364   4.225   0.506
   17   1HB   GLU   3          1HB       GLU   3   8.189   4.256  -0.380
   18   2HB   GLU   3          2HB       GLU   3   6.946   4.821  -1.276
   19   1HG   GLU   3          1HG       GLU   3   7.993   6.652  -0.376
   20   2HG   GLU   3          2HG       GLU   3   6.573   6.491   0.415
   21    H    CYS   4           H        CYS   4   4.550   3.319  -1.408
   22    HA   CYS   4           HA       CYS   4   5.216   0.558  -2.133
   23   1HB   CYS   4          1HB       CYS   4   3.702   2.546  -3.702
   24   2HB   CYS   4          2HB       CYS   4   3.657   0.921  -3.864
   25    H    VAL   5           H        VAL   5   6.098  -0.082  -4.164
   26    HA   VAL   5           HA       VAL   5   8.620   0.923  -4.837
   27    HB   VAL   5           HB       VAL   5   6.703  -0.685  -6.575
   28   1HG1  VAL   5          1HG1      VAL   5   8.432   0.317  -8.023
   29   2HG1  VAL   5          2HG1      VAL   5   9.701  -0.217  -6.903
   30   3HG1  VAL   5          3HG1      VAL   5   8.742  -1.406  -7.809
   31   1HG2  VAL   5          1HG2      VAL   5   8.024  -2.614  -5.828
   32   2HG2  VAL   5          2HG2      VAL   5   9.042  -1.555  -4.824
   33   3HG2  VAL   5          3HG2      VAL   5   7.326  -1.779  -4.437
   34    H    ARG   6           H        ARG   6   6.097   1.087  -7.277
   35    HA   ARG   6           HA       ARG   6   5.614   3.908  -6.738
   36   1HB   ARG   6          1HB       ARG   6   6.309   3.040  -9.476
   37   2HB   ARG   6          2HB       ARG   6   5.457   4.401  -9.175
   38   1HG   ARG   6          1HG       ARG   6   8.179   3.981  -8.352
   39   2HG   ARG   6          2HG       ARG   6   7.734   4.868  -9.650
   40   1HD   ARG   6          1HD       ARG   6   8.213   6.419  -8.043
   41   2HD   ARG   6          2HD       ARG   6   6.581   6.354  -8.062
   42    HE   ARG   6           HE       ARG   6   7.788   4.612  -6.168
   43   1HH1  ARG   6          1HH1      ARG   6   6.583   7.911  -6.402
   44   2HH1  ARG   6          2HH1      ARG   6   6.164   7.952  -4.722
   45   1HH2  ARG   6          1HH2      ARG   6   7.108   4.698  -4.077
   46   2HH2  ARG   6          2HH2      ARG   6   6.456   6.165  -3.429
   47    H    GLY   7           H        GLY   7   4.344   1.186  -6.403
   48   1HA   GLY   7          1HA       GLY   7   1.680   1.885  -6.553
   49   2HA   GLY   7          2HA       GLY   7   1.981   1.179  -8.138
   50    H    ARG   8           H        ARG   8   3.996  -0.828  -6.747
   51    HA   ARG   8           HA       ARG   8   2.074  -2.398  -5.154
   52   1HB   ARG   8          1HB       ARG   8   3.026  -4.310  -6.094
   53   2HB   ARG   8          2HB       ARG   8   2.606  -3.341  -7.339
   54   1HG   ARG   8          1HG       ARG   8   4.756  -3.001  -7.957
   55   2HG   ARG   8          2HG       ARG   8   5.337  -3.399  -6.483
   56   1HD   ARG   8          1HD       ARG   8   4.164  -5.335  -8.279
   57   2HD   ARG   8          2HD       ARG   8   5.776  -5.092  -8.170
   58    HE   ARG   8           HE       ARG   8   4.983  -5.637  -5.600
   59   1HH1  ARG   8          1HH1      ARG   8   5.050  -7.554  -8.566
   60   2HH1  ARG   8          2HH1      ARG   8   5.089  -9.027  -7.655
   61   1HH2  ARG   8          1HH2      ARG   8   5.001  -7.468  -4.571
   62   2HH2  ARG   8          2HH2      ARG   8   5.061  -8.978  -5.417
   63    H    CYS   9           H        CYS   9   3.423  -4.120  -3.947
   64    HA   CYS   9           HA       CYS   9   5.979  -3.203  -2.820
   65   1HB   CYS   9          1HB       CYS   9   3.491  -2.936  -1.521
   66   2HB   CYS   9          2HB       CYS   9   4.382  -4.031  -0.699
   67    HA   PRO  10           HA       PRO  10   6.943  -7.585  -2.567
   68   1HB   PRO  10          1HB       PRO  10   6.489  -7.782   0.332
   69   2HB   PRO  10          2HB       PRO  10   7.753  -8.331  -0.545
   70   1HG   PRO  10          1HG       PRO  10   8.045  -6.128   0.782
   71   2HG   PRO  10          2HG       PRO  10   8.696  -6.223  -0.713
   72   1HD   PRO  10          1HD       PRO  10   6.233  -4.938   0.048
   73   2HD   PRO  10          2HD       PRO  10   7.335  -4.408  -1.035
   74    H    SER  11           H        SER  11   6.043  -9.682  -2.559
   75    HA   SER  11           HA       SER  11   3.393  -9.466  -3.427
   76   1HB   SER  11          1HB       SER  11   5.089 -11.892  -3.258
   77   2HB   SER  11          2HB       SER  11   3.765 -11.737  -4.200
   78    HG   SER  11           HG       SER  11   5.770 -11.425  -5.269
   79    H    GLY  12           H        GLY  12   3.419  -9.235  -0.738
   80   1HA   GLY  12          1HA       GLY  12   0.983 -10.868  -0.136
   81   2HA   GLY  12          2HA       GLY  12   2.153 -10.643   1.158
   82    H    MET  13           H        MET  13   2.307  -7.709  -0.441
   83    HA   MET  13           HA       MET  13   1.141  -6.174   1.561
   84   1HB   MET  13          1HB       MET  13   1.641  -4.436  -0.064
   85   2HB   MET  13          2HB       MET  13   2.863  -5.518   0.000
   86   1HG   MET  13          1HG       MET  13   2.750  -5.666  -2.163
   87   2HG   MET  13          2HG       MET  13   1.312  -6.418  -1.974
   88   1HE   MET  13          1HE       MET  13  -0.064  -5.970  -4.075
   89   2HE   MET  13          2HE       MET  13   0.231  -4.500  -5.028
   90   3HE   MET  13          3HE       MET  13   1.571  -5.620  -4.676
   91    H    CYS  14           H        CYS  14  -0.261  -4.232   1.067
   92    HA   CYS  14           HA       CYS  14  -1.778  -4.347  -1.366
   93   1HB   CYS  14          1HB       CYS  14  -3.766  -3.415   0.012
   94   2HB   CYS  14          2HB       CYS  14  -3.630  -4.988  -0.406
   95    H    CYS  15           H        CYS  15  -0.385  -2.717  -2.076
   96    HA   CYS  15           HA       CYS  15   0.334  -0.345  -0.850
   97   1HB   CYS  15          1HB       CYS  15   1.085  -1.013  -3.024
   98   2HB   CYS  15          2HB       CYS  15  -0.385  -0.755  -3.687
   99    H    SER  16           H        SER  16  -0.779   1.183   0.119
  100    HA   SER  16           HA       SER  16  -3.633   1.663  -0.208
  101   1HB   SER  16          1HB       SER  16  -2.231   2.062   1.838
  102   2HB   SER  16          2HB       SER  16  -1.602   3.381   1.108
  103    HG   SER  16           HG       SER  16  -3.669   3.410   2.558
  104    H    GLN  17           H        GLN  17  -4.605   3.571  -1.090
  105    HA   GLN  17           HA       GLN  17  -3.298   4.834  -3.319
  106   1HB   GLN  17          1HB       GLN  17  -5.241   6.081  -3.537
  107   2HB   GLN  17          2HB       GLN  17  -5.684   4.562  -3.135
  108   1HG   GLN  17          1HG       GLN  17  -5.777   6.804  -1.338
  109   2HG   GLN  17          2HG       GLN  17  -7.077   6.185  -2.109
  110   1HE2  GLN  17          1HE2      GLN  17  -7.017   3.456  -1.709
  111   2HE2  GLN  17          2HE2      GLN  17  -7.006   3.210   0.036
  112    H    TRP  18           H        TRP  18  -2.726   5.415  -0.062
  113    HA   TRP  18           HA       TRP  18  -1.800   8.206  -0.336
  114   1HB   TRP  18          1HB       TRP  18  -1.477   6.101   1.694
  115   2HB   TRP  18          2HB       TRP  18  -0.694   7.531   1.784
  116    HD1  TRP  18           HD1      TRP  18  -1.910   7.241   4.242
  117    HE1  TRP  18           HE1      TRP  18  -4.029   8.457   5.045
  118    HE3  TRP  18           HE3      TRP  18  -3.987   8.514  -0.319
  119    HZ2  TRP  18           HZ2      TRP  18  -6.358   9.654   3.904
  120    HZ3  TRP  18           HZ3      TRP  18  -6.144   9.673  -0.392
  121    HH2  TRP  18           HH2      TRP  18  -7.350  10.252   1.696
  122    H    GLY  19           H        GLY  19  -0.704   5.232  -1.589
  123   1HA   GLY  19          1HA       GLY  19   1.252   4.804  -2.770
  124   2HA   GLY  19          2HA       GLY  19   1.934   6.344  -2.240
  125    H    TYR  20           H        TYR  20   0.623   4.065   0.073
  126    HA   TYR  20           HA       TYR  20   3.346   3.382   1.101
  127   1HB   TYR  20          1HB       TYR  20   1.247   4.873   2.349
  128   2HB   TYR  20          2HB       TYR  20   1.704   3.596   3.259
  129    HD1  TYR  20           HD1      TYR  20   3.424   3.832   4.839
  130    HD2  TYR  20           HD2      TYR  20   3.217   6.363   1.344
  131    HE1  TYR  20           HE1      TYR  20   5.425   5.095   5.625
  132    HE2  TYR  20           HE2      TYR  20   5.235   7.594   2.128
  133    HH   TYR  20           HH       TYR  20   6.821   7.766   3.647
  134    H    CYS  21           H        CYS  21   3.490   1.525   2.432
  135    HA   CYS  21           HA       CYS  21   1.493  -0.583   1.742
  136   1HB   CYS  21          1HB       CYS  21   4.384  -0.801   2.282
  137   2HB   CYS  21          2HB       CYS  21   3.400  -2.021   1.824
  138    H    GLY  22           H        GLY  22   1.379  -2.494   3.179
  139   1HA   GLY  22          1HA       GLY  22   1.618  -2.983   5.748
  140   2HA   GLY  22          2HA       GLY  22   0.541  -1.567   5.744
  141    H    LYS  23           H        LYS  23  -0.932  -3.327   6.562
  142    HA   LYS  23           HA       LYS  23  -2.588  -4.504   4.432
  143   1HB   LYS  23          1HB       LYS  23  -1.610  -5.890   6.870
  144   2HB   LYS  23          2HB       LYS  23  -2.729  -6.496   5.846
  145   1HG   LYS  23          1HG       LYS  23   0.048  -6.126   5.227
  146   2HG   LYS  23          2HG       LYS  23  -0.669  -7.563   5.526
  147   1HD   LYS  23          1HD       LYS  23  -1.273  -5.913   3.251
  148   2HD   LYS  23          2HD       LYS  23  -0.285  -7.212   3.198
  149   1HE   LYS  23          1HE       LYS  23  -2.189  -8.576   3.864
  150   2HE   LYS  23          2HE       LYS  23  -3.130  -7.257   3.656
  151   1HZ   LYS  23          1HZ       LYS  23  -1.558  -8.491   1.594
  152   2HZ   LYS  23          2HZ       LYS  23  -3.200  -8.642   1.723
  153   3HZ   LYS  23          3HZ       LYS  23  -2.501  -7.196   1.345
  154    H    GLY  24           H        GLY  24  -4.794  -5.003   5.257
  155   1HA   GLY  24          1HA       GLY  24  -6.536  -4.771   6.854
  156   2HA   GLY  24          2HA       GLY  24  -5.591  -3.577   7.743
  157    HA   PRO  25           HA       PRO  25  -9.087  -1.886   5.151
  158   1HB   PRO  25          1HB       PRO  25  -9.389  -0.098   7.466
  159   2HB   PRO  25          2HB       PRO  25 -10.548  -0.825   6.574
  160   1HG   PRO  25          1HG       PRO  25  -9.927  -1.857   8.863
  161   2HG   PRO  25          2HG       PRO  25 -10.225  -2.864   7.612
  162   1HD   PRO  25          1HD       PRO  25  -7.658  -2.056   8.640
  163   2HD   PRO  25          2HD       PRO  25  -8.091  -3.538   8.106
  164    H    LYS  26           H        LYS  26  -6.216  -0.289   6.165
  165    HA   LYS  26           HA       LYS  26  -6.869   2.299   4.855
  166   1HB   LYS  26          1HB       LYS  26  -5.292   1.670   6.967
  167   2HB   LYS  26          2HB       LYS  26  -4.181   1.843   5.782
  168   1HG   LYS  26          1HG       LYS  26  -6.068   3.906   6.416
  169   2HG   LYS  26          2HG       LYS  26  -4.597   3.829   7.120
  170   1HD   LYS  26          1HD       LYS  26  -4.138   5.301   5.529
  171   2HD   LYS  26          2HD       LYS  26  -3.802   3.933   4.702
  172   1HE   LYS  26          1HE       LYS  26  -6.028   4.009   3.774
  173   2HE   LYS  26          2HE       LYS  26  -6.247   5.450   4.511
  174   1HZ   LYS  26          1HZ       LYS  26  -4.239   4.929   2.518
  175   2HZ   LYS  26          2HZ       LYS  26  -5.629   5.678   2.195
  176   3HZ   LYS  26          3HZ       LYS  26  -4.525   6.406   3.204
  177    H    TYR  27           H        TYR  27  -5.879  -0.713   4.034
  178    HA   TYR  27           HA       TYR  27  -4.036   0.003   1.796
  179   1HB   TYR  27          1HB       TYR  27  -3.988  -2.115   3.868
  180   2HB   TYR  27          2HB       TYR  27  -2.957  -2.064   2.603
  181    HD1  TYR  27           HD1      TYR  27  -3.443  -1.093   5.967
  182    HD2  TYR  27           HD2      TYR  27  -1.453  -0.025   2.295
  183    HE1  TYR  27           HE1      TYR  27  -1.719   0.172   7.258
  184    HE2  TYR  27           HE2      TYR  27   0.159   1.357   3.578
  185    HH   TYR  27           HH       TYR  27   1.202   1.107   5.724
  186    H    CYS  28           H        CYS  28  -5.960  -2.683   3.123
  187    HA   CYS  28           HA       CYS  28  -6.523  -3.809   0.435
  188   1HB   CYS  28          1HB       CYS  28  -6.507  -4.722   3.215
  189   2HB   CYS  28          2HB       CYS  28  -7.409  -5.543   2.129
  190    H    GLY  29           H        GLY  29  -8.087  -1.669   2.551
  191   1HA   GLY  29          1HA       GLY  29 -10.278  -0.910   2.695
  192   2HA   GLY  29          2HA       GLY  29 -10.752  -2.048   1.434
  193    H    ARG  30           H        ARG  30  -9.290  -4.080   3.495
  194    HA   ARG  30           HA       ARG  30 -11.159  -4.245   5.699
  195   1HB   ARG  30          1HB       ARG  30 -11.652  -5.768   3.485
  196   2HB   ARG  30          2HB       ARG  30 -10.765  -6.795   4.395
  197   1HG   ARG  30          1HG       ARG  30 -12.948  -5.553   5.700
  198   2HG   ARG  30          2HG       ARG  30 -13.332  -6.675   4.576
  199   1HD   ARG  30          1HD       ARG  30 -13.290  -7.602   6.778
  200   2HD   ARG  30          2HD       ARG  30 -12.211  -8.337   5.797
  201    HE   ARG  30           HE       ARG  30 -10.777  -6.350   6.963
  202   1HH1  ARG  30          1HH1      ARG  30 -12.279  -9.242   8.319
  203   2HH1  ARG  30          2HH1      ARG  30 -11.013  -9.362   9.495
  204   1HH2  ARG  30          1HH2      ARG  30  -9.319  -6.549   8.346
  205   2HH2  ARG  30          2HH2      ARG  30  -9.332  -7.833   9.509
  Start of MODEL   15
    1   1H    VAL   1          1H        VAL   1   9.201   9.248  -2.682
    2   2H    VAL   1          2H        VAL   1   9.470  10.710  -1.936
    3   3H    VAL   1          3H        VAL   1   8.388   9.587  -1.354
    4    HA   VAL   1           HA       VAL   1  11.289   9.201  -1.553
    5    HB   VAL   1           HB       VAL   1  11.362   9.208   0.922
    6   1HG1  VAL   1          1HG1      VAL   1  12.186  11.035  -0.535
    7   2HG1  VAL   1          2HG1      VAL   1  10.600  11.841  -0.419
    8   3HG1  VAL   1          3HG1      VAL   1  11.604  11.624   1.024
    9   1HG2  VAL   1          1HG2      VAL   1   9.007   9.092   1.608
   10   2HG2  VAL   1          2HG2      VAL   1   9.703  10.612   2.130
   11   3HG2  VAL   1          3HG2      VAL   1   8.636  10.593   0.721
   12    H    GLY   2           H        GLY   2   8.584   7.757   0.331
   13   1HA   GLY   2          1HA       GLY   2   9.890   5.099  -0.166
   14   2HA   GLY   2          2HA       GLY   2   9.000   5.544   1.279
   15    H    GLU   3           H        GLU   3   7.258   6.748  -1.308
   16    HA   GLU   3           HA       GLU   3   5.126   4.969  -1.064
   17   1HB   GLU   3          1HB       GLU   3   4.295   6.041  -3.097
   18   2HB   GLU   3          2HB       GLU   3   4.698   7.067  -1.892
   19   1HG   GLU   3          1HG       GLU   3   6.182   6.737  -4.323
   20   2HG   GLU   3          2HG       GLU   3   5.189   7.991  -3.993
   21    H    CYS   4           H        CYS   4   4.116   3.571  -2.470
   22    HA   CYS   4           HA       CYS   4   5.212   1.185  -2.715
   23   1HB   CYS   4          1HB       CYS   4   3.251   2.243  -4.654
   24   2HB   CYS   4          2HB       CYS   4   3.463   0.668  -4.280
   25    H    VAL   5           H        VAL   5   6.716   0.127  -3.837
   26    HA   VAL   5           HA       VAL   5   8.964   0.789  -4.570
   27    HB   VAL   5           HB       VAL   5   7.531  -0.910  -6.641
   28   1HG1  VAL   5          1HG1      VAL   5   9.710  -0.127  -7.571
   29   2HG1  VAL   5          2HG1      VAL   5  10.519  -0.576  -6.063
   30   3HG1  VAL   5          3HG1      VAL   5   9.816  -1.825  -7.110
   31   1HG2  VAL   5          1HG2      VAL   5   8.486  -2.789  -5.367
   32   2HG2  VAL   5          2HG2      VAL   5   9.214  -1.656  -4.206
   33   3HG2  VAL   5          3HG2      VAL   5   7.456  -1.812  -4.322
   34    H    ARG   6           H        ARG   6   7.558   0.748  -7.754
   35    HA   ARG   6           HA       ARG   6   6.947   3.585  -7.697
   36   1HB   ARG   6          1HB       ARG   6   8.427   2.428  -9.981
   37   2HB   ARG   6          2HB       ARG   6   7.573   3.817 -10.071
   38   1HG   ARG   6          1HG       ARG   6   9.882   3.471  -8.394
   39   2HG   ARG   6          2HG       ARG   6   9.925   4.184  -9.862
   40   1HD   ARG   6          1HD       ARG   6   9.879   5.990  -8.530
   41   2HD   ARG   6          2HD       ARG   6   8.283   5.803  -8.823
   42    HE   ARG   6           HE       ARG   6   8.864   4.315  -6.587
   43   1HH1  ARG   6          1HH1      ARG   6   8.815   7.820  -7.102
   44   2HH1  ARG   6          2HH1      ARG   6   8.637   8.071  -5.398
   45   1HH2  ARG   6          1HH2      ARG   6   8.576   4.802  -4.517
   46   2HH2  ARG   6          2HH2      ARG   6   8.509   6.459  -4.016
   47    H    GLY   7           H        GLY   7   5.547   1.375  -7.094
   48   1HA   GLY   7          1HA       GLY   7   3.108   1.675  -8.000
   49   2HA   GLY   7          2HA       GLY   7   3.669   0.616  -9.289
   50    H    ARG   8           H        ARG   8   5.329  -0.842  -6.932
   51    HA   ARG   8           HA       ARG   8   3.127  -2.609  -6.034
   52   1HB   ARG   8          1HB       ARG   8   5.983  -3.139  -6.635
   53   2HB   ARG   8          2HB       ARG   8   4.841  -4.264  -6.320
   54   1HG   ARG   8          1HG       ARG   8   4.746  -2.620  -8.673
   55   2HG   ARG   8          2HG       ARG   8   5.499  -4.068  -8.660
   56   1HD   ARG   8          1HD       ARG   8   3.428  -4.475  -9.578
   57   2HD   ARG   8          2HD       ARG   8   3.332  -5.051  -8.053
   58    HE   ARG   8           HE       ARG   8   2.513  -2.385  -8.059
   59   1HH1  ARG   8          1HH1      ARG   8   1.078  -5.463  -8.997
   60   2HH1  ARG   8          2HH1      ARG   8  -0.515  -4.834  -8.742
   61   1HH2  ARG   8          1HH2      ARG   8   0.583  -1.695  -7.744
   62   2HH2  ARG   8          2HH2      ARG   8  -0.794  -2.704  -8.033
   63    H    CYS   9           H        CYS   9   3.965  -4.161  -4.245
   64    HA   CYS   9           HA       CYS   9   5.559  -2.971  -2.149
   65   1HB   CYS   9          1HB       CYS   9   2.629  -3.306  -1.952
   66   2HB   CYS   9          2HB       CYS   9   3.579  -3.288  -0.623
   67    HA   PRO  10           HA       PRO  10   6.427  -7.153  -1.136
   68   1HB   PRO  10          1HB       PRO  10   5.254  -6.898   1.558
   69   2HB   PRO  10          2HB       PRO  10   6.722  -7.475   1.135
   70   1HG   PRO  10          1HG       PRO  10   6.581  -5.061   2.029
   71   2HG   PRO  10          2HG       PRO  10   7.569  -5.351   0.761
   72   1HD   PRO  10          1HD       PRO  10   4.914  -4.232   0.697
   73   2HD   PRO  10          2HD       PRO  10   6.207  -3.768  -0.188
   74    H    SER  11           H        SER  11   5.787  -9.283  -0.064
   75    HA   SER  11           HA       SER  11   3.788 -10.532  -1.518
   76   1HB   SER  11          1HB       SER  11   5.575 -11.661  -0.316
   77   2HB   SER  11          2HB       SER  11   4.807 -11.428   1.107
   78    HG   SER  11           HG       SER  11   4.353 -13.472   0.210
   79    H    GLY  12           H        GLY  12   1.674 -10.500  -1.502
   80   1HA   GLY  12          1HA       GLY  12  -0.522 -10.183  -0.898
   81   2HA   GLY  12          2HA       GLY  12  -0.063 -10.726   0.715
   82    H    MET  13           H        MET  13   1.370  -7.773  -0.719
   83    HA   MET  13           HA       MET  13   0.474  -5.969   1.222
   84   1HB   MET  13          1HB       MET  13   1.131  -4.346  -0.430
   85   2HB   MET  13          2HB       MET  13   2.238  -5.542  -0.317
   86   1HG   MET  13          1HG       MET  13   2.170  -5.471  -2.517
   87   2HG   MET  13          2HG       MET  13   0.866  -6.436  -2.318
   88   1HE   MET  13          1HE       MET  13  -0.122  -4.336  -5.434
   89   2HE   MET  13          2HE       MET  13   1.494  -4.946  -5.001
   90   3HE   MET  13          3HE       MET  13   0.064  -5.985  -4.790
   91    H    CYS  14           H        CYS  14  -0.761  -4.121   0.974
   92    HA   CYS  14           HA       CYS  14  -2.611  -3.825  -1.305
   93   1HB   CYS  14          1HB       CYS  14  -3.380  -3.441   1.518
   94   2HB   CYS  14          2HB       CYS  14  -4.175  -2.729   0.281
   95    H    CYS  15           H        CYS  15  -1.020  -2.420  -2.170
   96    HA   CYS  15           HA       CYS  15   0.282  -0.226  -0.934
   97   1HB   CYS  15          1HB       CYS  15   0.753  -0.884  -3.161
   98   2HB   CYS  15          2HB       CYS  15  -0.770  -0.590  -3.673
   99    H    SER  16           H        SER  16  -0.612   1.393   0.240
  100    HA   SER  16           HA       SER  16  -3.439   1.614   0.467
  101   1HB   SER  16          1HB       SER  16  -2.001   2.172   2.272
  102   2HB   SER  16          2HB       SER  16  -1.293   3.395   1.454
  103    HG   SER  16           HG       SER  16  -2.788   4.186   2.974
  104    H    GLN  17           H        GLN  17  -4.748   3.416   0.246
  105    HA   GLN  17           HA       GLN  17  -5.078   4.748  -2.180
  106   1HB   GLN  17          1HB       GLN  17  -5.940   6.038   0.287
  107   2HB   GLN  17          2HB       GLN  17  -6.774   5.778  -1.093
  108   1HG   GLN  17          1HG       GLN  17  -7.904   4.457   0.281
  109   2HG   GLN  17          2HG       GLN  17  -6.804   3.386  -0.277
  110   1HE2  GLN  17          1HE2      GLN  17  -5.811   2.014   1.371
  111   2HE2  GLN  17          2HE2      GLN  17  -5.845   2.664   2.986
  112    H    TRP  18           H        TRP  18  -3.033   5.621   0.528
  113    HA   TRP  18           HA       TRP  18  -2.435   8.312  -0.496
  114   1HB   TRP  18          1HB       TRP  18  -1.530   7.020   1.991
  115   2HB   TRP  18          2HB       TRP  18  -1.641   8.618   1.673
  116    HD1  TRP  18           HD1      TRP  18  -3.329   5.993   3.398
  117    HE1  TRP  18           HE1      TRP  18  -5.848   6.335   3.668
  118    HE3  TRP  18           HE3      TRP  18  -3.973  10.097   0.396
  119    HZ2  TRP  18           HZ2      TRP  18  -7.802   8.360   3.068
  120    HZ3  TRP  18           HZ3      TRP  18  -6.193  11.190   0.236
  121    HH2  TRP  18           HH2      TRP  18  -8.113  10.349   1.578
  122    H    GLY  19           H        GLY  19  -1.305   5.340  -1.275
  123   1HA   GLY  19          1HA       GLY  19   0.379   5.009  -2.800
  124   2HA   GLY  19          2HA       GLY  19   1.175   6.496  -2.299
  125    H    TYR  20           H        TYR  20   0.553   4.434   0.414
  126    HA   TYR  20           HA       TYR  20   3.426   3.566   0.321
  127   1HB   TYR  20          1HB       TYR  20   1.902   4.858   2.445
  128   2HB   TYR  20          2HB       TYR  20   3.171   3.903   2.825
  129    HD1  TYR  20           HD1      TYR  20   2.263   6.843   0.777
  130    HD2  TYR  20           HD2      TYR  20   5.409   4.708   2.825
  131    HE1  TYR  20           HE1      TYR  20   3.894   8.581   0.087
  132    HE2  TYR  20           HE2      TYR  20   7.010   6.499   2.203
  133    HH   TYR  20           HH       TYR  20   7.000   8.111  -0.154
  134    H    CYS  21           H        CYS  21   4.084   1.793   1.638
  135    HA   CYS  21           HA       CYS  21   2.364  -0.448   0.940
  136   1HB   CYS  21          1HB       CYS  21   5.168  -0.261   1.850
  137   2HB   CYS  21          2HB       CYS  21   4.440  -1.678   1.486
  138    H    GLY  22           H        GLY  22   1.983  -2.269   2.093
  139   1HA   GLY  22          1HA       GLY  22   2.312  -3.271   4.531
  140   2HA   GLY  22          2HA       GLY  22   1.201  -1.935   4.877
  141    H    LYS  23           H        LYS  23  -0.259  -3.797   5.471
  142    HA   LYS  23           HA       LYS  23  -2.231  -3.889   3.459
  143   1HB   LYS  23          1HB       LYS  23  -2.655  -6.217   3.374
  144   2HB   LYS  23          2HB       LYS  23  -1.194  -5.875   2.730
  145   1HG   LYS  23          1HG       LYS  23  -1.349  -6.893   5.385
  146   2HG   LYS  23          2HG       LYS  23  -1.437  -7.923   4.121
  147   1HD   LYS  23          1HD       LYS  23   0.749  -6.812   3.446
  148   2HD   LYS  23          2HD       LYS  23   0.833  -6.450   5.036
  149   1HE   LYS  23          1HE       LYS  23   1.955  -8.446   4.869
  150   2HE   LYS  23          2HE       LYS  23   0.485  -8.870   5.442
  151   1HZ   LYS  23          1HZ       LYS  23   0.719 -10.365   3.784
  152   2HZ   LYS  23          2HZ       LYS  23  -0.050  -9.136   2.971
  153   3HZ   LYS  23          3HZ       LYS  23   1.564  -9.337   2.831
  154    H    GLY  24           H        GLY  24  -4.260  -4.955   4.315
  155   1HA   GLY  24          1HA       GLY  24  -5.346  -5.732   6.453
  156   2HA   GLY  24          2HA       GLY  24  -4.583  -4.334   7.227
  157    HA   PRO  25           HA       PRO  25  -9.019  -3.836   5.532
  158   1HB   PRO  25          1HB       PRO  25  -9.356  -2.605   8.189
  159   2HB   PRO  25          2HB       PRO  25 -10.421  -3.497   7.329
  160   1HG   PRO  25          1HG       PRO  25  -9.095  -4.664   9.212
  161   2HG   PRO  25          2HG       PRO  25  -9.323  -5.476   7.814
  162   1HD   PRO  25          1HD       PRO  25  -6.950  -4.100   8.678
  163   2HD   PRO  25          2HD       PRO  25  -7.037  -5.498   7.839
  164    H    LYS  26           H        LYS  26  -6.777  -1.410   6.699
  165    HA   LYS  26           HA       LYS  26  -8.319   0.714   5.283
  166   1HB   LYS  26          1HB       LYS  26  -7.251   0.714   7.960
  167   2HB   LYS  26          2HB       LYS  26  -6.825   2.037   7.103
  168   1HG   LYS  26          1HG       LYS  26  -9.501   1.208   7.743
  169   2HG   LYS  26          2HG       LYS  26  -8.753   2.558   8.277
  170   1HD   LYS  26          1HD       LYS  26  -9.823   2.111   5.649
  171   2HD   LYS  26          2HD       LYS  26 -10.291   3.256   6.716
  172   1HE   LYS  26          1HE       LYS  26  -8.685   4.655   6.106
  173   2HE   LYS  26          2HE       LYS  26  -7.605   3.456   5.856
  174   1HZ   LYS  26          1HZ       LYS  26  -8.138   4.471   3.759
  175   2HZ   LYS  26          2HZ       LYS  26  -8.675   2.942   3.780
  176   3HZ   LYS  26          3HZ       LYS  26  -9.743   4.129   4.008
  177    H    TYR  27           H        TYR  27  -5.632  -1.096   5.134
  178    HA   TYR  27           HA       TYR  27  -4.115   0.737   3.381
  179   1HB   TYR  27          1HB       TYR  27  -3.845  -1.972   4.432
  180   2HB   TYR  27          2HB       TYR  27  -3.217  -1.688   2.951
  181    HD1  TYR  27           HD1      TYR  27  -2.669  -1.401   6.467
  182    HD2  TYR  27           HD2      TYR  27  -1.484   0.071   2.590
  183    HE1  TYR  27           HE1      TYR  27  -0.554  -0.493   7.440
  184    HE2  TYR  27           HE2      TYR  27   0.550   1.063   3.580
  185    HH   TYR  27           HH       TYR  27   2.018   0.589   5.364
  186    H    CYS  28           H        CYS  28  -6.042  -2.316   3.228
  187    HA   CYS  28           HA       CYS  28  -6.414  -2.249   0.389
  188   1HB   CYS  28          1HB       CYS  28  -7.930  -3.748   2.426
  189   2HB   CYS  28          2HB       CYS  28  -7.743  -4.139   0.851
  190    H    GLY  29           H        GLY  29  -8.640  -1.329   3.137
  191   1HA   GLY  29          1HA       GLY  29 -10.803  -0.652   1.314
  192   2HA   GLY  29          2HA       GLY  29 -10.745  -0.408   3.064
  193    H    ARG  30           H        ARG  30 -11.582   1.383   0.830
  194    HA   ARG  30           HA       ARG  30  -9.657   3.358   0.332
  195   1HB   ARG  30          1HB       ARG  30 -11.857   2.936  -0.857
  196   2HB   ARG  30          2HB       ARG  30 -12.518   3.981   0.209
  197   1HG   ARG  30          1HG       ARG  30 -10.199   4.810  -1.238
  198   2HG   ARG  30          2HG       ARG  30 -11.639   4.841  -2.010
  199   1HD   ARG  30          1HD       ARG  30 -12.411   6.555  -0.756
  200   2HD   ARG  30          2HD       ARG  30 -11.352   6.266   0.454
  201    HE   ARG  30           HE       ARG  30 -10.851   7.758  -1.946
  202   1HH1  ARG  30          1HH1      ARG  30  -9.352   6.541   1.027
  203   2HH1  ARG  30          2HH1      ARG  30  -8.004   7.614   0.853
  204   1HH2  ARG  30          1HH2      ARG  30  -9.052   9.069  -2.043
  205   2HH2  ARG  30          2HH2      ARG  30  -7.841   8.981  -0.808
  Start of MODEL   16
    1   1H    VAL   1          1H        VAL   1   8.428  10.705  -1.539
    2   2H    VAL   1          2H        VAL   1   7.715   9.932  -0.251
    3   3H    VAL   1          3H        VAL   1   7.850   9.170  -1.714
    4    HA   VAL   1           HA       VAL   1  10.114   8.957  -1.623
    5    HB   VAL   1           HB       VAL   1  11.421   9.646   0.362
    6   1HG1  VAL   1          1HG1      VAL   1  11.720  11.941  -0.372
    7   2HG1  VAL   1          2HG1      VAL   1  11.422  10.910  -1.775
    8   3HG1  VAL   1          3HG1      VAL   1  10.129  11.963  -1.148
    9   1HG2  VAL   1          1HG2      VAL   1   9.005  11.381   1.081
   10   2HG2  VAL   1          2HG2      VAL   1   9.652  10.028   2.041
   11   3HG2  VAL   1          3HG2      VAL   1  10.622  11.478   1.799
   12    H    GLY   2           H        GLY   2  10.493   6.870  -1.232
   13   1HA   GLY   2          1HA       GLY   2  10.399   4.783  -0.217
   14   2HA   GLY   2          2HA       GLY   2   9.757   5.521   1.247
   15    H    GLU   3           H        GLU   3   7.933   6.357  -1.571
   16    HA   GLU   3           HA       GLU   3   5.578   4.990  -0.749
   17   1HB   GLU   3          1HB       GLU   3   4.704   5.902  -2.751
   18   2HB   GLU   3          2HB       GLU   3   5.633   7.032  -2.023
   19   1HG   GLU   3          1HG       GLU   3   6.522   5.557  -4.317
   20   2HG   GLU   3          2HG       GLU   3   5.764   6.998  -4.441
   21    H    CYS   4           H        CYS   4   4.277   3.622  -2.255
   22    HA   CYS   4           HA       CYS   4   5.197   1.030  -2.589
   23   1HB   CYS   4          1HB       CYS   4   3.186   2.407  -4.250
   24   2HB   CYS   4          2HB       CYS   4   3.309   0.791  -4.044
   25    H    VAL   5           H        VAL   5   5.984  -0.239  -4.237
   26    HA   VAL   5           HA       VAL   5   8.434   0.409  -4.901
   27    HB   VAL   5           HB       VAL   5   6.705  -1.451  -6.544
   28   1HG1  VAL   5          1HG1      VAL   5   8.839  -2.576  -7.200
   29   2HG1  VAL   5          2HG1      VAL   5   8.684  -0.970  -7.910
   30   3HG1  VAL   5          3HG1      VAL   5   9.744  -1.215  -6.506
   31   1HG2  VAL   5          1HG2      VAL   5   8.709  -1.969  -4.299
   32   2HG2  VAL   5          2HG2      VAL   5   6.951  -2.001  -4.113
   33   3HG2  VAL   5          3HG2      VAL   5   7.742  -3.197  -5.145
   34    H    ARG   6           H        ARG   6   6.373   0.313  -7.753
   35    HA   ARG   6           HA       ARG   6   6.540   3.231  -7.904
   36   1HB   ARG   6          1HB       ARG   6   6.736   1.534 -10.318
   37   2HB   ARG   6          2HB       ARG   6   6.232   3.087 -10.369
   38   1HG   ARG   6          1HG       ARG   6   8.877   2.259  -9.616
   39   2HG   ARG   6          2HG       ARG   6   8.478   2.881 -11.072
   40   1HD   ARG   6          1HD       ARG   6   9.371   4.691 -10.056
   41   2HD   ARG   6          2HD       ARG   6   7.786   4.908  -9.726
   42    HE   ARG   6           HE       ARG   6   9.002   3.337  -7.750
   43   1HH1  ARG   6          1HH1      ARG   6   8.535   6.824  -8.281
   44   2HH1  ARG   6          2HH1      ARG   6   8.621   7.073  -6.569
   45   1HH2  ARG   6          1HH2      ARG   6   9.051   3.800  -5.745
   46   2HH2  ARG   6          2HH2      ARG   6   8.898   5.436  -5.198
   47    H    GLY   7           H        GLY   7   4.859   1.171  -6.705
   48   1HA   GLY   7          1HA       GLY   7   2.422   2.093  -6.552
   49   2HA   GLY   7          2HA       GLY   7   2.241   1.387  -8.153
   50    H    ARG   8           H        ARG   8   4.098  -0.943  -7.113
   51    HA   ARG   8           HA       ARG   8   2.004  -2.499  -5.717
   52   1HB   ARG   8          1HB       ARG   8   3.201  -4.367  -6.522
   53   2HB   ARG   8          2HB       ARG   8   2.879  -3.381  -7.784
   54   1HG   ARG   8          1HG       ARG   8   5.113  -2.751  -7.943
   55   2HG   ARG   8          2HG       ARG   8   5.478  -3.532  -6.556
   56   1HD   ARG   8          1HD       ARG   8   6.208  -4.830  -8.389
   57   2HD   ARG   8          2HD       ARG   8   5.004  -5.620  -7.618
   58    HE   ARG   8           HE       ARG   8   3.579  -5.365  -9.393
   59   1HH1  ARG   8          1HH1      ARG   8   6.624  -3.733 -10.092
   60   2HH1  ARG   8          2HH1      ARG   8   6.225  -3.545 -11.767
   61   1HH2  ARG   8          1HH2      ARG   8   3.146  -5.064 -11.550
   62   2HH2  ARG   8          2HH2      ARG   8   4.304  -4.280 -12.572
   63    H    CYS   9           H        CYS   9   3.157  -4.294  -4.311
   64    HA   CYS   9           HA       CYS   9   4.971  -2.954  -2.388
   65   1HB   CYS   9          1HB       CYS   9   2.232  -3.976  -1.976
   66   2HB   CYS   9          2HB       CYS   9   3.268  -3.821  -0.723
   67    HA   PRO  10           HA       PRO  10   6.959  -6.828  -1.550
   68   1HB   PRO  10          1HB       PRO  10   6.068  -6.597   1.251
   69   2HB   PRO  10          2HB       PRO  10   7.561  -6.930   0.676
   70   1HG   PRO  10          1HG       PRO  10   7.067  -4.528   1.493
   71   2HG   PRO  10          2HG       PRO  10   7.970  -4.717   0.145
   72   1HD   PRO  10          1HD       PRO  10   5.174  -4.052   0.305
   73   2HD   PRO  10          2HD       PRO  10   6.276  -3.461  -0.745
   74    H    SER  11           H        SER  11   6.706  -9.058  -0.705
   75    HA   SER  11           HA       SER  11   4.889 -10.525  -1.861
   76   1HB   SER  11          1HB       SER  11   6.075 -11.206   0.752
   77   2HB   SER  11          2HB       SER  11   5.555 -12.263  -0.379
   78    HG   SER  11           HG       SER  11   7.772 -12.009  -0.546
   79    H    GLY  12           H        GLY  12   2.766  -9.925  -1.887
   80   1HA   GLY  12          1HA       GLY  12   0.576 -10.501  -1.340
   81   2HA   GLY  12          2HA       GLY  12   1.113 -11.092   0.229
   82    H    MET  13           H        MET  13   2.280  -7.885  -0.130
   83    HA   MET  13           HA       MET  13   0.259  -6.838   1.726
   84   1HB   MET  13          1HB       MET  13   2.690  -5.696   0.473
   85   2HB   MET  13          2HB       MET  13   1.754  -4.877   1.532
   86   1HG   MET  13          1HG       MET  13   3.119  -7.330   2.166
   87   2HG   MET  13          2HG       MET  13   3.673  -5.851   2.580
   88   1HE   MET  13          1HE       MET  13   3.359  -8.321   4.564
   89   2HE   MET  13          2HE       MET  13   4.044  -6.758   5.069
   90   3HE   MET  13          3HE       MET  13   2.723  -7.493   6.005
   91    H    CYS  14           H        CYS  14  -0.449  -4.519   1.319
   92    HA   CYS  14           HA       CYS  14  -1.589  -4.107  -1.412
   93   1HB   CYS  14          1HB       CYS  14  -2.704  -3.542   1.271
   94   2HB   CYS  14          2HB       CYS  14  -3.363  -3.000  -0.122
   95    H    CYS  15           H        CYS  15  -1.173  -2.120  -2.296
   96    HA   CYS  15           HA       CYS  15   0.337  -0.056  -0.851
   97   1HB   CYS  15          1HB       CYS  15   0.570  -0.468  -3.264
   98   2HB   CYS  15          2HB       CYS  15  -0.958   0.055  -3.507
   99    H    SER  16           H        SER  16  -0.692   1.220   0.623
  100    HA   SER  16           HA       SER  16  -3.559   1.721   0.624
  101   1HB   SER  16          1HB       SER  16  -2.018   2.069   2.584
  102   2HB   SER  16          2HB       SER  16  -1.476   3.428   1.859
  103    HG   SER  16           HG       SER  16  -3.154   3.905   3.336
  104    H    GLN  17           H        GLN  17  -4.584   3.584   0.076
  105    HA   GLN  17           HA       GLN  17  -3.769   4.799  -2.406
  106   1HB   GLN  17          1HB       GLN  17  -6.057   5.421  -0.640
  107   2HB   GLN  17          2HB       GLN  17  -5.913   5.847  -2.211
  108   1HG   GLN  17          1HG       GLN  17  -7.389   4.044  -2.094
  109   2HG   GLN  17          2HG       GLN  17  -6.019   3.518  -2.812
  110   1HE2  GLN  17          1HE2      GLN  17  -5.796   1.283  -2.292
  111   2HE2  GLN  17          2HE2      GLN  17  -5.735   0.809  -0.603
  112    H    TRP  18           H        TRP  18  -2.846   5.511   0.730
  113    HA   TRP  18           HA       TRP  18  -2.180   8.349   0.404
  114   1HB   TRP  18          1HB       TRP  18  -1.281   6.255   2.294
  115   2HB   TRP  18          2HB       TRP  18  -0.893   7.838   2.402
  116    HD1  TRP  18           HD1      TRP  18  -3.598   9.245   2.202
  117    HE1  TRP  18           HE1      TRP  18  -5.319   9.044   4.103
  118    HE3  TRP  18           HE3      TRP  18  -1.890   4.949   4.416
  119    HZ2  TRP  18           HZ2      TRP  18  -5.886   7.259   6.286
  120    HZ3  TRP  18           HZ3      TRP  18  -3.047   4.017   6.399
  121    HH2  TRP  18           HH2      TRP  18  -5.034   5.165   7.351
  122    H    GLY  19           H        GLY  19  -0.958   5.395  -0.908
  123   1HA   GLY  19          1HA       GLY  19   0.769   5.344  -2.495
  124   2HA   GLY  19          2HA       GLY  19   1.563   6.718  -1.733
  125    H    TYR  20           H        TYR  20   0.608   4.269   0.551
  126    HA   TYR  20           HA       TYR  20   3.421   3.239   0.617
  127   1HB   TYR  20          1HB       TYR  20   1.916   4.509   2.801
  128   2HB   TYR  20          2HB       TYR  20   3.235   3.582   3.066
  129    HD1  TYR  20           HD1      TYR  20   5.512   4.290   2.498
  130    HD2  TYR  20           HD2      TYR  20   2.049   6.753   1.722
  131    HE1  TYR  20           HE1      TYR  20   6.984   6.204   2.005
  132    HE2  TYR  20           HE2      TYR  20   3.538   8.663   1.167
  133    HH   TYR  20           HH       TYR  20   5.632   9.396   0.961
  134    H    CYS  21           H        CYS  21   3.814   1.262   1.542
  135    HA   CYS  21           HA       CYS  21   1.701  -0.626   1.003
  136   1HB   CYS  21          1HB       CYS  21   4.533  -0.927   1.790
  137   2HB   CYS  21          2HB       CYS  21   3.574  -2.177   1.357
  138    H    GLY  22           H        GLY  22   0.795  -2.198   2.272
  139   1HA   GLY  22          1HA       GLY  22   1.629  -3.139   4.791
  140   2HA   GLY  22          2HA       GLY  22   0.483  -1.824   5.089
  141    H    LYS  23           H        LYS  23  -0.895  -3.569   6.051
  142    HA   LYS  23           HA       LYS  23  -2.654  -4.735   4.027
  143   1HB   LYS  23          1HB       LYS  23  -0.928  -6.287   5.315
  144   2HB   LYS  23          2HB       LYS  23  -2.075  -6.259   6.478
  145   1HG   LYS  23          1HG       LYS  23  -2.499  -8.142   5.205
  146   2HG   LYS  23          2HG       LYS  23  -3.655  -7.060   4.804
  147   1HD   LYS  23          1HD       LYS  23  -2.255  -6.439   2.885
  148   2HD   LYS  23          2HD       LYS  23  -1.331  -7.740   3.232
  149   1HE   LYS  23          1HE       LYS  23  -3.148  -9.191   2.903
  150   2HE   LYS  23          2HE       LYS  23  -4.177  -7.932   2.753
  151   1HZ   LYS  23          1HZ       LYS  23  -3.694  -8.882   0.638
  152   2HZ   LYS  23          2HZ       LYS  23  -3.140  -7.330   0.717
  153   3HZ   LYS  23          3HZ       LYS  23  -2.098  -8.589   0.888
  154    H    GLY  24           H        GLY  24  -4.752  -5.338   4.854
  155   1HA   GLY  24          1HA       GLY  24  -6.555  -5.167   6.373
  156   2HA   GLY  24          2HA       GLY  24  -5.679  -3.945   7.297
  157    HA   PRO  25           HA       PRO  25  -9.005  -2.205   4.452
  158   1HB   PRO  25          1HB       PRO  25 -10.740  -1.334   6.262
  159   2HB   PRO  25          2HB       PRO  25 -10.653  -2.925   5.903
  160   1HG   PRO  25          1HG       PRO  25  -9.415  -1.587   8.164
  161   2HG   PRO  25          2HG       PRO  25 -10.309  -2.953   8.209
  162   1HD   PRO  25          1HD       PRO  25  -7.712  -3.120   8.120
  163   2HD   PRO  25          2HD       PRO  25  -8.622  -4.231   7.343
  164    H    LYS  26           H        LYS  26  -6.508  -0.827   5.870
  165    HA   LYS  26           HA       LYS  26  -7.301   1.914   5.038
  166   1HB   LYS  26          1HB       LYS  26  -5.551   1.020   7.256
  167   2HB   LYS  26          2HB       LYS  26  -5.507   2.545   6.672
  168   1HG   LYS  26          1HG       LYS  26  -7.953   1.416   7.684
  169   2HG   LYS  26          2HG       LYS  26  -6.910   2.187   8.677
  170   1HD   LYS  26          1HD       LYS  26  -7.540   4.182   7.986
  171   2HD   LYS  26          2HD       LYS  26  -7.676   3.700   6.432
  172   1HE   LYS  26          1HE       LYS  26  -9.683   2.929   8.328
  173   2HE   LYS  26          2HE       LYS  26  -9.762   4.402   7.627
  174   1HZ   LYS  26          1HZ       LYS  26 -11.109   2.871   6.391
  175   2HZ   LYS  26          2HZ       LYS  26  -9.877   3.390   5.478
  176   3HZ   LYS  26          3HZ       LYS  26  -9.789   1.914   6.131
  177    H    TYR  27           H        TYR  27  -5.880  -0.733   4.029
  178    HA   TYR  27           HA       TYR  27  -3.746   0.568   2.435
  179   1HB   TYR  27          1HB       TYR  27  -3.652  -1.957   3.953
  180   2HB   TYR  27          2HB       TYR  27  -2.597  -1.616   2.754
  181    HD1  TYR  27           HD1      TYR  27  -3.564  -0.870   6.161
  182    HD2  TYR  27           HD2      TYR  27  -0.825   0.058   2.962
  183    HE1  TYR  27           HE1      TYR  27  -2.168   0.432   7.741
  184    HE2  TYR  27           HE2      TYR  27   0.572   1.378   4.550
  185    HH   TYR  27           HH       TYR  27  -0.259   1.700   8.000
  186    H    CYS  28           H        CYS  28  -5.526  -2.535   2.774
  187    HA   CYS  28           HA       CYS  28  -5.787  -2.964  -0.085
  188   1HB   CYS  28          1HB       CYS  28  -7.125  -4.247   2.209
  189   2HB   CYS  28          2HB       CYS  28  -7.014  -4.846   0.694
  190    H    GLY  29           H        GLY  29  -7.373  -0.825   1.959
  191   1HA   GLY  29          1HA       GLY  29  -9.206  -0.032  -0.069
  192   2HA   GLY  29          2HA       GLY  29 -10.053  -0.615   1.386
  193    H    ARG  30           H        ARG  30 -10.312   2.062   0.722
  194    HA   ARG  30           HA       ARG  30  -8.235   3.642   1.934
  195   1HB   ARG  30          1HB       ARG  30  -9.505   4.486   0.092
  196   2HB   ARG  30          2HB       ARG  30 -10.893   4.466   0.954
  197   1HG   ARG  30          1HG       ARG  30 -10.089   6.668   0.748
  198   2HG   ARG  30          2HG       ARG  30 -10.099   6.211   2.316
  199   1HD   ARG  30          1HD       ARG  30  -7.677   6.194   0.761
  200   2HD   ARG  30          2HD       ARG  30  -8.140   7.504   1.620
  201    HE   ARG  30           HE       ARG  30  -8.248   5.579   3.456
  202   1HH1  ARG  30          1HH1      ARG  30  -5.429   6.174   1.399
  203   2HH1  ARG  30          2HH1      ARG  30  -4.542   4.986   2.294
  204   1HH2  ARG  30          1HH2      ARG  30  -7.171   4.207   4.399
  205   2HH2  ARG  30          2HH2      ARG  30  -5.523   3.878   3.978
  Start of MODEL   17
    1   1H    VAL   1          1H        VAL   1   9.852   8.678  -2.768
    2   2H    VAL   1          2H        VAL   1  10.097  10.002  -1.782
    3   3H    VAL   1          3H        VAL   1   8.984   8.819  -1.433
    4    HA   VAL   1           HA       VAL   1  11.891   8.498  -1.483
    5    HB   VAL   1           HB       VAL   1  10.117   8.203   0.949
    6   1HG1  VAL   1          1HG1      VAL   1  12.239   6.888   1.000
    7   2HG1  VAL   1          2HG1      VAL   1  13.151   8.354   0.588
    8   3HG1  VAL   1          3HG1      VAL   1  12.292   8.233   2.135
    9   1HG2  VAL   1          1HG2      VAL   1  11.186  10.316   1.723
   10   2HG2  VAL   1          2HG2      VAL   1  11.891  10.542   0.111
   11   3HG2  VAL   1          3HG2      VAL   1  10.122  10.577   0.348
   12    H    GLY   2           H        GLY   2   9.798   6.307   0.326
   13   1HA   GLY   2          1HA       GLY   2  10.930   4.112  -1.291
   14   2HA   GLY   2          2HA       GLY   2   9.950   3.965   0.168
   15    H    GLU   3           H        GLU   3   7.810   5.497  -0.568
   16    HA   GLU   3           HA       GLU   3   5.615   4.958  -1.057
   17   1HB   GLU   3          1HB       GLU   3   6.812   5.006  -3.745
   18   2HB   GLU   3          2HB       GLU   3   5.200   4.966  -3.482
   19   1HG   GLU   3          1HG       GLU   3   5.786   7.158  -3.948
   20   2HG   GLU   3          2HG       GLU   3   5.370   7.081  -2.371
   21    H    CYS   4           H        CYS   4   4.139   3.527  -2.550
   22    HA   CYS   4           HA       CYS   4   4.674   0.660  -2.484
   23   1HB   CYS   4          1HB       CYS   4   2.914   2.258  -4.250
   24   2HB   CYS   4          2HB       CYS   4   2.865   0.635  -4.074
   25    H    VAL   5           H        VAL   5   6.109  -0.342  -3.701
   26    HA   VAL   5           HA       VAL   5   8.469   0.276  -4.254
   27    HB   VAL   5           HB       VAL   5   6.969  -1.244  -6.421
   28   1HG1  VAL   5          1HG1      VAL   5   9.152  -2.374  -6.827
   29   2HG1  VAL   5          2HG1      VAL   5   9.236  -0.664  -7.237
   30   3HG1  VAL   5          3HG1      VAL   5   9.941  -1.240  -5.712
   31   1HG2  VAL   5          1HG2      VAL   5   8.409  -2.198  -3.907
   32   2HG2  VAL   5          2HG2      VAL   5   6.659  -2.221  -4.181
   33   3HG2  VAL   5          3HG2      VAL   5   7.703  -3.243  -5.163
   34    H    ARG   6           H        ARG   6   7.018   0.474  -7.433
   35    HA   ARG   6           HA       ARG   6   7.017   3.402  -7.389
   36   1HB   ARG   6          1HB       ARG   6   8.134   1.855  -9.649
   37   2HB   ARG   6          2HB       ARG   6   7.546   3.367  -9.836
   38   1HG   ARG   6          1HG       ARG   6   9.826   2.702  -8.215
   39   2HG   ARG   6          2HG       ARG   6   9.913   3.360  -9.707
   40   1HD   ARG   6          1HD       ARG   6  10.162   5.231  -8.526
   41   2HD   ARG   6          2HD       ARG   6   8.530   5.210  -8.565
   42    HE   ARG   6           HE       ARG   6   9.348   3.720  -6.371
   43   1HH1  ARG   6          1HH1      ARG   6   8.836   7.170  -7.050
   44   2HH1  ARG   6          2HH1      ARG   6   8.816   7.497  -5.349
   45   1HH2  ARG   6          1HH2      ARG   6   9.386   4.330  -4.326
   46   2HH2  ARG   6          2HH2      ARG   6   9.107   5.987  -3.904
   47    H    GLY   7           H        GLY   7   5.165   1.286  -6.832
   48   1HA   GLY   7          1HA       GLY   7   2.821   2.177  -7.709
   49   2HA   GLY   7          2HA       GLY   7   3.212   1.153  -9.084
   50    H    ARG   8           H        ARG   8   4.479  -0.842  -6.813
   51    HA   ARG   8           HA       ARG   8   1.883  -1.945  -5.944
   52   1HB   ARG   8          1HB       ARG   8   2.683  -4.050  -6.541
   53   2HB   ARG   8          2HB       ARG   8   2.898  -3.097  -7.849
   54   1HG   ARG   8          1HG       ARG   8   5.156  -3.204  -7.704
   55   2HG   ARG   8          2HG       ARG   8   5.123  -3.639  -6.130
   56   1HD   ARG   8          1HD       ARG   8   4.226  -5.403  -8.231
   57   2HD   ARG   8          2HD       ARG   8   5.753  -5.444  -7.653
   58    HE   ARG   8           HE       ARG   8   4.071  -5.731  -5.465
   59   1HH1  ARG   8          1HH1      ARG   8   5.026  -7.772  -8.178
   60   2HH1  ARG   8          2HH1      ARG   8   4.659  -9.205  -7.278
   61   1HH2  ARG   8          1HH2      ARG   8   3.630  -7.520  -4.440
   62   2HH2  ARG   8          2HH2      ARG   8   3.877  -9.064  -5.184
   63    H    CYS   9           H        CYS   9   2.407  -3.861  -4.378
   64    HA   CYS   9           HA       CYS   9   4.504  -3.077  -2.423
   65   1HB   CYS   9          1HB       CYS   9   1.698  -3.846  -1.899
   66   2HB   CYS   9          2HB       CYS   9   2.850  -3.884  -0.742
   67    HA   PRO  10           HA       PRO  10   5.864  -7.215  -2.944
   68   1HB   PRO  10          1HB       PRO  10   6.600  -7.941  -0.444
   69   2HB   PRO  10          2HB       PRO  10   7.514  -6.995  -1.413
   70   1HG   PRO  10          1HG       PRO  10   5.821  -6.157   0.761
   71   2HG   PRO  10          2HG       PRO  10   7.274  -5.541   0.338
   72   1HD   PRO  10          1HD       PRO  10   5.058  -4.321  -0.341
   73   2HD   PRO  10          2HD       PRO  10   6.380  -4.238  -1.296
   74    H    SER  11           H        SER  11   5.260  -9.380  -2.705
   75    HA   SER  11           HA       SER  11   2.454  -9.636  -2.695
   76   1HB   SER  11          1HB       SER  11   4.509 -11.749  -2.821
   77   2HB   SER  11          2HB       SER  11   2.939 -11.938  -3.231
   78    HG   SER  11           HG       SER  11   4.171 -11.585  -5.035
   79    H    GLY  12           H        GLY  12   1.658  -9.078  -0.702
   80   1HA   GLY  12          1HA       GLY  12   0.576 -10.650   1.146
   81   2HA   GLY  12          2HA       GLY  12   2.251 -10.713   1.700
   82    H    MET  13           H        MET  13   2.452  -7.744   0.609
   83    HA   MET  13           HA       MET  13   0.965  -6.270   2.722
   84   1HB   MET  13          1HB       MET  13   3.167  -5.515   0.884
   85   2HB   MET  13          2HB       MET  13   2.387  -4.463   1.859
   86   1HG   MET  13          1HG       MET  13   3.910  -6.670   2.872
   87   2HG   MET  13          2HG       MET  13   4.544  -5.178   2.676
   88   1HE   MET  13          1HE       MET  13   4.996  -6.562   5.352
   89   2HE   MET  13          2HE       MET  13   5.473  -4.870   5.071
   90   3HE   MET  13          3HE       MET  13   4.527  -5.297   6.512
   91    H    CYS  14           H        CYS  14   0.038  -4.222   1.813
   92    HA   CYS  14           HA       CYS  14  -0.745  -4.227  -1.030
   93   1HB   CYS  14          1HB       CYS  14  -3.069  -3.743  -0.179
   94   2HB   CYS  14          2HB       CYS  14  -2.569  -5.296  -0.254
   95    H    CYS  15           H        CYS  15  -1.793  -2.141  -1.635
   96    HA   CYS  15           HA       CYS  15  -0.046   0.005  -0.574
   97   1HB   CYS  15          1HB       CYS  15   0.141  -0.751  -2.882
   98   2HB   CYS  15          2HB       CYS  15  -1.395  -0.288  -3.188
   99    H    SER  16           H        SER  16  -0.941   1.608   0.634
  100    HA   SER  16           HA       SER  16  -3.857   2.043   0.584
  101   1HB   SER  16          1HB       SER  16  -2.447   2.223   2.637
  102   2HB   SER  16          2HB       SER  16  -1.881   3.647   2.073
  103    HG   SER  16           HG       SER  16  -3.660   3.969   3.466
  104    H    GLN  17           H        GLN  17  -4.576   4.304   0.628
  105    HA   GLN  17           HA       GLN  17  -4.310   5.493  -2.000
  106   1HB   GLN  17          1HB       GLN  17  -5.683   6.643   0.351
  107   2HB   GLN  17          2HB       GLN  17  -5.977   6.971  -1.221
  108   1HG   GLN  17          1HG       GLN  17  -7.737   5.661  -0.559
  109   2HG   GLN  17          2HG       GLN  17  -6.779   4.656  -1.420
  110   1HE2  GLN  17          1HE2      GLN  17  -6.643   2.531  -0.501
  111   2HE2  GLN  17          2HE2      GLN  17  -6.462   2.418   1.262
  112    H    TRP  18           H        TRP  18  -2.641   5.962   0.958
  113    HA   TRP  18           HA       TRP  18  -1.547   8.614   0.480
  114   1HB   TRP  18          1HB       TRP  18  -0.610   6.425   2.232
  115   2HB   TRP  18          2HB       TRP  18  -0.230   8.008   2.360
  116    HD1  TRP  18           HD1      TRP  18  -2.911   9.420   2.421
  117    HE1  TRP  18           HE1      TRP  18  -4.564   9.110   4.362
  118    HE3  TRP  18           HE3      TRP  18  -1.161   4.979   4.298
  119    HZ2  TRP  18           HZ2      TRP  18  -5.052   7.209   6.467
  120    HZ3  TRP  18           HZ3      TRP  18  -2.238   3.957   6.284
  121    HH2  TRP  18           HH2      TRP  18  -4.163   5.061   7.382
  122    H    GLY  19           H        GLY  19  -1.064   5.638  -1.058
  123   1HA   GLY  19          1HA       GLY  19   0.450   5.094  -2.734
  124   2HA   GLY  19          2HA       GLY  19   1.353   6.581  -2.414
  125    H    TYR  20           H        TYR  20   0.667   4.354   0.206
  126    HA   TYR  20           HA       TYR  20   3.455   3.308   0.190
  127   1HB   TYR  20          1HB       TYR  20   2.188   4.962   2.216
  128   2HB   TYR  20          2HB       TYR  20   3.089   3.714   2.763
  129    HD1  TYR  20           HD1      TYR  20   3.203   6.731   0.674
  130    HD2  TYR  20           HD2      TYR  20   5.476   3.740   2.809
  131    HE1  TYR  20           HE1      TYR  20   5.307   7.930   0.123
  132    HE2  TYR  20           HE2      TYR  20   7.576   4.968   2.283
  133    HH   TYR  20           HH       TYR  20   8.506   6.685   1.249
  134    H    CYS  21           H        CYS  21   3.844   1.428   1.353
  135    HA   CYS  21           HA       CYS  21   1.659  -0.467   1.161
  136   1HB   CYS  21          1HB       CYS  21   4.516  -0.809   1.825
  137   2HB   CYS  21          2HB       CYS  21   3.471  -2.042   1.587
  138    H    GLY  22           H        GLY  22   1.146  -2.121   2.754
  139   1HA   GLY  22          1HA       GLY  22   1.874  -2.338   5.397
  140   2HA   GLY  22          2HA       GLY  22   0.555  -1.144   5.320
  141    H    LYS  23           H        LYS  23  -0.780  -2.784   6.402
  142    HA   LYS  23           HA       LYS  23  -1.968  -4.802   4.552
  143   1HB   LYS  23          1HB       LYS  23  -0.824  -5.130   7.247
  144   2HB   LYS  23          2HB       LYS  23  -2.014  -6.126   6.739
  145   1HG   LYS  23          1HG       LYS  23  -0.674  -7.131   5.201
  146   2HG   LYS  23          2HG       LYS  23   0.375  -5.881   5.169
  147   1HD   LYS  23          1HD       LYS  23   1.093  -6.419   7.374
  148   2HD   LYS  23          2HD       LYS  23   0.032  -7.660   7.420
  149   1HE   LYS  23          1HE       LYS  23   2.278  -7.557   5.622
  150   2HE   LYS  23          2HE       LYS  23   2.284  -8.389   7.028
  151   1HZ   LYS  23          1HZ       LYS  23   0.411  -9.672   6.138
  152   2HZ   LYS  23          2HZ       LYS  23   0.734  -8.957   4.680
  153   3HZ   LYS  23          3HZ       LYS  23   1.849  -9.921   5.375
  154    H    GLY  24           H        GLY  24  -4.111  -5.387   5.097
  155   1HA   GLY  24          1HA       GLY  24  -6.081  -5.391   6.364
  156   2HA   GLY  24          2HA       GLY  24  -5.478  -4.050   7.344
  157    HA   PRO  25           HA       PRO  25  -9.009  -3.121   4.384
  158   1HB   PRO  25          1HB       PRO  25  -9.818  -1.452   6.676
  159   2HB   PRO  25          2HB       PRO  25 -10.752  -2.345   5.677
  160   1HG   PRO  25          1HG       PRO  25 -10.154  -3.329   7.983
  161   2HG   PRO  25          2HG       PRO  25 -10.132  -4.329   6.691
  162   1HD   PRO  25          1HD       PRO  25  -7.883  -3.091   7.989
  163   2HD   PRO  25          2HD       PRO  25  -7.968  -4.602   7.375
  164    H    LYS  26           H        LYS  26  -6.571  -1.000   5.516
  165    HA   LYS  26           HA       LYS  26  -7.729   1.358   4.054
  166   1HB   LYS  26          1HB       LYS  26  -6.779   1.469   6.484
  167   2HB   LYS  26          2HB       LYS  26  -5.335   1.592   5.731
  168   1HG   LYS  26          1HG       LYS  26  -5.953   3.772   5.985
  169   2HG   LYS  26          2HG       LYS  26  -6.385   3.456   4.442
  170   1HD   LYS  26          1HD       LYS  26  -8.632   2.931   5.363
  171   2HD   LYS  26          2HD       LYS  26  -8.125   3.680   6.723
  172   1HE   LYS  26          1HE       LYS  26  -9.280   5.287   5.546
  173   2HE   LYS  26          2HE       LYS  26  -7.703   5.656   5.332
  174   1HZ   LYS  26          1HZ       LYS  26  -7.710   4.804   3.164
  175   2HZ   LYS  26          2HZ       LYS  26  -9.115   4.046   3.410
  176   3HZ   LYS  26          3HZ       LYS  26  -9.088   5.691   3.278
  177    H    TYR  27           H        TYR  27  -5.675  -1.180   3.743
  178    HA   TYR  27           HA       TYR  27  -3.887   0.015   1.671
  179   1HB   TYR  27          1HB       TYR  27  -3.555  -2.162   3.645
  180   2HB   TYR  27          2HB       TYR  27  -2.486  -1.870   2.445
  181    HD1  TYR  27           HD1      TYR  27  -3.700  -0.778   5.675
  182    HD2  TYR  27           HD2      TYR  27  -0.927   0.008   2.465
  183    HE1  TYR  27           HE1      TYR  27  -2.437   0.801   7.136
  184    HE2  TYR  27           HE2      TYR  27   0.290   1.613   3.903
  185    HH   TYR  27           HH       TYR  27   0.545   2.402   6.035
  186    H    CYS  28           H        CYS  28  -5.722  -2.866   2.679
  187    HA   CYS  28           HA       CYS  28  -5.703  -4.033  -0.045
  188   1HB   CYS  28          1HB       CYS  28  -6.320  -4.962   2.671
  189   2HB   CYS  28          2HB       CYS  28  -6.772  -5.835   1.366
  190    H    GLY  29           H        GLY  29  -7.654  -1.787   1.437
  191   1HA   GLY  29          1HA       GLY  29 -10.172  -2.844   0.197
  192   2HA   GLY  29          2HA       GLY  29 -10.145  -2.274   1.859
  193    H    ARG  30           H        ARG  30  -9.845   0.033   2.252
  194    HA   ARG  30           HA       ARG  30 -10.747   1.739  -0.012
  195   1HB   ARG  30          1HB       ARG  30 -12.656   0.706   0.992
  196   2HB   ARG  30          2HB       ARG  30 -12.206   1.160   2.495
  197   1HG   ARG  30          1HG       ARG  30 -14.041   2.426   1.768
  198   2HG   ARG  30          2HG       ARG  30 -12.744   3.390   2.007
  199   1HD   ARG  30          1HD       ARG  30 -13.482   2.506  -0.633
  200   2HD   ARG  30          2HD       ARG  30 -14.067   3.894   0.000
  201    HE   ARG  30           HE       ARG  30 -11.387   4.074   0.361
  202   1HH1  ARG  30          1HH1      ARG  30 -13.138   3.727  -2.681
  203   2HH1  ARG  30          2HH1      ARG  30 -11.673   4.003  -3.562
  204   1HH2  ARG  30          1HH2      ARG  30  -9.717   4.340  -0.704
  205   2HH2  ARG  30          2HH2      ARG  30  -9.724   4.349  -2.436
  Start of MODEL   18
    1   1H    VAL   1          1H        VAL   1   7.601   9.644  -1.780
    2   2H    VAL   1          2H        VAL   1   8.188  11.186  -1.682
    3   3H    VAL   1          3H        VAL   1   7.420  10.499  -0.376
    4    HA   VAL   1           HA       VAL   1   9.861   9.431  -1.589
    5    HB   VAL   1           HB       VAL   1  10.373  11.605  -0.671
    6   1HG1  VAL   1          1HG1      VAL   1  10.239  12.158   1.691
    7   2HG1  VAL   1          2HG1      VAL   1   8.614  11.841   1.073
    8   3HG1  VAL   1          3HG1      VAL   1   9.450  10.620   2.061
    9   1HG2  VAL   1          1HG2      VAL   1  12.034   9.775  -0.539
   10   2HG2  VAL   1          2HG2      VAL   1  12.226  10.961   0.760
   11   3HG2  VAL   1          3HG2      VAL   1  11.477   9.395   1.110
   12    H    GLY   2           H        GLY   2  10.207   7.354  -1.069
   13   1HA   GLY   2          1HA       GLY   2  10.132   5.367   0.128
   14   2HA   GLY   2          2HA       GLY   2   9.321   6.181   1.462
   15    H    GLU   3           H        GLU   3   7.683   6.807  -1.483
   16    HA   GLU   3           HA       GLU   3   5.371   5.288  -0.833
   17   1HB   GLU   3          1HB       GLU   3   4.610   6.073  -2.936
   18   2HB   GLU   3          2HB       GLU   3   5.381   7.290  -2.166
   19   1HG   GLU   3          1HG       GLU   3   6.555   5.830  -4.342
   20   2HG   GLU   3          2HG       GLU   3   5.752   7.238  -4.545
   21    H    CYS   4           H        CYS   4   4.307   3.765  -2.334
   22    HA   CYS   4           HA       CYS   4   5.439   1.256  -2.415
   23   1HB   CYS   4          1HB       CYS   4   3.471   2.331  -4.341
   24   2HB   CYS   4          2HB       CYS   4   3.675   0.755  -3.964
   25    H    VAL   5           H        VAL   5   6.439  -0.067  -3.925
   26    HA   VAL   5           HA       VAL   5   8.830   0.425  -4.706
   27    HB   VAL   5           HB       VAL   5   6.943  -1.227  -6.399
   28   1HG1  VAL   5          1HG1      VAL   5   9.996  -1.228  -6.439
   29   2HG1  VAL   5          2HG1      VAL   5   8.965  -2.485  -7.155
   30   3HG1  VAL   5          3HG1      VAL   5   8.928  -0.852  -7.807
   31   1HG2  VAL   5          1HG2      VAL   5   7.763  -3.086  -5.109
   32   2HG2  VAL   5          2HG2      VAL   5   9.014  -2.082  -4.334
   33   3HG2  VAL   5          3HG2      VAL   5   7.314  -1.828  -3.950
   34    H    ARG   6           H        ARG   6   6.942   0.464  -7.666
   35    HA   ARG   6           HA       ARG   6   7.040   3.398  -7.755
   36   1HB   ARG   6          1HB       ARG   6   7.456   1.710 -10.153
   37   2HB   ARG   6          2HB       ARG   6   6.973   3.269 -10.230
   38   1HG   ARG   6          1HG       ARG   6   9.535   2.419  -9.241
   39   2HG   ARG   6          2HG       ARG   6   9.279   3.026 -10.736
   40   1HD   ARG   6          1HD       ARG   6  10.100   4.832  -9.643
   41   2HD   ARG   6          2HD       ARG   6   8.491   5.079  -9.506
   42    HE   ARG   6           HE       ARG   6   9.468   3.532  -7.370
   43   1HH1  ARG   6          1HH1      ARG   6   9.039   6.996  -8.039
   44   2HH1  ARG   6          2HH1      ARG   6   8.898   7.290  -6.338
   45   1HH2  ARG   6          1HH2      ARG   6   9.243   4.042  -5.379
   46   2HH2  ARG   6          2HH2      ARG   6   9.007   5.689  -4.897
   47    H    GLY   7           H        GLY   7   5.319   1.481  -6.604
   48   1HA   GLY   7          1HA       GLY   7   2.844   2.171  -6.639
   49   2HA   GLY   7          2HA       GLY   7   2.813   1.533  -8.279
   50    H    ARG   8           H        ARG   8   4.780  -0.669  -6.949
   51    HA   ARG   8           HA       ARG   8   2.700  -2.499  -5.894
   52   1HB   ARG   8          1HB       ARG   8   5.371  -3.017  -7.072
   53   2HB   ARG   8          2HB       ARG   8   4.200  -4.119  -6.784
   54   1HG   ARG   8          1HG       ARG   8   3.928  -2.058  -8.770
   55   2HG   ARG   8          2HG       ARG   8   4.488  -3.551  -9.122
   56   1HD   ARG   8          1HD       ARG   8   2.269  -3.575  -9.732
   57   2HD   ARG   8          2HD       ARG   8   2.334  -4.416  -8.333
   58    HE   ARG   8           HE       ARG   8   1.838  -1.800  -7.631
   59   1HH1  ARG   8          1HH1      ARG   8  -0.055  -4.280  -9.267
   60   2HH1  ARG   8          2HH1      ARG   8  -1.535  -3.544  -8.750
   61   1HH2  ARG   8          1HH2      ARG   8   0.021  -0.966  -7.023
   62   2HH2  ARG   8          2HH2      ARG   8  -1.492  -1.673  -7.483
   63    H    CYS   9           H        CYS   9   3.942  -4.328  -4.629
   64    HA   CYS   9           HA       CYS   9   6.143  -3.619  -2.984
   65   1HB   CYS   9          1HB       CYS   9   3.539  -3.057  -1.951
   66   2HB   CYS   9          2HB       CYS   9   4.327  -4.124  -0.998
   67    HA   PRO  10           HA       PRO  10   6.289  -8.007  -2.889
   68   1HB   PRO  10          1HB       PRO  10   7.461  -8.655  -0.596
   69   2HB   PRO  10          2HB       PRO  10   8.258  -7.757  -1.703
   70   1HG   PRO  10          1HG       PRO  10   6.891  -6.790   0.664
   71   2HG   PRO  10          2HG       PRO  10   8.385  -6.371   0.155
   72   1HD   PRO  10          1HD       PRO  10   6.325  -4.861  -0.423
   73   2HD   PRO  10          2HD       PRO  10   7.577  -4.983  -1.464
   74    H    SER  11           H        SER  11   5.936 -10.031  -1.613
   75    HA   SER  11           HA       SER  11   4.035 -11.451  -1.195
   76   1HB   SER  11          1HB       SER  11   6.044 -11.620   0.198
   77   2HB   SER  11          2HB       SER  11   5.301 -10.756   1.367
   78    HG   SER  11           HG       SER  11   5.046 -12.978   1.702
   79    H    GLY  12           H        GLY  12   2.039 -10.527  -1.607
   80   1HA   GLY  12          1HA       GLY  12  -0.139 -10.023  -1.068
   81   2HA   GLY  12          2HA       GLY  12   0.242 -10.702   0.516
   82    H    MET  13           H        MET  13   1.766  -7.683  -0.722
   83    HA   MET  13           HA       MET  13   0.861  -6.015   1.385
   84   1HB   MET  13          1HB       MET  13   1.663  -4.306  -0.114
   85   2HB   MET  13          2HB       MET  13   2.724  -5.548  -0.085
   86   1HG   MET  13          1HG       MET  13   2.673  -5.434  -2.268
   87   2HG   MET  13          2HG       MET  13   1.230  -6.189  -2.148
   88   1HE   MET  13          1HE       MET  13   0.183  -5.548  -4.414
   89   2HE   MET  13          2HE       MET  13   0.403  -3.928  -5.112
   90   3HE   MET  13          3HE       MET  13   1.819  -4.958  -4.780
   91    H    CYS  14           H        CYS  14  -0.352  -4.165   1.243
   92    HA   CYS  14           HA       CYS  14  -2.104  -3.747  -1.115
   93   1HB   CYS  14          1HB       CYS  14  -2.965  -3.459   1.687
   94   2HB   CYS  14          2HB       CYS  14  -3.789  -2.867   0.407
   95    H    CYS  15           H        CYS  15  -0.443  -2.355  -1.873
   96    HA   CYS  15           HA       CYS  15   0.384   0.101  -0.752
   97   1HB   CYS  15          1HB       CYS  15   1.010  -0.732  -2.928
   98   2HB   CYS  15          2HB       CYS  15  -0.490  -0.461  -3.513
   99    H    SER  16           H        SER  16  -0.891   1.419   0.403
  100    HA   SER  16           HA       SER  16  -3.741   1.682   0.167
  101   1HB   SER  16          1HB       SER  16  -3.403   3.537   1.690
  102   2HB   SER  16          2HB       SER  16  -2.585   2.216   2.193
  103    HG   SER  16           HG       SER  16  -1.330   4.101   2.450
  104    H    GLN  17           H        GLN  17  -4.898   3.743  -0.185
  105    HA   GLN  17           HA       GLN  17  -4.406   4.969  -2.746
  106   1HB   GLN  17          1HB       GLN  17  -6.551   4.823  -1.573
  107   2HB   GLN  17          2HB       GLN  17  -6.056   5.940  -0.489
  108   1HG   GLN  17          1HG       GLN  17  -5.927   6.821  -3.151
  109   2HG   GLN  17          2HG       GLN  17  -7.445   6.508  -2.636
  110   1HE2  GLN  17          1HE2      GLN  17  -4.653   8.560  -2.142
  111   2HE2  GLN  17          2HE2      GLN  17  -5.599   9.822  -1.314
  112    H    TRP  18           H        TRP  18  -3.069   5.614   0.390
  113    HA   TRP  18           HA       TRP  18  -2.257   8.365  -0.035
  114   1HB   TRP  18          1HB       TRP  18  -1.087   6.468   1.877
  115   2HB   TRP  18          2HB       TRP  18  -1.312   8.077   2.045
  116    HD1  TRP  18           HD1      TRP  18  -2.336   5.257   3.666
  117    HE1  TRP  18           HE1      TRP  18  -4.693   5.349   4.641
  118    HE3  TRP  18           HE3      TRP  18  -4.141   9.251   1.017
  119    HZ2  TRP  18           HZ2      TRP  18  -7.095   6.979   4.311
  120    HZ3  TRP  18           HZ3      TRP  18  -6.477  10.023   1.343
  121    HH2  TRP  18           HH2      TRP  18  -7.949   8.904   2.993
  122    H    GLY  19           H        GLY  19  -1.165   5.404  -1.312
  123   1HA   GLY  19          1HA       GLY  19   0.595   5.111  -2.829
  124   2HA   GLY  19          2HA       GLY  19   1.339   6.623  -2.305
  125    H    TYR  20           H        TYR  20   0.467   4.542   0.308
  126    HA   TYR  20           HA       TYR  20   3.282   3.522   0.517
  127   1HB   TYR  20          1HB       TYR  20   1.627   4.792   2.594
  128   2HB   TYR  20          2HB       TYR  20   2.972   3.930   2.933
  129    HD1  TYR  20           HD1      TYR  20   5.246   4.739   2.451
  130    HD2  TYR  20           HD2      TYR  20   1.698   7.012   1.503
  131    HE1  TYR  20           HE1      TYR  20   6.636   6.732   2.020
  132    HE2  TYR  20           HE2      TYR  20   3.112   8.995   0.994
  133    HH   TYR  20           HH       TYR  20   5.165   9.837   0.876
  134    H    CYS  21           H        CYS  21   3.622   1.527   1.329
  135    HA   CYS  21           HA       CYS  21   1.436  -0.359   1.036
  136   1HB   CYS  21          1HB       CYS  21   4.265  -0.813   1.740
  137   2HB   CYS  21          2HB       CYS  21   3.207  -1.940   1.213
  138    H    GLY  22           H        GLY  22   1.032  -2.155   2.486
  139   1HA   GLY  22          1HA       GLY  22   1.639  -2.520   5.127
  140   2HA   GLY  22          2HA       GLY  22   0.278  -1.374   5.073
  141    H    LYS  23           H        LYS  23  -1.026  -3.163   5.945
  142    HA   LYS  23           HA       LYS  23  -2.385  -4.651   3.827
  143   1HB   LYS  23          1HB       LYS  23  -1.109  -5.985   6.144
  144   2HB   LYS  23          2HB       LYS  23  -2.372  -6.652   5.352
  145   1HG   LYS  23          1HG       LYS  23  -0.880  -7.683   4.144
  146   2HG   LYS  23          2HG       LYS  23  -0.640  -6.249   3.401
  147   1HD   LYS  23          1HD       LYS  23   1.119  -5.766   4.954
  148   2HD   LYS  23          2HD       LYS  23   0.901  -7.235   5.633
  149   1HE   LYS  23          1HE       LYS  23   1.905  -6.739   2.978
  150   2HE   LYS  23          2HE       LYS  23   2.763  -7.352   4.225
  151   1HZ   LYS  23          1HZ       LYS  23   1.409  -9.315   4.163
  152   2HZ   LYS  23          2HZ       LYS  23   0.605  -8.669   2.863
  153   3HZ   LYS  23          3HZ       LYS  23   2.177  -9.075   2.716
  154    H    GLY  24           H        GLY  24  -4.471  -5.518   4.710
  155   1HA   GLY  24          1HA       GLY  24  -6.173  -5.689   6.305
  156   2HA   GLY  24          2HA       GLY  24  -5.314  -4.565   7.358
  157    HA   PRO  25           HA       PRO  25  -9.160  -2.921   5.288
  158   1HB   PRO  25          1HB       PRO  25 -10.508  -2.141   7.464
  159   2HB   PRO  25          2HB       PRO  25 -10.468  -3.702   6.982
  160   1HG   PRO  25          1HG       PRO  25  -8.853  -2.478   9.055
  161   2HG   PRO  25          2HG       PRO  25  -9.651  -3.900   9.143
  162   1HD   PRO  25          1HD       PRO  25  -7.117  -3.895   8.565
  163   2HD   PRO  25          2HD       PRO  25  -8.101  -4.987   7.854
  164    H    LYS  26           H        LYS  26  -6.582  -1.268   6.399
  165    HA   LYS  26           HA       LYS  26  -7.825   1.267   5.493
  166   1HB   LYS  26          1HB       LYS  26  -7.360   1.252   7.942
  167   2HB   LYS  26          2HB       LYS  26  -5.765   1.271   7.591
  168   1HG   LYS  26          1HG       LYS  26  -6.525   3.442   8.117
  169   2HG   LYS  26          2HG       LYS  26  -5.987   3.381   6.576
  170   1HD   LYS  26          1HD       LYS  26  -8.679   2.922   6.538
  171   2HD   LYS  26          2HD       LYS  26  -8.414   4.262   7.433
  172   1HE   LYS  26          1HE       LYS  26  -8.815   4.926   5.231
  173   2HE   LYS  26          2HE       LYS  26  -7.247   5.230   5.575
  174   1HZ   LYS  26          1HZ       LYS  26  -6.587   3.289   4.360
  175   2HZ   LYS  26          2HZ       LYS  26  -8.160   2.942   4.058
  176   3HZ   LYS  26          3HZ       LYS  26  -7.532   4.216   3.362
  177    H    TYR  27           H        TYR  27  -5.916  -1.062   4.584
  178    HA   TYR  27           HA       TYR  27  -4.141   0.655   2.909
  179   1HB   TYR  27          1HB       TYR  27  -3.612  -1.827   4.394
  180   2HB   TYR  27          2HB       TYR  27  -2.767  -1.498   3.035
  181    HD1  TYR  27           HD1      TYR  27  -3.151  -0.783   6.524
  182    HD2  TYR  27           HD2      TYR  27  -1.265   0.467   2.852
  183    HE1  TYR  27           HE1      TYR  27  -1.559   0.645   7.817
  184    HE2  TYR  27           HE2      TYR  27   0.283   1.922   4.137
  185    HH   TYR  27           HH       TYR  27   1.063   2.437   6.229
  186    H    CYS  28           H        CYS  28  -5.612  -2.635   3.194
  187    HA   CYS  28           HA       CYS  28  -6.113  -2.910   0.337
  188   1HB   CYS  28          1HB       CYS  28  -7.349  -4.302   2.630
  189   2HB   CYS  28          2HB       CYS  28  -7.249  -4.831   1.088
  190    H    GLY  29           H        GLY  29  -7.892  -1.916   3.255
  191   1HA   GLY  29          1HA       GLY  29 -10.194  -0.807   1.784
  192   2HA   GLY  29          2HA       GLY  29  -9.827  -0.595   3.499
  193    H    ARG  30           H        ARG  30  -8.432   0.163   0.346
  194    HA   ARG  30           HA       ARG  30  -6.992   1.817  -0.309
  195   1HB   ARG  30          1HB       ARG  30  -8.583   3.413  -1.224
  196   2HB   ARG  30          2HB       ARG  30  -8.917   1.837  -1.491
  197   1HG   ARG  30          1HG       ARG  30 -10.960   2.204  -0.893
  198   2HG   ARG  30          2HG       ARG  30 -10.438   2.550   0.615
  199   1HD   ARG  30          1HD       ARG  30 -10.726   4.529  -1.472
  200   2HD   ARG  30          2HD       ARG  30 -11.803   4.316  -0.262
  201    HE   ARG  30           HE       ARG  30  -9.492   4.620   1.057
  202   1HH1  ARG  30          1HH1      ARG  30 -10.689   6.830  -1.439
  203   2HH1  ARG  30          2HH1      ARG  30  -9.448   7.960  -1.013
  204   1HH2  ARG  30          1HH2      ARG  30  -8.072   5.995   1.449
  205   2HH2  ARG  30          2HH2      ARG  30  -7.993   7.494   0.585
  Start of MODEL   19
    1   1H    VAL   1          1H        VAL   1   6.950   9.647  -1.781
    2   2H    VAL   1          2H        VAL   1   7.279  11.254  -1.594
    3   3H    VAL   1          3H        VAL   1   6.753  10.354  -0.296
    4    HA   VAL   1           HA       VAL   1   9.202   9.766  -1.792
    5    HB   VAL   1           HB       VAL   1  10.511  10.684   0.091
    6   1HG1  VAL   1          1HG1      VAL   1  10.402  12.985  -0.676
    7   2HG1  VAL   1          2HG1      VAL   1  10.167  11.898  -2.050
    8   3HG1  VAL   1          3HG1      VAL   1   8.776  12.750  -1.336
    9   1HG2  VAL   1          1HG2      VAL   1   7.907  12.027   0.965
   10   2HG2  VAL   1          2HG2      VAL   1   8.831  10.815   1.886
   11   3HG2  VAL   1          3HG2      VAL   1   9.533  12.399   1.565
   12    H    GLY   2           H        GLY   2   9.857   7.758  -1.454
   13   1HA   GLY   2          1HA       GLY   2  10.128   5.677  -0.421
   14   2HA   GLY   2          2HA       GLY   2   9.424   6.313   1.064
   15    H    GLU   3           H        GLU   3   7.472   6.907  -1.720
   16    HA   GLU   3           HA       GLU   3   5.302   5.279  -0.912
   17   1HB   GLU   3          1HB       GLU   3   4.370   6.013  -2.980
   18   2HB   GLU   3          2HB       GLU   3   5.106   7.266  -2.233
   19   1HG   GLU   3          1HG       GLU   3   6.261   5.907  -4.483
   20   2HG   GLU   3          2HG       GLU   3   5.347   7.252  -4.635
   21    H    CYS   4           H        CYS   4   4.177   3.747  -2.390
   22    HA   CYS   4           HA       CYS   4   5.312   1.256  -2.603
   23   1HB   CYS   4          1HB       CYS   4   3.260   2.381  -4.405
   24   2HB   CYS   4          2HB       CYS   4   3.504   0.793  -4.111
   25    H    VAL   5           H        VAL   5   6.317   0.002  -4.150
   26    HA   VAL   5           HA       VAL   5   8.734   0.789  -4.668
   27    HB   VAL   5           HB       VAL   5   7.245  -1.176  -6.419
   28   1HG1  VAL   5          1HG1      VAL   5   9.281  -0.597  -7.662
   29   2HG1  VAL   5          2HG1      VAL   5  10.259  -0.759  -6.188
   30   3HG1  VAL   5          3HG1      VAL   5   9.479  -2.179  -6.917
   31   1HG2  VAL   5          1HG2      VAL   5   7.396  -1.669  -3.958
   32   2HG2  VAL   5          2HG2      VAL   5   8.269  -2.844  -4.947
   33   3HG2  VAL   5          3HG2      VAL   5   9.155  -1.574  -4.070
   34    H    ARG   6           H        ARG   6   7.009   0.538  -7.726
   35    HA   ARG   6           HA       ARG   6   6.976   3.470  -7.917
   36   1HB   ARG   6          1HB       ARG   6   7.552   1.730 -10.239
   37   2HB   ARG   6          2HB       ARG   6   6.960   3.244 -10.396
   38   1HG   ARG   6          1HG       ARG   6   9.547   2.615  -9.316
   39   2HG   ARG   6          2HG       ARG   6   9.284   3.165 -10.831
   40   1HD   ARG   6          1HD       ARG   6   9.946   5.053  -9.776
   41   2HD   ARG   6          2HD       ARG   6   8.322   5.184  -9.667
   42    HE   ARG   6           HE       ARG   6   9.360   3.762  -7.478
   43   1HH1  ARG   6          1HH1      ARG   6   8.707   7.174  -8.236
   44   2HH1  ARG   6          2HH1      ARG   6   8.517   7.493  -6.544
   45   1HH2  ARG   6          1HH2      ARG   6   9.066   4.301  -5.507
   46   2HH2  ARG   6          2HH2      ARG   6   8.709   5.938  -5.070
   47    H    GLY   7           H        GLY   7   5.321   1.339  -6.837
   48   1HA   GLY   7          1HA       GLY   7   2.853   2.218  -7.010
   49   2HA   GLY   7          2HA       GLY   7   2.851   1.317  -8.523
   50    H    ARG   8           H        ARG   8   4.642  -0.853  -7.125
   51    HA   ARG   8           HA       ARG   8   2.451  -2.224  -5.713
   52   1HB   ARG   8          1HB       ARG   8   3.305  -4.142  -6.580
   53   2HB   ARG   8          2HB       ARG   8   3.344  -3.080  -7.820
   54   1HG   ARG   8          1HG       ARG   8   5.291  -4.130  -8.111
   55   2HG   ARG   8          2HG       ARG   8   5.773  -2.858  -7.207
   56   1HD   ARG   8          1HD       ARG   8   6.053  -4.128  -5.351
   57   2HD   ARG   8          2HD       ARG   8   5.064  -5.305  -5.902
   58    HE   ARG   8           HE       ARG   8   7.399  -5.123  -7.465
   59   1HH1  ARG   8          1HH1      ARG   8   6.140  -6.539  -4.479
   60   2HH1  ARG   8          2HH1      ARG   8   7.323  -7.804  -4.483
   61   1HH2  ARG   8          1HH2      ARG   8   8.884  -6.801  -7.379
   62   2HH2  ARG   8          2HH2      ARG   8   8.835  -7.948  -6.082
   63    H    CYS   9           H        CYS   9   3.448  -4.063  -4.276
   64    HA   CYS   9           HA       CYS   9   5.446  -2.976  -2.371
   65   1HB   CYS   9          1HB       CYS   9   2.564  -3.435  -1.982
   66   2HB   CYS   9          2HB       CYS   9   3.589  -3.464  -0.711
   67    HA   PRO  10           HA       PRO  10   6.528  -7.234  -1.853
   68   1HB   PRO  10          1HB       PRO  10   6.888  -7.656   0.751
   69   2HB   PRO  10          2HB       PRO  10   7.855  -6.653  -0.101
   70   1HG   PRO  10          1HG       PRO  10   5.636  -5.906   1.598
   71   2HG   PRO  10          2HG       PRO  10   7.116  -5.216   1.551
   72   1HD   PRO  10          1HD       PRO  10   5.148  -4.131   0.239
   73   2HD   PRO  10          2HD       PRO  10   6.659  -4.083  -0.380
   74    H    SER  11           H        SER  11   6.255  -9.330  -0.389
   75    HA   SER  11           HA       SER  11   4.300 -10.804  -1.365
   76   1HB   SER  11          1HB       SER  11   5.433 -11.196   1.331
   77   2HB   SER  11          2HB       SER  11   4.827 -12.358   0.357
   78    HG   SER  11           HG       SER  11   7.049 -12.331   0.170
   79    H    GLY  12           H        GLY  12   2.169 -10.484  -1.453
   80   1HA   GLY  12          1HA       GLY  12  -0.039 -10.458  -0.799
   81   2HA   GLY  12          2HA       GLY  12   0.480 -10.951   0.813
   82    H    MET  13           H        MET  13   1.679  -7.955  -0.629
   83    HA   MET  13           HA       MET  13   0.715  -6.157   1.322
   84   1HB   MET  13          1HB       MET  13   1.360  -4.553  -0.386
   85   2HB   MET  13          2HB       MET  13   2.495  -5.718  -0.248
   86   1HG   MET  13          1HG       MET  13   2.403  -5.704  -2.451
   87   2HG   MET  13          2HG       MET  13   1.144  -6.715  -2.204
   88   1HE   MET  13          1HE       MET  13  -0.104  -4.915  -5.366
   89   2HE   MET  13          2HE       MET  13   1.518  -5.536  -4.978
   90   3HE   MET  13          3HE       MET  13   0.073  -6.490  -4.564
   91    H    CYS  14           H        CYS  14  -0.546  -4.290   0.965
   92    HA   CYS  14           HA       CYS  14  -1.990  -4.061  -1.547
   93   1HB   CYS  14          1HB       CYS  14  -3.847  -3.028   0.024
   94   2HB   CYS  14          2HB       CYS  14  -3.917  -4.511  -0.658
   95    H    CYS  15           H        CYS  15  -1.064  -2.278  -2.400
   96    HA   CYS  15           HA       CYS  15   0.184  -0.167  -0.898
   97   1HB   CYS  15          1HB       CYS  15   0.691  -0.638  -3.199
   98   2HB   CYS  15          2HB       CYS  15  -0.806  -0.198  -3.681
   99    H    SER  16           H        SER  16  -0.840   1.226   0.406
  100    HA   SER  16           HA       SER  16  -3.675   1.720   0.469
  101   1HB   SER  16          1HB       SER  16  -3.056   3.493   2.004
  102   2HB   SER  16          2HB       SER  16  -2.303   2.098   2.396
  103    HG   SER  16           HG       SER  16  -0.885   3.871   2.577
  104    H    GLN  17           H        GLN  17  -4.738   3.854   0.289
  105    HA   GLN  17           HA       GLN  17  -4.240   4.949  -2.332
  106   1HB   GLN  17          1HB       GLN  17  -6.428   4.671  -1.128
  107   2HB   GLN  17          2HB       GLN  17  -6.063   5.995  -0.244
  108   1HG   GLN  17          1HG       GLN  17  -7.523   6.438  -2.137
  109   2HG   GLN  17          2HG       GLN  17  -6.181   7.368  -2.103
  110   1HE2  GLN  17          1HE2      GLN  17  -4.643   7.286  -3.766
  111   2HE2  GLN  17          2HE2      GLN  17  -4.930   6.223  -5.158
  112    H    TRP  18           H        TRP  18  -3.011   5.714   0.739
  113    HA   TRP  18           HA       TRP  18  -2.136   8.456   0.206
  114   1HB   TRP  18          1HB       TRP  18  -1.379   6.427   2.216
  115   2HB   TRP  18          2HB       TRP  18  -0.849   7.972   2.214
  116    HD1  TRP  18           HD1      TRP  18  -4.165   8.644   1.476
  117    HE1  TRP  18           HE1      TRP  18  -5.594   9.105   3.550
  118    HE3  TRP  18           HE3      TRP  18  -1.083   6.653   5.052
  119    HZ2  TRP  18           HZ2      TRP  18  -5.401   8.740   6.402
  120    HZ3  TRP  18           HZ3      TRP  18  -1.727   6.748   7.448
  121    HH2  TRP  18           HH2      TRP  18  -3.869   7.799   8.134
  122    H    GLY  19           H        GLY  19  -1.207   5.386  -1.005
  123   1HA   GLY  19          1HA       GLY  19   0.436   5.057  -2.611
  124   2HA   GLY  19          2HA       GLY  19   1.265   6.534  -2.118
  125    H    TYR  20           H        TYR  20   0.481   4.318   0.476
  126    HA   TYR  20           HA       TYR  20   3.333   3.373   0.494
  127   1HB   TYR  20          1HB       TYR  20   1.739   4.460   2.715
  128   2HB   TYR  20          2HB       TYR  20   3.138   3.647   2.936
  129    HD1  TYR  20           HD1      TYR  20   5.341   4.573   2.330
  130    HD2  TYR  20           HD2      TYR  20   1.651   6.734   1.747
  131    HE1  TYR  20           HE1      TYR  20   6.619   6.630   1.878
  132    HE2  TYR  20           HE2      TYR  20   2.942   8.792   1.226
  133    HH   TYR  20           HH       TYR  20   4.953   9.726   1.003
  134    H    CYS  21           H        CYS  21   3.835   1.428   1.382
  135    HA   CYS  21           HA       CYS  21   1.960  -0.685   0.898
  136   1HB   CYS  21          1HB       CYS  21   4.664  -0.715   2.113
  137   2HB   CYS  21          2HB       CYS  21   3.876  -2.023   1.532
  138    H    GLY  22           H        GLY  22   1.206  -2.369   2.318
  139   1HA   GLY  22          1HA       GLY  22   1.658  -2.828   4.942
  140   2HA   GLY  22          2HA       GLY  22   0.417  -1.561   4.926
  141    H    LYS  23           H        LYS  23  -0.828  -3.379   5.880
  142    HA   LYS  23           HA       LYS  23  -2.293  -5.021   3.887
  143   1HB   LYS  23          1HB       LYS  23  -0.861  -5.891   6.321
  144   2HB   LYS  23          2HB       LYS  23  -2.083  -6.775   5.693
  145   1HG   LYS  23          1HG       LYS  23  -0.862  -7.413   3.899
  146   2HG   LYS  23          2HG       LYS  23   0.139  -6.127   4.007
  147   1HD   LYS  23          1HD       LYS  23   1.070  -7.093   6.022
  148   2HD   LYS  23          2HD       LYS  23   0.153  -8.420   5.763
  149   1HE   LYS  23          1HE       LYS  23   2.122  -7.524   3.860
  150   2HE   LYS  23          2HE       LYS  23   2.469  -8.628   5.012
  151   1HZ   LYS  23          1HZ       LYS  23   1.986  -9.644   2.907
  152   2HZ   LYS  23          2HZ       LYS  23   0.924 -10.125   4.084
  153   3HZ   LYS  23          3HZ       LYS  23   0.479  -8.997   2.965
  154    H    GLY  24           H        GLY  24  -4.470  -5.396   4.527
  155   1HA   GLY  24          1HA       GLY  24  -6.273  -5.514   6.050
  156   2HA   GLY  24          2HA       GLY  24  -5.379  -4.534   7.211
  157    HA   PRO  25           HA       PRO  25  -9.067  -2.376   5.268
  158   1HB   PRO  25          1HB       PRO  25  -9.084  -1.167   7.955
  159   2HB   PRO  25          2HB       PRO  25 -10.348  -1.629   7.030
  160   1HG   PRO  25          1HG       PRO  25  -9.586  -3.213   8.917
  161   2HG   PRO  25          2HG       PRO  25  -9.998  -3.874   7.482
  162   1HD   PRO  25          1HD       PRO  25  -7.346  -3.366   8.482
  163   2HD   PRO  25          2HD       PRO  25  -7.852  -4.660   7.623
  164    H    LYS  26           H        LYS  26  -6.102  -0.988   6.325
  165    HA   LYS  26           HA       LYS  26  -6.873   1.763   5.425
  166   1HB   LYS  26          1HB       LYS  26  -5.972   1.535   7.665
  167   2HB   LYS  26          2HB       LYS  26  -4.600   0.859   7.094
  168   1HG   LYS  26          1HG       LYS  26  -4.201   3.079   7.730
  169   2HG   LYS  26          2HG       LYS  26  -3.978   2.912   6.121
  170   1HD   LYS  26          1HD       LYS  26  -6.488   3.711   6.233
  171   2HD   LYS  26          2HD       LYS  26  -5.816   4.546   7.465
  172   1HE   LYS  26          1HE       LYS  26  -5.641   5.915   5.611
  173   2HE   LYS  26          2HE       LYS  26  -4.137   5.337   5.878
  174   1HZ   LYS  26          1HZ       LYS  26  -4.653   5.188   3.548
  175   2HZ   LYS  26          2HZ       LYS  26  -4.539   3.658   4.179
  176   3HZ   LYS  26          3HZ       LYS  26  -5.973   4.287   3.896
  177    H    TYR  27           H        TYR  27  -5.896  -0.894   4.128
  178    HA   TYR  27           HA       TYR  27  -3.965   0.214   2.141
  179   1HB   TYR  27          1HB       TYR  27  -3.817  -2.231   3.813
  180   2HB   TYR  27          2HB       TYR  27  -2.820  -1.942   2.553
  181    HD1  TYR  27           HD1      TYR  27  -3.423  -1.351   6.017
  182    HD2  TYR  27           HD2      TYR  27  -1.223   0.012   2.571
  183    HE1  TYR  27           HE1      TYR  27  -1.998   0.044   7.490
  184    HE2  TYR  27           HE2      TYR  27   0.173   1.469   4.051
  185    HH   TYR  27           HH       TYR  27  -0.247   1.546   7.586
  186    H    CYS  28           H        CYS  28  -5.690  -2.793   2.932
  187    HA   CYS  28           HA       CYS  28  -6.506  -3.389   0.176
  188   1HB   CYS  28          1HB       CYS  28  -6.836  -4.657   2.813
  189   2HB   CYS  28          2HB       CYS  28  -7.624  -5.217   1.497
  190    H    GLY  29           H        GLY  29  -7.786  -1.677   2.885
  191   1HA   GLY  29          1HA       GLY  29 -10.324  -1.113   1.429
  192   2HA   GLY  29          2HA       GLY  29  -9.780  -0.326   2.922
  193    H    ARG  30           H        ARG  30  -8.763   1.729   2.642
  194    HA   ARG  30           HA       ARG  30  -7.051   2.207   0.337
  195   1HB   ARG  30          1HB       ARG  30  -9.506   3.711   1.040
  196   2HB   ARG  30          2HB       ARG  30  -8.299   4.392   0.175
  197   1HG   ARG  30          1HG       ARG  30  -9.862   2.157  -0.735
  198   2HG   ARG  30          2HG       ARG  30 -10.136   3.704  -1.183
  199   1HD   ARG  30          1HD       ARG  30  -9.083   2.641  -2.953
  200   2HD   ARG  30          2HD       ARG  30  -8.009   3.694  -2.315
  201    HE   ARG  30           HE       ARG  30  -7.869   1.005  -1.350
  202   1HH1  ARG  30          1HH1      ARG  30  -6.230   3.272  -3.529
  203   2HH1  ARG  30          2HH1      ARG  30  -4.729   2.427  -3.348
  204   1HH2  ARG  30          1HH2      ARG  30  -5.914   0.088  -1.134
  205   2HH2  ARG  30          2HH2      ARG  30  -4.556   0.679  -2.031
  Start of MODEL   20
    1   1H    VAL   1          1H        VAL   1  10.416   6.460  -0.184
    2   2H    VAL   1          2H        VAL   1  11.295   7.501   0.761
    3   3H    VAL   1          3H        VAL   1   9.661   7.272   0.957
    4    HA   VAL   1           HA       VAL   1  11.684   5.195   1.361
    5    HB   VAL   1           HB       VAL   1  12.095   6.843   2.985
    6   1HG1  VAL   1          1HG1      VAL   1  10.630   7.593   4.697
    7   2HG1  VAL   1          2HG1      VAL   1   9.838   7.941   3.161
    8   3HG1  VAL   1          3HG1      VAL   1   9.308   6.567   4.165
    9   1HG2  VAL   1          1HG2      VAL   1  11.990   5.475   4.982
   10   2HG2  VAL   1          2HG2      VAL   1  10.713   4.464   4.284
   11   3HG2  VAL   1          3HG2      VAL   1  12.344   4.457   3.577
   12    H    GLY   2           H        GLY   2   8.404   5.792   2.717
   13   1HA   GLY   2          1HA       GLY   2   7.946   2.882   2.542
   14   2HA   GLY   2          2HA       GLY   2   6.995   4.046   3.444
   15    H    GLU   3           H        GLU   3   7.414   5.212   0.328
   16    HA   GLU   3           HA       GLU   3   4.810   4.908  -0.639
   17   1HB   GLU   3          1HB       GLU   3   7.149   4.856  -2.417
   18   2HB   GLU   3          2HB       GLU   3   5.635   5.345  -2.784
   19   1HG   GLU   3          1HG       GLU   3   6.876   7.249  -2.699
   20   2HG   GLU   3          2HG       GLU   3   6.019   7.245  -1.309
   21    H    CYS   4           H        CYS   4   3.832   3.506  -2.161
   22    HA   CYS   4           HA       CYS   4   4.406   0.695  -2.252
   23   1HB   CYS   4          1HB       CYS   4   3.108   2.345  -4.333
   24   2HB   CYS   4          2HB       CYS   4   2.874   0.753  -4.052
   25    H    VAL   5           H        VAL   5   5.853  -0.430  -3.443
   26    HA   VAL   5           HA       VAL   5   8.311   0.024  -3.493
   27    HB   VAL   5           HB       VAL   5   7.166  -1.215  -6.013
   28   1HG1  VAL   5          1HG1      VAL   5   9.362  -2.406  -6.160
   29   2HG1  VAL   5          2HG1      VAL   5   9.549  -0.675  -6.425
   30   3HG1  VAL   5          3HG1      VAL   5   9.991  -1.378  -4.858
   31   1HG2  VAL   5          1HG2      VAL   5   8.209  -2.456  -3.425
   32   2HG2  VAL   5          2HG2      VAL   5   6.507  -2.337  -3.888
   33   3HG2  VAL   5          3HG2      VAL   5   7.598  -3.339  -4.842
   34    H    ARG   6           H        ARG   6   7.523   0.626  -6.856
   35    HA   ARG   6           HA       ARG   6   7.522   3.523  -6.409
   36   1HB   ARG   6          1HB       ARG   6   8.785   2.298  -8.785
   37   2HB   ARG   6          2HB       ARG   6   8.278   3.850  -8.736
   38   1HG   ARG   6          1HG       ARG   6  10.434   2.788  -7.166
   39   2HG   ARG   6          2HG       ARG   6  10.619   3.701  -8.508
   40   1HD   ARG   6          1HD       ARG   6  10.945   5.273  -6.944
   41   2HD   ARG   6          2HD       ARG   6   9.328   5.421  -7.126
   42    HE   ARG   6           HE       ARG   6   9.729   3.461  -5.255
   43   1HH1  ARG   6          1HH1      ARG   6   9.961   7.009  -5.048
   44   2HH1  ARG   6          2HH1      ARG   6   9.760   6.898  -3.331
   45   1HH2  ARG   6          1HH2      ARG   6   9.531   3.509  -3.202
   46   2HH2  ARG   6          2HH2      ARG   6   9.526   5.010  -2.337
   47    H    GLY   7           H        GLY   7   5.592   1.533  -6.216
   48   1HA   GLY   7          1HA       GLY   7   3.314   2.426  -7.153
   49   2HA   GLY   7          2HA       GLY   7   3.822   1.625  -8.633
   50    H    ARG   8           H        ARG   8   4.955  -0.527  -6.433
   51    HA   ARG   8           HA       ARG   8   2.440  -2.075  -6.174
   52   1HB   ARG   8          1HB       ARG   8   5.247  -2.888  -6.707
   53   2HB   ARG   8          2HB       ARG   8   3.942  -3.869  -6.742
   54   1HG   ARG   8          1HG       ARG   8   4.301  -1.689  -8.594
   55   2HG   ARG   8          2HG       ARG   8   4.733  -3.225  -8.943
   56   1HD   ARG   8          1HD       ARG   8   2.487  -3.925  -8.822
   57   2HD   ARG   8          2HD       ARG   8   2.020  -2.435  -8.342
   58    HE   ARG   8           HE       ARG   8   2.760  -3.227 -11.007
   59   1HH1  ARG   8          1HH1      ARG   8   1.587  -0.532  -9.019
   60   2HH1  ARG   8          2HH1      ARG   8   1.061   0.346 -10.416
   61   1HH2  ARG   8          1HH2      ARG   8   2.041  -2.015 -12.704
   62   2HH2  ARG   8          2HH2      ARG   8   1.311  -0.467 -12.436
   63    H    CYS   9           H        CYS   9   3.051  -4.145  -4.775
   64    HA   CYS   9           HA       CYS   9   4.545  -3.476  -2.332
   65   1HB   CYS   9          1HB       CYS   9   1.649  -3.955  -2.437
   66   2HB   CYS   9          2HB       CYS   9   2.495  -4.424  -1.120
   67    HA   PRO  10           HA       PRO  10   5.501  -7.800  -2.699
   68   1HB   PRO  10          1HB       PRO  10   6.247  -8.431  -0.228
   69   2HB   PRO  10          2HB       PRO  10   7.131  -7.378  -1.109
   70   1HG   PRO  10          1HG       PRO  10   5.182  -6.730   0.937
   71   2HG   PRO  10          2HG       PRO  10   6.677  -6.093   0.769
   72   1HD   PRO  10          1HD       PRO  10   4.595  -4.827  -0.182
   73   2HD   PRO  10          2HD       PRO  10   6.037  -4.730  -0.943
   74    H    SER  11           H        SER  11   5.044 -10.004  -1.834
   75    HA   SER  11           HA       SER  11   2.547 -10.806  -2.189
   76   1HB   SER  11          1HB       SER  11   4.497 -12.167  -0.440
   77   2HB   SER  11          2HB       SER  11   3.277 -12.877  -1.262
   78    HG   SER  11           HG       SER  11   5.184 -13.105  -2.403
   79    H    GLY  12           H        GLY  12   0.831  -9.852  -1.215
   80   1HA   GLY  12          1HA       GLY  12  -0.950 -10.309   0.306
   81   2HA   GLY  12          2HA       GLY  12   0.211 -10.732   1.562
   82    H    MET  13           H        MET  13   1.544  -7.948   0.385
   83    HA   MET  13           HA       MET  13   0.010  -6.099   2.130
   84   1HB   MET  13          1HB       MET  13   2.623  -5.861   0.754
   85   2HB   MET  13          2HB       MET  13   1.926  -4.674   1.634
   86   1HG   MET  13          1HG       MET  13   2.011  -6.236   3.529
   87   2HG   MET  13          2HG       MET  13   3.016  -7.139   2.611
   88   1HE   MET  13          1HE       MET  13   5.439  -5.686   5.293
   89   2HE   MET  13          2HE       MET  13   3.749  -6.189   5.528
   90   3HE   MET  13          3HE       MET  13   4.843  -7.179   4.532
   91    H    CYS  14           H        CYS  14  -0.316  -3.939   1.152
   92    HA   CYS  14           HA       CYS  14  -0.913  -3.956  -1.765
   93   1HB   CYS  14          1HB       CYS  14  -2.969  -3.350   0.258
   94   2HB   CYS  14          2HB       CYS  14  -3.167  -3.425  -1.362
   95    H    CYS  15           H        CYS  15  -1.533  -1.885  -2.592
   96    HA   CYS  15           HA       CYS  15  -0.010   0.277  -1.347
   97   1HB   CYS  15          1HB       CYS  15   0.108  -0.322  -3.732
   98   2HB   CYS  15          2HB       CYS  15  -1.427   0.196  -3.943
   99    H    SER  16           H        SER  16  -0.935   1.690   0.026
  100    HA   SER  16           HA       SER  16  -3.831   1.958   0.272
  101   1HB   SER  16          1HB       SER  16  -3.296   3.617   1.910
  102   2HB   SER  16          2HB       SER  16  -2.375   2.294   2.174
  103    HG   SER  16           HG       SER  16  -1.155   4.202   2.415
  104    H    GLN  17           H        GLN  17  -4.905   3.969   0.239
  105    HA   GLN  17           HA       GLN  17  -4.886   5.424  -2.182
  106   1HB   GLN  17          1HB       GLN  17  -6.038   6.478   0.313
  107   2HB   GLN  17          2HB       GLN  17  -6.571   6.692  -1.216
  108   1HG   GLN  17          1HG       GLN  17  -8.119   5.309  -0.275
  109   2HG   GLN  17          2HG       GLN  17  -7.194   4.304  -1.170
  110   1HE2  GLN  17          1HE2      GLN  17  -6.733   2.301  -0.138
  111   2HE2  GLN  17          2HE2      GLN  17  -6.334   2.309   1.591
  112    H    TRP  18           H        TRP  18  -2.833   5.884   0.568
  113    HA   TRP  18           HA       TRP  18  -2.128   8.683   0.033
  114   1HB   TRP  18          1HB       TRP  18  -0.978   6.578   1.762
  115   2HB   TRP  18          2HB       TRP  18  -0.467   8.129   1.729
  116    HD1  TRP  18           HD1      TRP  18  -2.772   9.883   2.211
  117    HE1  TRP  18           HE1      TRP  18  -4.050   9.854   4.435
  118    HE3  TRP  18           HE3      TRP  18  -1.609   5.140   3.756
  119    HZ2  TRP  18           HZ2      TRP  18  -4.392   8.064   6.674
  120    HZ3  TRP  18           HZ3      TRP  18  -2.388   4.311   5.960
  121    HH2  TRP  18           HH2      TRP  18  -3.748   5.771   7.440
  122    H    GLY  19           H        GLY  19  -1.412   5.718  -1.519
  123   1HA   GLY  19          1HA       GLY  19   0.234   5.173  -3.068
  124   2HA   GLY  19          2HA       GLY  19   1.026   6.731  -2.812
  125    H    TYR  20           H        TYR  20   0.335   5.031   0.086
  126    HA   TYR  20           HA       TYR  20   3.177   4.164   0.401
  127   1HB   TYR  20          1HB       TYR  20   1.335   5.509   2.143
  128   2HB   TYR  20          2HB       TYR  20   2.111   4.264   2.860
  129    HD1  TYR  20           HD1      TYR  20   3.963   4.879   4.164
  130    HD2  TYR  20           HD2      TYR  20   3.058   6.937   0.474
  131    HE1  TYR  20           HE1      TYR  20   6.121   6.114   4.313
  132    HE2  TYR  20           HE2      TYR  20   5.238   8.121   0.615
  133    HH   TYR  20           HH       TYR  20   7.208   8.238   1.609
  134    H    CYS  21           H        CYS  21   3.719   2.189   1.178
  135    HA   CYS  21           HA       CYS  21   1.761   0.092   0.527
  136   1HB   CYS  21          1HB       CYS  21   4.176   0.159  -0.112
  137   2HB   CYS  21          2HB       CYS  21   4.549  -0.219   1.433
  138    H    GLY  22           H        GLY  22   1.241  -1.710   1.931
  139   1HA   GLY  22          1HA       GLY  22   2.159  -2.200   4.510
  140   2HA   GLY  22          2HA       GLY  22   0.816  -1.071   4.715
  141    H    LYS  23           H        LYS  23   0.020  -3.149   5.998
  142    HA   LYS  23           HA       LYS  23  -1.491  -4.927   4.248
  143   1HB   LYS  23          1HB       LYS  23   0.783  -5.624   5.421
  144   2HB   LYS  23          2HB       LYS  23  -0.174  -5.806   6.732
  145   1HG   LYS  23          1HG       LYS  23  -0.788  -7.124   4.255
  146   2HG   LYS  23          2HG       LYS  23   0.176  -7.827   5.370
  147   1HD   LYS  23          1HD       LYS  23  -1.535  -7.897   6.922
  148   2HD   LYS  23          2HD       LYS  23  -2.481  -6.933   6.005
  149   1HE   LYS  23          1HE       LYS  23  -1.744  -9.610   5.225
  150   2HE   LYS  23          2HE       LYS  23  -3.162  -9.253   5.953
  151   1HZ   LYS  23          1HZ       LYS  23  -2.339  -8.278   3.360
  152   2HZ   LYS  23          2HZ       LYS  23  -3.486  -9.412   3.630
  153   3HZ   LYS  23          3HZ       LYS  23  -3.780  -7.882   4.143
  154    H    GLY  24           H        GLY  24  -3.617  -5.093   4.990
  155   1HA   GLY  24          1HA       GLY  24  -5.010  -5.280   7.042
  156   2HA   GLY  24          2HA       GLY  24  -4.329  -3.733   7.554
  157    HA   PRO  25           HA       PRO  25  -8.224  -3.376   5.037
  158   1HB   PRO  25          1HB       PRO  25  -9.835  -2.173   6.837
  159   2HB   PRO  25          2HB       PRO  25  -9.648  -3.794   6.771
  160   1HG   PRO  25          1HG       PRO  25  -8.320  -1.958   8.575
  161   2HG   PRO  25          2HG       PRO  25  -8.997  -3.395   8.955
  162   1HD   PRO  25          1HD       PRO  25  -6.426  -3.250   8.562
  163   2HD   PRO  25          2HD       PRO  25  -7.241  -4.586   8.095
  164    H    LYS  26           H        LYS  26  -5.968  -1.161   5.943
  165    HA   LYS  26           HA       LYS  26  -7.399   1.185   4.773
  166   1HB   LYS  26          1HB       LYS  26  -6.237   1.465   6.917
  167   2HB   LYS  26          2HB       LYS  26  -4.813   1.083   6.215
  168   1HG   LYS  26          1HG       LYS  26  -5.017   3.424   6.528
  169   2HG   LYS  26          2HG       LYS  26  -4.873   3.054   4.943
  170   1HD   LYS  26          1HD       LYS  26  -7.144   3.431   4.581
  171   2HD   LYS  26          2HD       LYS  26  -7.421   3.585   6.184
  172   1HE   LYS  26          1HE       LYS  26  -7.431   5.722   5.203
  173   2HE   LYS  26          2HE       LYS  26  -6.135   5.603   6.190
  174   1HZ   LYS  26          1HZ       LYS  26  -4.723   5.259   4.375
  175   2HZ   LYS  26          2HZ       LYS  26  -6.029   5.221   3.346
  176   3HZ   LYS  26          3HZ       LYS  26  -5.585   6.621   4.102
  177    H    TYR  27           H        TYR  27  -5.492  -1.382   4.011
  178    HA   TYR  27           HA       TYR  27  -4.054  -0.151   1.700
  179   1HB   TYR  27          1HB       TYR  27  -3.365  -2.378   3.535
  180   2HB   TYR  27          2HB       TYR  27  -2.469  -1.938   2.242
  181    HD1  TYR  27           HD1      TYR  27  -1.165   0.158   2.177
  182    HD2  TYR  27           HD2      TYR  27  -3.212  -1.280   5.690
  183    HE1  TYR  27           HE1      TYR  27   0.087   1.788   3.572
  184    HE2  TYR  27           HE2      TYR  27  -1.935   0.347   7.089
  185    HH   TYR  27           HH       TYR  27   0.606   2.404   5.723
  186    H    CYS  28           H        CYS  28  -5.381  -3.175   2.976
  187    HA   CYS  28           HA       CYS  28  -5.651  -4.386   0.262
  188   1HB   CYS  28          1HB       CYS  28  -5.069  -5.301   3.007
  189   2HB   CYS  28          2HB       CYS  28  -5.515  -6.366   1.851
  190    H    GLY  29           H        GLY  29  -7.590  -3.358   2.917
  191   1HA   GLY  29          1HA       GLY  29  -9.831  -3.868   3.507
  192   2HA   GLY  29          2HA       GLY  29  -9.875  -5.139   2.294
  193    H    ARG  30           H        ARG  30  -7.118  -6.107   3.569
  194    HA   ARG  30           HA       ARG  30  -7.936  -7.179   6.164
  195   1HB   ARG  30          1HB       ARG  30  -8.922  -8.639   4.423
  196   2HB   ARG  30          2HB       ARG  30  -7.422  -9.009   3.893
  197   1HG   ARG  30          1HG       ARG  30  -7.940  -9.491   6.639
  198   2HG   ARG  30          2HG       ARG  30  -8.652 -10.507   5.577
  199   1HD   ARG  30          1HD       ARG  30  -6.616 -11.276   4.809
  200   2HD   ARG  30          2HD       ARG  30  -5.807 -10.066   5.550
  201    HE   ARG  30           HE       ARG  30  -6.652 -12.517   6.707
  202   1HH1  ARG  30          1HH1      ARG  30  -5.576  -9.249   7.564
  203   2HH1  ARG  30          2HH1      ARG  30  -5.168  -9.739   9.175
  204   1HH2  ARG  30          1HH2      ARG  30  -6.089 -13.018   8.786
  205   2HH2  ARG  30          2HH2      ARG  30  -5.450 -11.805   9.844
  Start of MODEL   21
    1   1H    VAL   1          1H        VAL   1   8.957   2.184  -1.550
    2   2H    VAL   1          2H        VAL   1  10.536   2.388  -2.017
    3   3H    VAL   1          3H        VAL   1   9.880   3.304  -0.821
    4    HA   VAL   1           HA       VAL   1  10.390   0.414  -0.724
    5    HB   VAL   1           HB       VAL   1  12.422   1.576  -0.438
    6   1HG1  VAL   1          1HG1      VAL   1  11.717   3.820   0.283
    7   2HG1  VAL   1          2HG1      VAL   1  11.225   3.179   1.866
    8   3HG1  VAL   1          3HG1      VAL   1  12.921   3.137   1.373
    9   1HG2  VAL   1          1HG2      VAL   1  13.130   0.696   1.704
   10   2HG2  VAL   1          2HG2      VAL   1  11.461   0.655   2.298
   11   3HG2  VAL   1          3HG2      VAL   1  11.963  -0.420   0.973
   12    H    GLY   2           H        GLY   2   9.264   3.082   1.357
   13   1HA   GLY   2          1HA       GLY   2   7.391   1.186   2.753
   14   2HA   GLY   2          2HA       GLY   2   7.770   2.843   3.263
   15    H    GLU   3           H        GLU   3   7.658   4.165   0.871
   16    HA   GLU   3           HA       GLU   3   4.943   4.191  -0.123
   17   1HB   GLU   3          1HB       GLU   3   6.466   5.337  -2.012
   18   2HB   GLU   3          2HB       GLU   3   5.633   6.106  -0.837
   19   1HG   GLU   3          1HG       GLU   3   7.816   6.988  -1.065
   20   2HG   GLU   3          2HG       GLU   3   7.591   6.361   0.426
   21    H    CYS   4           H        CYS   4   4.194   3.284  -1.985
   22    HA   CYS   4           HA       CYS   4   4.918   0.645  -2.592
   23   1HB   CYS   4          1HB       CYS   4   3.332   2.491  -4.242
   24   2HB   CYS   4          2HB       CYS   4   3.253   0.860  -4.253
   25    H    VAL   5           H        VAL   5   5.784  -0.401  -4.327
   26    HA   VAL   5           HA       VAL   5   8.420   0.157  -4.574
   27    HB   VAL   5           HB       VAL   5   6.760  -1.517  -6.474
   28   1HG1  VAL   5          1HG1      VAL   5   9.796  -1.346  -6.222
   29   2HG1  VAL   5          2HG1      VAL   5   8.920  -2.637  -7.076
   30   3HG1  VAL   5          3HG1      VAL   5   8.835  -0.976  -7.666
   31   1HG2  VAL   5          1HG2      VAL   5   6.806  -2.255  -4.097
   32   2HG2  VAL   5          2HG2      VAL   5   7.715  -3.380  -5.119
   33   3HG2  VAL   5          3HG2      VAL   5   8.579  -2.202  -4.111
   34    H    ARG   6           H        ARG   6   6.554   0.416  -7.561
   35    HA   ARG   6           HA       ARG   6   6.517   3.246  -7.086
   36   1HB   ARG   6          1HB       ARG   6   7.307   2.380  -9.799
   37   2HB   ARG   6          2HB       ARG   6   6.746   3.870  -9.436
   38   1HG   ARG   6          1HG       ARG   6   9.238   2.821  -8.469
   39   2HG   ARG   6          2HG       ARG   6   9.108   3.817  -9.756
   40   1HD   ARG   6          1HD       ARG   6   9.851   5.108  -7.985
   41   2HD   ARG   6          2HD       ARG   6   8.297   5.536  -8.250
   42    HE   ARG   6           HE       ARG   6   8.347   3.508  -6.383
   43   1HH1  ARG   6          1HH1      ARG   6   9.846   6.662  -6.144
   44   2HH1  ARG   6          2HH1      ARG   6   9.696   6.619  -4.419
   45   1HH2  ARG   6          1HH2      ARG   6   7.962   3.642  -4.332
   46   2HH2  ARG   6          2HH2      ARG   6   8.650   4.938  -3.412
   47    H    GLY   7           H        GLY   7   4.876   0.992  -6.651
   48   1HA   GLY   7          1HA       GLY   7   2.376   1.965  -7.055
   49   2HA   GLY   7          2HA       GLY   7   2.627   1.075  -8.554
   50    H    ARG   8           H        ARG   8   4.166  -1.167  -7.312
   51    HA   ARG   8           HA       ARG   8   1.947  -2.571  -5.973
   52   1HB   ARG   8          1HB       ARG   8   3.154  -4.509  -6.467
   53   2HB   ARG   8          2HB       ARG   8   3.134  -3.618  -7.835
   54   1HG   ARG   8          1HG       ARG   8   5.358  -3.281  -7.795
   55   2HG   ARG   8          2HG       ARG   8   5.464  -3.546  -6.187
   56   1HD   ARG   8          1HD       ARG   8   4.879  -5.686  -8.027
   57   2HD   ARG   8          2HD       ARG   8   6.414  -5.318  -7.607
   58    HE   ARG   8           HE       ARG   8   4.995  -5.705  -5.242
   59   1HH1  ARG   8          1HH1      ARG   8   6.263  -7.777  -7.808
   60   2HH1  ARG   8          2HH1      ARG   8   6.341  -9.128  -6.727
   61   1HH2  ARG   8          1HH2      ARG   8   5.115  -7.402  -3.997
   62   2HH2  ARG   8          2HH2      ARG   8   5.700  -8.918  -4.597
   63    H    CYS   9           H        CYS   9   2.849  -4.192  -4.268
   64    HA   CYS   9           HA       CYS   9   4.717  -2.835  -2.392
   65   1HB   CYS   9          1HB       CYS   9   1.991  -3.868  -1.958
   66   2HB   CYS   9          2HB       CYS   9   3.042  -3.770  -0.712
   67    HA   PRO  10           HA       PRO  10   6.782  -6.714  -1.677
   68   1HB   PRO  10          1HB       PRO  10   5.732  -6.766   1.074
   69   2HB   PRO  10          2HB       PRO  10   7.256  -7.039   0.555
   70   1HG   PRO  10          1HG       PRO  10   6.695  -4.722   1.569
   71   2HG   PRO  10          2HG       PRO  10   7.684  -4.784   0.270
   72   1HD   PRO  10          1HD       PRO  10   4.889  -4.104   0.318
   73   2HD   PRO  10          2HD       PRO  10   6.057  -3.443  -0.612
   74    H    SER  11           H        SER  11   6.391  -8.959  -1.592
   75    HA   SER  11           HA       SER  11   3.937  -9.618  -2.853
   76   1HB   SER  11          1HB       SER  11   6.153 -11.361  -1.987
   77   2HB   SER  11          2HB       SER  11   4.939 -11.825  -2.976
   78    HG   SER  11           HG       SER  11   6.821 -11.186  -4.075
   79    H    GLY  12           H        GLY  12   2.451  -9.033  -1.264
   80   1HA   GLY  12          1HA       GLY  12   0.751 -10.810  -0.161
   81   2HA   GLY  12          2HA       GLY  12   1.998 -10.762   1.087
   82    H    MET  13           H        MET  13   2.352  -7.702   0.217
   83    HA   MET  13           HA       MET  13   0.363  -6.603   2.099
   84   1HB   MET  13          1HB       MET  13   2.758  -5.563   0.724
   85   2HB   MET  13          2HB       MET  13   1.746  -4.574   1.539
   86   1HG   MET  13          1HG       MET  13   2.138  -5.902   3.515
   87   2HG   MET  13          2HG       MET  13   3.261  -6.741   2.678
   88   1HE   MET  13          1HE       MET  13   5.033  -6.337   4.632
   89   2HE   MET  13          2HE       MET  13   5.411  -4.703   5.227
   90   3HE   MET  13          3HE       MET  13   3.795  -5.395   5.501
   91    H    CYS  14           H        CYS  14  -0.396  -4.321   1.413
   92    HA   CYS  14           HA       CYS  14  -1.446  -4.181  -1.376
   93   1HB   CYS  14          1HB       CYS  14  -2.824  -3.483   1.146
   94   2HB   CYS  14          2HB       CYS  14  -3.417  -3.230  -0.355
   95    H    CYS  15           H        CYS  15  -1.475  -2.100  -2.229
   96    HA   CYS  15           HA       CYS  15   0.069   0.040  -0.914
   97   1HB   CYS  15          1HB       CYS  15   0.396  -0.604  -3.264
   98   2HB   CYS  15          2HB       CYS  15  -1.109  -0.081  -3.624
   99    H    SER  16           H        SER  16  -1.004   1.393   0.407
  100    HA   SER  16           HA       SER  16  -3.883   1.904   0.340
  101   1HB   SER  16          1HB       SER  16  -2.279   2.148   2.288
  102   2HB   SER  16          2HB       SER  16  -1.804   3.567   1.635
  103    HG   SER  16           HG       SER  16  -3.432   3.890   3.196
  104    H    GLN  17           H        GLN  17  -4.875   4.040  -0.251
  105    HA   GLN  17           HA       GLN  17  -3.662   5.194  -2.599
  106   1HB   GLN  17          1HB       GLN  17  -5.519   6.356  -2.899
  107   2HB   GLN  17          2HB       GLN  17  -6.108   5.127  -1.998
  108   1HG   GLN  17          1HG       GLN  17  -5.550   7.695  -0.850
  109   2HG   GLN  17          2HG       GLN  17  -7.007   7.342  -1.499
  110   1HE2  GLN  17          1HE2      GLN  17  -8.221   5.377  -0.573
  111   2HE2  GLN  17          2HE2      GLN  17  -8.069   5.288   1.187
  112    H    TRP  18           H        TRP  18  -2.922   5.803   0.625
  113    HA   TRP  18           HA       TRP  18  -1.790   8.485   0.314
  114   1HB   TRP  18          1HB       TRP  18  -1.393   6.301   2.261
  115   2HB   TRP  18          2HB       TRP  18  -0.636   7.745   2.359
  116    HD1  TRP  18           HD1      TRP  18  -3.716   8.996   1.453
  117    HE1  TRP  18           HE1      TRP  18  -5.203   9.596   3.442
  118    HE3  TRP  18           HE3      TRP  18  -1.352   6.266   5.087
  119    HZ2  TRP  18           HZ2      TRP  18  -5.325   9.032   6.271
  120    HZ3  TRP  18           HZ3      TRP  18  -2.192   6.307   7.424
  121    HH2  TRP  18           HH2      TRP  18  -4.162   7.691   8.029
  122    H    GLY  19           H        GLY  19  -1.029   5.517  -1.089
  123   1HA   GLY  19          1HA       GLY  19   0.652   5.137  -2.634
  124   2HA   GLY  19          2HA       GLY  19   1.528   6.562  -2.071
  125    H    TYR  20           H        TYR  20   0.564   4.339   0.402
  126    HA   TYR  20           HA       TYR  20   3.342   3.271   0.638
  127   1HB   TYR  20          1HB       TYR  20   1.673   4.628   2.592
  128   2HB   TYR  20          2HB       TYR  20   2.615   3.407   3.130
  129    HD1  TYR  20           HD1      TYR  20   2.883   6.492   1.105
  130    HD2  TYR  20           HD2      TYR  20   4.735   3.874   3.999
  131    HE1  TYR  20           HE1      TYR  20   4.777   8.064   1.307
  132    HE2  TYR  20           HE2      TYR  20   6.639   5.477   4.210
  133    HH   TYR  20           HH       TYR  20   7.535   7.369   3.567
  134    H    CYS  21           H        CYS  21   3.692   1.361   1.690
  135    HA   CYS  21           HA       CYS  21   1.642  -0.638   1.052
  136   1HB   CYS  21          1HB       CYS  21   4.500  -0.815   1.771
  137   2HB   CYS  21          2HB       CYS  21   3.578  -2.113   1.403
  138    H    GLY  22           H        GLY  22   0.790  -2.169   2.361
  139   1HA   GLY  22          1HA       GLY  22   1.700  -2.982   4.918
  140   2HA   GLY  22          2HA       GLY  22   0.484  -1.715   5.149
  141    H    LYS  23           H        LYS  23  -0.735  -3.496   6.222
  142    HA   LYS  23           HA       LYS  23  -2.559  -4.728   4.309
  143   1HB   LYS  23          1HB       LYS  23  -0.789  -6.270   5.580
  144   2HB   LYS  23          2HB       LYS  23  -1.918  -6.220   6.759
  145   1HG   LYS  23          1HG       LYS  23  -2.384  -8.114   5.509
  146   2HG   LYS  23          2HG       LYS  23  -3.531  -7.022   5.110
  147   1HD   LYS  23          1HD       LYS  23  -2.164  -6.424   3.175
  148   2HD   LYS  23          2HD       LYS  23  -1.207  -7.699   3.533
  149   1HE   LYS  23          1HE       LYS  23  -3.045  -9.180   3.258
  150   2HE   LYS  23          2HE       LYS  23  -4.036  -7.916   2.959
  151   1HZ   LYS  23          1HZ       LYS  23  -2.871  -7.456   0.965
  152   2HZ   LYS  23          2HZ       LYS  23  -1.822  -8.679   1.308
  153   3HZ   LYS  23          3HZ       LYS  23  -3.396  -9.020   0.946
  154    H    GLY  24           H        GLY  24  -4.565  -5.434   5.375
  155   1HA   GLY  24          1HA       GLY  24  -6.313  -5.094   6.949
  156   2HA   GLY  24          2HA       GLY  24  -5.463  -3.691   7.608
  157    HA   PRO  25           HA       PRO  25  -8.811  -2.716   4.424
  158   1HB   PRO  25          1HB       PRO  25 -10.646  -1.575   5.994
  159   2HB   PRO  25          2HB       PRO  25 -10.540  -3.200   5.858
  160   1HG   PRO  25          1HG       PRO  25  -9.467  -1.558   7.993
  161   2HG   PRO  25          2HG       PRO  25 -10.312  -2.946   8.153
  162   1HD   PRO  25          1HD       PRO  25  -7.709  -3.004   8.253
  163   2HD   PRO  25          2HD       PRO  25  -8.522  -4.245   7.570
  164    H    LYS  26           H        LYS  26  -6.564  -0.871   5.970
  165    HA   LYS  26           HA       LYS  26  -7.503   1.594   4.589
  166   1HB   LYS  26          1HB       LYS  26  -7.090   1.643   7.137
  167   2HB   LYS  26          2HB       LYS  26  -5.519   1.802   6.720
  168   1HG   LYS  26          1HG       LYS  26  -7.290   3.569   5.410
  169   2HG   LYS  26          2HG       LYS  26  -7.109   3.837   7.011
  170   1HD   LYS  26          1HD       LYS  26  -5.069   4.661   6.773
  171   2HD   LYS  26          2HD       LYS  26  -4.711   3.679   5.518
  172   1HE   LYS  26          1HE       LYS  26  -6.530   5.876   5.183
  173   2HE   LYS  26          2HE       LYS  26  -4.921   6.098   5.013
  174   1HZ   LYS  26          1HZ       LYS  26  -4.877   4.593   3.203
  175   2HZ   LYS  26          2HZ       LYS  26  -6.470   4.264   3.383
  176   3HZ   LYS  26          3HZ       LYS  26  -5.975   5.749   2.877
  177    H    TYR  27           H        TYR  27  -5.702  -0.977   4.184
  178    HA   TYR  27           HA       TYR  27  -3.651   0.354   2.466
  179   1HB   TYR  27          1HB       TYR  27  -3.489  -1.927   4.304
  180   2HB   TYR  27          2HB       TYR  27  -2.484  -1.843   3.020
  181    HD1  TYR  27           HD1      TYR  27  -3.108  -0.702   6.339
  182    HD2  TYR  27           HD2      TYR  27  -0.927   0.124   2.709
  183    HE1  TYR  27           HE1      TYR  27  -1.654   0.881   7.577
  184    HE2  TYR  27           HE2      TYR  27   0.524   1.729   3.958
  185    HH   TYR  27           HH       TYR  27   0.153   2.310   7.447
  186    H    CYS  28           H        CYS  28  -5.762  -2.535   2.909
  187    HA   CYS  28           HA       CYS  28  -5.690  -3.058   0.015
  188   1HB   CYS  28          1HB       CYS  28  -7.057  -4.450   2.218
  189   2HB   CYS  28          2HB       CYS  28  -6.845  -5.008   0.698
  190    H    GLY  29           H        GLY  29  -7.409  -0.804   1.760
  191   1HA   GLY  29          1HA       GLY  29  -9.461  -0.705  -0.346
  192   2HA   GLY  29          2HA       GLY  29 -10.092  -0.994   1.269
  193    H    ARG  30           H        ARG  30  -9.683   0.690   2.918
  194    HA   ARG  30           HA       ARG  30 -10.524   3.239   1.833
  195   1HB   ARG  30          1HB       ARG  30 -11.440   2.108   3.826
  196   2HB   ARG  30          2HB       ARG  30 -10.060   2.421   4.642
  197   1HG   ARG  30          1HG       ARG  30 -11.373   4.676   3.545
  198   2HG   ARG  30          2HG       ARG  30 -12.125   3.962   4.807
  199   1HD   ARG  30          1HD       ARG  30 -10.341   4.394   6.220
  200   2HD   ARG  30          2HD       ARG  30  -9.383   4.833   4.972
  201    HE   ARG  30           HE       ARG  30 -11.272   6.461   6.330
  202   1HH1  ARG  30          1HH1      ARG  30  -9.391   6.253   3.336
  203   2HH1  ARG  30          2HH1      ARG  30  -9.554   7.951   3.037
  204   1HH2  ARG  30          1HH2      ARG  30 -11.408   8.620   5.846
  205   2HH2  ARG  30          2HH2      ARG  30 -10.663   9.251   4.416
  Start of MODEL   22
    1   1H    VAL   1          1H        VAL   1  10.184   7.842   3.658
    2   2H    VAL   1          2H        VAL   1   8.673   7.624   4.312
    3   3H    VAL   1          3H        VAL   1   9.000   7.119   2.775
    4    HA   VAL   1           HA       VAL   1  10.411   5.429   3.462
    5    HB   VAL   1           HB       VAL   1  10.760   4.926   5.867
    6   1HG1  VAL   1          1HG1      VAL   1  12.476   5.979   4.418
    7   2HG1  VAL   1          2HG1      VAL   1  11.917   7.590   4.929
    8   3HG1  VAL   1          3HG1      VAL   1  12.620   6.473   6.111
    9   1HG2  VAL   1          1HG2      VAL   1   8.997   6.321   6.919
   10   2HG2  VAL   1          2HG2      VAL   1  10.600   6.712   7.538
   11   3HG2  VAL   1          3HG2      VAL   1   9.827   7.797   6.373
   12    H    GLY   2           H        GLY   2   9.377   3.589   3.219
   13   1HA   GLY   2          1HA       GLY   2   7.765   1.890   3.697
   14   2HA   GLY   2          2HA       GLY   2   6.785   3.049   4.587
   15    H    GLU   3           H        GLU   3   7.887   4.325   1.577
   16    HA   GLU   3           HA       GLU   3   5.199   4.186   0.438
   17   1HB   GLU   3          1HB       GLU   3   6.339   5.237  -1.510
   18   2HB   GLU   3          2HB       GLU   3   6.125   6.113  -0.148
   19   1HG   GLU   3          1HG       GLU   3   8.663   4.986  -0.873
   20   2HG   GLU   3          2HG       GLU   3   8.226   6.512  -1.260
   21    H    CYS   4           H        CYS   4   4.630   3.318  -1.561
   22    HA   CYS   4           HA       CYS   4   5.512   0.596  -2.020
   23   1HB   CYS   4          1HB       CYS   4   3.748   2.379  -3.596
   24   2HB   CYS   4          2HB       CYS   4   3.827   0.754  -3.735
   25    H    VAL   5           H        VAL   5   6.133  -0.185  -4.203
   26    HA   VAL   5           HA       VAL   5   8.659   0.643  -4.992
   27    HB   VAL   5           HB       VAL   5   6.574  -0.803  -6.671
   28   1HG1  VAL   5          1HG1      VAL   5   9.577  -0.516  -7.137
   29   2HG1  VAL   5          2HG1      VAL   5   8.512  -1.648  -7.998
   30   3HG1  VAL   5          3HG1      VAL   5   8.292   0.092  -8.198
   31   1HG2  VAL   5          1HG2      VAL   5   7.797  -2.820  -5.994
   32   2HG2  VAL   5          2HG2      VAL   5   8.940  -1.839  -5.049
   33   3HG2  VAL   5          3HG2      VAL   5   7.241  -1.945  -4.561
   34    H    ARG   6           H        ARG   6   6.046   1.083  -7.312
   35    HA   ARG   6           HA       ARG   6   5.897   3.912  -6.646
   36   1HB   ARG   6          1HB       ARG   6   6.233   3.100  -9.466
   37   2HB   ARG   6          2HB       ARG   6   5.572   4.528  -9.028
   38   1HG   ARG   6          1HG       ARG   6   8.293   3.782  -8.490
   39   2HG   ARG   6          2HG       ARG   6   7.834   4.753  -9.721
   40   1HD   ARG   6          1HD       ARG   6   8.638   6.182  -8.123
   41   2HD   ARG   6          2HD       ARG   6   7.014   6.314  -8.011
   42    HE   ARG   6           HE       ARG   6   8.121   4.376  -6.259
   43   1HH1  ARG   6          1HH1      ARG   6   7.471   7.834  -6.319
   44   2HH1  ARG   6          2HH1      ARG   6   7.236   7.890  -4.604
   45   1HH2  ARG   6          1HH2      ARG   6   7.654   4.502  -4.115
   46   2HH2  ARG   6          2HH2      ARG   6   7.338   6.038  -3.379
   47    H    GLY   7           H        GLY   7   4.428   1.344  -6.225
   48   1HA   GLY   7          1HA       GLY   7   1.841   2.218  -6.061
   49   2HA   GLY   7          2HA       GLY   7   1.899   1.621  -7.714
   50    H    ARG   8           H        ARG   8   3.906  -0.614  -6.590
   51    HA   ARG   8           HA       ARG   8   1.943  -2.216  -5.076
   52   1HB   ARG   8          1HB       ARG   8   2.797  -4.072  -6.226
   53   2HB   ARG   8          2HB       ARG   8   2.403  -2.965  -7.360
   54   1HG   ARG   8          1HG       ARG   8   4.547  -2.658  -7.986
   55   2HG   ARG   8          2HG       ARG   8   5.137  -3.171  -6.552
   56   1HD   ARG   8          1HD       ARG   8   3.925  -4.940  -8.486
   57   2HD   ARG   8          2HD       ARG   8   5.540  -4.747  -8.341
   58    HE   ARG   8           HE       ARG   8   4.655  -5.482  -5.832
   59   1HH1  ARG   8          1HH1      ARG   8   4.879  -7.082  -8.965
   60   2HH1  ARG   8          2HH1      ARG   8   4.871  -8.646  -8.222
   61   1HH2  ARG   8          1HH2      ARG   8   4.609  -7.445  -4.992
   62   2HH2  ARG   8          2HH2      ARG   8   4.720  -8.848  -6.001
   63    H    CYS   9           H        CYS   9   3.167  -4.092  -4.004
   64    HA   CYS   9           HA       CYS   9   5.820  -3.436  -2.917
   65   1HB   CYS   9          1HB       CYS   9   3.444  -2.995  -1.538
   66   2HB   CYS   9          2HB       CYS   9   4.119  -4.313  -0.847
   67    HA   PRO  10           HA       PRO  10   6.025  -7.972  -3.052
   68   1HB   PRO  10          1HB       PRO  10   7.487  -8.697  -1.000
   69   2HB   PRO  10          2HB       PRO  10   8.136  -7.694  -2.114
   70   1HG   PRO  10          1HG       PRO  10   7.056  -6.961   0.473
   71   2HG   PRO  10          2HG       PRO  10   8.453  -6.439  -0.193
   72   1HD   PRO  10          1HD       PRO  10   6.213  -5.034  -0.362
   73   2HD   PRO  10          2HD       PRO  10   7.401  -4.904  -1.476
   74    H    SER  11           H        SER  11   5.899  -9.995  -1.537
   75    HA   SER  11           HA       SER  11   4.221 -11.467  -0.719
   76   1HB   SER  11          1HB       SER  11   5.701 -10.113   1.440
   77   2HB   SER  11          2HB       SER  11   5.084 -11.624   1.505
   78    HG   SER  11           HG       SER  11   7.238 -11.749   0.951
   79    H    GLY  12           H        GLY  12   2.133 -10.561  -1.232
   80   1HA   GLY  12          1HA       GLY  12  -0.050 -10.404  -0.548
   81   2HA   GLY  12          2HA       GLY  12   0.520 -10.738   1.085
   82    H    MET  13           H        MET  13   1.795  -7.767  -0.366
   83    HA   MET  13           HA       MET  13   0.631  -6.038   1.510
   84   1HB   MET  13          1HB       MET  13   1.455  -4.383  -0.024
   85   2HB   MET  13          2HB       MET  13   2.555  -5.582   0.113
   86   1HG   MET  13          1HG       MET  13   2.592  -5.616  -2.074
   87   2HG   MET  13          2HG       MET  13   1.142  -6.362  -1.978
   88   1HE   MET  13          1HE       MET  13   1.412  -5.505  -4.650
   89   2HE   MET  13          2HE       MET  13  -0.225  -5.833  -4.040
   90   3HE   MET  13          3HE       MET  13   0.089  -4.358  -4.975
   91    H    CYS  14           H        CYS  14  -0.604  -4.241   1.125
   92    HA   CYS  14           HA       CYS  14  -2.234  -4.009  -1.325
   93   1HB   CYS  14          1HB       CYS  14  -3.317  -3.620   1.389
   94   2HB   CYS  14          2HB       CYS  14  -4.033  -3.054   0.035
   95    H    CYS  15           H        CYS  15  -0.556  -2.494  -1.977
   96    HA   CYS  15           HA       CYS  15   0.270  -0.203  -0.617
   97   1HB   CYS  15          1HB       CYS  15   0.929  -0.851  -2.877
   98   2HB   CYS  15          2HB       CYS  15  -0.497  -0.315  -3.467
   99    H    SER  16           H        SER  16  -0.850   1.247   0.481
  100    HA   SER  16           HA       SER  16  -3.694   1.838   0.165
  101   1HB   SER  16          1HB       SER  16  -2.571   2.000   2.278
  102   2HB   SER  16          2HB       SER  16  -1.530   3.126   1.717
  103    HG   SER  16           HG       SER  16  -3.024   4.669   1.698
  104    H    GLN  17           H        GLN  17  -4.569   3.601  -0.930
  105    HA   GLN  17           HA       GLN  17  -3.150   4.360  -3.219
  106   1HB   GLN  17          1HB       GLN  17  -5.060   5.269  -3.962
  107   2HB   GLN  17          2HB       GLN  17  -5.614   4.178  -2.879
  108   1HG   GLN  17          1HG       GLN  17  -5.526   7.007  -2.376
  109   2HG   GLN  17          2HG       GLN  17  -6.866   6.217  -2.875
  110   1HE2  GLN  17          1HE2      GLN  17  -4.694   6.700  -0.116
  111   2HE2  GLN  17          2HE2      GLN  17  -5.777   5.834   0.983
  112    H    TRP  18           H        TRP  18  -2.644   5.875  -0.278
  113    HA   TRP  18           HA       TRP  18  -1.903   8.529  -1.247
  114   1HB   TRP  18          1HB       TRP  18  -0.932   7.118   1.151
  115   2HB   TRP  18          2HB       TRP  18  -1.005   8.730   0.897
  116    HD1  TRP  18           HD1      TRP  18  -2.707   6.032   2.505
  117    HE1  TRP  18           HE1      TRP  18  -5.190   6.503   3.001
  118    HE3  TRP  18           HE3      TRP  18  -3.181  10.547   0.168
  119    HZ2  TRP  18           HZ2      TRP  18  -6.957   8.783   2.899
  120    HZ3  TRP  18           HZ3      TRP  18  -5.283  11.853   0.379
  121    HH2  TRP  18           HH2      TRP  18  -7.172  10.985   1.732
  122    H    GLY  19           H        GLY  19  -0.638   5.396  -1.704
  123   1HA   GLY  19          1HA       GLY  19   1.232   4.954  -3.128
  124   2HA   GLY  19          2HA       GLY  19   2.016   6.435  -2.578
  125    H    TYR  20           H        TYR  20   0.550   4.329  -0.173
  126    HA   TYR  20           HA       TYR  20   3.298   3.707   0.821
  127   1HB   TYR  20          1HB       TYR  20   1.124   5.083   2.177
  128   2HB   TYR  20          2HB       TYR  20   2.173   4.197   3.061
  129    HD1  TYR  20           HD1      TYR  20   4.472   4.837   3.445
  130    HD2  TYR  20           HD2      TYR  20   1.879   7.093   0.832
  131    HE1  TYR  20           HE1      TYR  20   6.262   6.522   3.105
  132    HE2  TYR  20           HE2      TYR  20   3.676   8.785   0.522
  133    HH   TYR  20           HH       TYR  20   5.799   9.339   0.910
  134    H    CYS  21           H        CYS  21   3.726   1.978   2.078
  135    HA   CYS  21           HA       CYS  21   2.089  -0.282   1.162
  136   1HB   CYS  21          1HB       CYS  21   4.350  -0.018   0.500
  137   2HB   CYS  21          2HB       CYS  21   4.881  -0.015   2.044
  138    H    GLY  22           H        GLY  22   1.749  -2.152   2.329
  139   1HA   GLY  22          1HA       GLY  22   2.005  -2.982   4.888
  140   2HA   GLY  22          2HA       GLY  22   0.766  -1.723   5.019
  141    H    LYS  23           H        LYS  23  -0.678  -3.530   5.634
  142    HA   LYS  23           HA       LYS  23  -2.333  -4.236   3.422
  143   1HB   LYS  23          1HB       LYS  23  -2.456  -6.598   3.879
  144   2HB   LYS  23          2HB       LYS  23  -0.995  -6.175   3.284
  145   1HG   LYS  23          1HG       LYS  23  -1.100  -6.353   6.089
  146   2HG   LYS  23          2HG       LYS  23  -1.304  -7.776   5.315
  147   1HD   LYS  23          1HD       LYS  23   1.010  -6.100   4.915
  148   2HD   LYS  23          2HD       LYS  23   0.992  -7.356   5.960
  149   1HE   LYS  23          1HE       LYS  23   0.553  -8.845   4.142
  150   2HE   LYS  23          2HE       LYS  23   0.610  -7.584   3.106
  151   1HZ   LYS  23          1HZ       LYS  23   2.633  -8.753   3.013
  152   2HZ   LYS  23          2HZ       LYS  23   2.892  -7.260   3.644
  153   3HZ   LYS  23          3HZ       LYS  23   2.825  -8.573   4.641
  154    H    GLY  24           H        GLY  24  -4.384  -5.338   4.264
  155   1HA   GLY  24          1HA       GLY  24  -5.915  -5.746   6.085
  156   2HA   GLY  24          2HA       GLY  24  -5.039  -4.576   7.078
  157    HA   PRO  25           HA       PRO  25  -8.826  -2.772   4.944
  158   1HB   PRO  25          1HB       PRO  25 -10.127  -1.872   7.112
  159   2HB   PRO  25          2HB       PRO  25 -10.272  -3.414   6.593
  160   1HG   PRO  25          1HG       PRO  25  -8.595  -2.447   8.744
  161   2HG   PRO  25          2HG       PRO  25  -9.535  -3.782   8.752
  162   1HD   PRO  25          1HD       PRO  25  -6.984  -4.002   8.266
  163   2HD   PRO  25          2HD       PRO  25  -8.043  -4.988   7.509
  164    H    LYS  26           H        LYS  26  -6.279  -1.368   6.752
  165    HA   LYS  26           HA       LYS  26  -7.132   1.436   6.259
  166   1HB   LYS  26          1HB       LYS  26  -5.607   0.722   8.145
  167   2HB   LYS  26          2HB       LYS  26  -4.426   0.532   7.033
  168   1HG   LYS  26          1HG       LYS  26  -5.438   3.017   6.655
  169   2HG   LYS  26          2HG       LYS  26  -5.215   2.854   8.264
  170   1HD   LYS  26          1HD       LYS  26  -3.309   3.836   7.542
  171   2HD   LYS  26          2HD       LYS  26  -2.896   2.269   7.750
  172   1HE   LYS  26          1HE       LYS  26  -1.891   3.122   5.798
  173   2HE   LYS  26          2HE       LYS  26  -2.944   1.936   5.409
  174   1HZ   LYS  26          1HZ       LYS  26  -3.137   3.806   3.910
  175   2HZ   LYS  26          2HZ       LYS  26  -4.495   3.416   4.671
  176   3HZ   LYS  26          3HZ       LYS  26  -3.617   4.729   5.208
  177    H    TYR  27           H        TYR  27  -5.860  -1.141   4.522
  178    HA   TYR  27           HA       TYR  27  -4.084   0.494   2.777
  179   1HB   TYR  27          1HB       TYR  27  -3.832  -1.982   4.309
  180   2HB   TYR  27          2HB       TYR  27  -3.004  -1.889   2.904
  181    HD1  TYR  27           HD1      TYR  27  -1.470   0.133   2.509
  182    HD2  TYR  27           HD2      TYR  27  -2.828  -1.276   6.348
  183    HE1  TYR  27           HE1      TYR  27   0.377   1.366   3.613
  184    HE2  TYR  27           HE2      TYR  27  -0.892  -0.134   7.437
  185    HH   TYR  27           HH       TYR  27   1.739   0.951   5.537
  186    H    CYS  28           H        CYS  28  -5.954  -2.589   2.867
  187    HA   CYS  28           HA       CYS  28  -6.184  -2.759  -0.023
  188   1HB   CYS  28          1HB       CYS  28  -7.763  -4.103   2.066
  189   2HB   CYS  28          2HB       CYS  28  -7.533  -4.596   0.526
  190    H    GLY  29           H        GLY  29  -7.703  -0.738   2.263
  191   1HA   GLY  29          1HA       GLY  29  -9.748   0.055   0.248
  192   2HA   GLY  29          2HA       GLY  29 -10.284  -0.408   1.857
  193    H    ARG  30           H        ARG  30  -7.235   1.431   1.888
  194    HA   ARG  30           HA       ARG  30  -8.569   3.967   1.967
  195   1HB   ARG  30          1HB       ARG  30  -8.449   2.556   4.359
  196   2HB   ARG  30          2HB       ARG  30  -7.336   3.743   4.503
  197   1HG   ARG  30          1HG       ARG  30 -10.066   4.293   3.793
  198   2HG   ARG  30          2HG       ARG  30  -9.559   4.293   5.346
  199   1HD   ARG  30          1HD       ARG  30  -9.627   6.508   4.649
  200   2HD   ARG  30          2HD       ARG  30  -8.051   6.101   4.784
  201    HE   ARG  30           HE       ARG  30  -7.784   5.989   2.491
  202   1HH1  ARG  30          1HH1      ARG  30 -10.897   7.409   3.386
  203   2HH1  ARG  30          2HH1      ARG  30 -11.300   7.784   1.744
  204   1HH2  ARG  30          1HH2      ARG  30  -8.451   6.440   0.382
  205   2HH2  ARG  30          2HH2      ARG  30  -9.954   7.250   0.092
  Start of MODEL   23
    1   1H    VAL   1          1H        VAL   1  11.742   6.071   2.266
    2   2H    VAL   1          2H        VAL   1  10.103   5.881   2.146
    3   3H    VAL   1          3H        VAL   1  11.053   4.970   1.245
    4    HA   VAL   1           HA       VAL   1  11.988   3.854   3.140
    5    HB   VAL   1           HB       VAL   1  11.047   4.173   5.385
    6   1HG1  VAL   1          1HG1      VAL   1  12.411   6.650   4.236
    7   2HG1  VAL   1          2HG1      VAL   1  12.432   6.094   5.916
    8   3HG1  VAL   1          3HG1      VAL   1  13.225   5.124   4.669
    9   1HG2  VAL   1          1HG2      VAL   1   9.857   6.768   4.281
   10   2HG2  VAL   1          2HG2      VAL   1   8.939   5.374   4.904
   11   3HG2  VAL   1          3HG2      VAL   1   9.970   6.304   5.983
   12    H    GLY   2           H        GLY   2   8.502   4.584   2.753
   13   1HA   GLY   2          1HA       GLY   2   8.015   1.623   2.701
   14   2HA   GLY   2          2HA       GLY   2   7.066   2.668   3.749
   15    H    GLU   3           H        GLU   3   7.671   4.408   0.957
   16    HA   GLU   3           HA       GLU   3   5.109   4.301  -0.165
   17   1HB   GLU   3          1HB       GLU   3   6.194   5.423  -2.023
   18   2HB   GLU   3          2HB       GLU   3   6.486   6.121  -0.575
   19   1HG   GLU   3          1HG       GLU   3   8.426   4.521  -1.964
   20   2HG   GLU   3          2HG       GLU   3   8.370   6.150  -2.067
   21    H    CYS   4           H        CYS   4   4.266   3.403  -2.039
   22    HA   CYS   4           HA       CYS   4   5.086   0.745  -2.750
   23   1HB   CYS   4          1HB       CYS   4   3.396   2.549  -4.354
   24   2HB   CYS   4          2HB       CYS   4   3.382   0.916  -4.353
   25    H    VAL   5           H        VAL   5   6.239  -0.022  -4.437
   26    HA   VAL   5           HA       VAL   5   8.696   1.088  -4.780
   27    HB   VAL   5           HB       VAL   5   7.319  -0.903  -6.611
   28   1HG1  VAL   5          1HG1      VAL   5   9.207   0.016  -7.883
   29   2HG1  VAL   5          2HG1      VAL   5  10.278  -0.173  -6.480
   30   3HG1  VAL   5          3HG1      VAL   5   9.611  -1.600  -7.306
   31   1HG2  VAL   5          1HG2      VAL   5   7.588  -1.608  -4.249
   32   2HG2  VAL   5          2HG2      VAL   5   8.655  -2.541  -5.309
   33   3HG2  VAL   5          3HG2      VAL   5   9.317  -1.221  -4.324
   34    H    ARG   6           H        ARG   6   6.753   0.844  -7.708
   35    HA   ARG   6           HA       ARG   6   6.186   3.674  -7.481
   36   1HB   ARG   6          1HB       ARG   6   7.115   2.615 -10.080
   37   2HB   ARG   6          2HB       ARG   6   6.267   4.003  -9.927
   38   1HG   ARG   6          1HG       ARG   6   8.886   3.615  -8.804
   39   2HG   ARG   6          2HG       ARG   6   8.620   4.356 -10.235
   40   1HD   ARG   6          1HD       ARG   6   8.981   6.048  -8.719
   41   2HD   ARG   6          2HD       ARG   6   7.373   6.056  -9.003
   42    HE   ARG   6           HE       ARG   6   8.163   4.490  -6.764
   43   1HH1  ARG   6          1HH1      ARG   6   7.276   7.810  -7.498
   44   2HH1  ARG   6          2HH1      ARG   6   6.553   8.037  -5.941
   45   1HH2  ARG   6          1HH2      ARG   6   7.067   4.791  -4.882
   46   2HH2  ARG   6          2HH2      ARG   6   6.436   6.353  -4.482
   47    H    GLY   7           H        GLY   7   4.994   1.161  -6.818
   48   1HA   GLY   7          1HA       GLY   7   2.352   1.680  -7.098
   49   2HA   GLY   7          2HA       GLY   7   2.662   0.792  -8.590
   50    H    ARG   8           H        ARG   8   4.653  -1.102  -7.396
   51    HA   ARG   8           HA       ARG   8   2.760  -2.806  -5.935
   52   1HB   ARG   8          1HB       ARG   8   4.141  -4.535  -6.509
   53   2HB   ARG   8          2HB       ARG   8   4.145  -3.588  -7.839
   54   1HG   ARG   8          1HG       ARG   8   6.328  -3.121  -7.658
   55   2HG   ARG   8          2HG       ARG   8   6.339  -3.336  -6.039
   56   1HD   ARG   8          1HD       ARG   8   6.127  -5.518  -7.917
   57   2HD   ARG   8          2HD       ARG   8   7.536  -5.073  -7.223
   58    HE   ARG   8           HE       ARG   8   5.901  -5.551  -5.092
   59   1HH1  ARG   8          1HH1      ARG   8   7.122  -7.596  -7.691
   60   2HH1  ARG   8          2HH1      ARG   8   6.872  -9.027  -6.747
   61   1HH2  ARG   8          1HH2      ARG   8   5.577  -7.365  -4.009
   62   2HH2  ARG   8          2HH2      ARG   8   6.008  -8.897  -4.692
   63    H    CYS   9           H        CYS   9   3.837  -4.233  -4.256
   64    HA   CYS   9           HA       CYS   9   5.643  -2.927  -2.345
   65   1HB   CYS   9          1HB       CYS   9   2.744  -3.346  -2.051
   66   2HB   CYS   9          2HB       CYS   9   3.700  -3.406  -0.728
   67    HA   PRO  10           HA       PRO  10   6.717  -7.152  -1.555
   68   1HB   PRO  10          1HB       PRO  10   6.732  -7.522   1.108
   69   2HB   PRO  10          2HB       PRO  10   7.852  -6.628   0.326
   70   1HG   PRO  10          1HG       PRO  10   5.526  -5.658   1.742
   71   2HG   PRO  10          2HG       PRO  10   7.043  -5.055   1.807
   72   1HD   PRO  10          1HD       PRO  10   5.303  -3.918   0.263
   73   2HD   PRO  10          2HD       PRO  10   6.853  -4.037  -0.236
   74    H    SER  11           H        SER  11   6.295  -9.245  -0.152
   75    HA   SER  11           HA       SER  11   4.408 -10.682  -1.337
   76   1HB   SER  11          1HB       SER  11   5.378 -11.162   1.410
   77   2HB   SER  11          2HB       SER  11   4.817 -12.292   0.373
   78    HG   SER  11           HG       SER  11   7.052 -12.271   0.312
   79    H    GLY  12           H        GLY  12   2.288 -10.353  -1.546
   80   1HA   GLY  12          1HA       GLY  12   0.045 -10.309  -1.031
   81   2HA   GLY  12          2HA       GLY  12   0.455 -10.866   0.591
   82    H    MET  13           H        MET  13   1.785  -7.837  -0.673
   83    HA   MET  13           HA       MET  13   0.744  -6.070   1.254
   84   1HB   MET  13          1HB       MET  13   1.419  -4.439  -0.414
   85   2HB   MET  13          2HB       MET  13   2.559  -5.599  -0.268
   86   1HG   MET  13          1HG       MET  13   2.510  -5.549  -2.477
   87   2HG   MET  13          2HG       MET  13   1.259  -6.579  -2.269
   88   1HE   MET  13          1HE       MET  13   1.682  -5.285  -5.018
   89   2HE   MET  13          2HE       MET  13   0.258  -6.294  -4.670
   90   3HE   MET  13          3HE       MET  13   0.054  -4.693  -5.416
   91    H    CYS  14           H        CYS  14  -0.533  -4.222   0.901
   92    HA   CYS  14           HA       CYS  14  -2.202  -4.093  -1.526
   93   1HB   CYS  14          1HB       CYS  14  -3.380  -3.208   0.999
   94   2HB   CYS  14          2HB       CYS  14  -4.113  -3.502  -0.431
   95    H    CYS  15           H        CYS  15  -0.975  -2.453  -2.474
   96    HA   CYS  15           HA       CYS  15   0.250  -0.244  -1.169
   97   1HB   CYS  15          1HB       CYS  15   0.729  -0.825  -3.432
   98   2HB   CYS  15          2HB       CYS  15  -0.789  -0.478  -3.924
   99    H    SER  16           H        SER  16  -0.718   1.233   0.076
  100    HA   SER  16           HA       SER  16  -3.583   1.576   0.095
  101   1HB   SER  16          1HB       SER  16  -3.099   3.173   1.850
  102   2HB   SER  16          2HB       SER  16  -2.277   1.783   2.096
  103    HG   SER  16           HG       SER  16  -0.971   3.594   2.533
  104    H    GLN  17           H        GLN  17  -4.645   3.610   0.223
  105    HA   GLN  17           HA       GLN  17  -4.534   5.339  -2.014
  106   1HB   GLN  17          1HB       GLN  17  -5.641   6.336   0.492
  107   2HB   GLN  17          2HB       GLN  17  -6.247   6.429  -1.021
  108   1HG   GLN  17          1HG       GLN  17  -7.741   5.127   0.085
  109   2HG   GLN  17          2HG       GLN  17  -6.847   4.050  -0.756
  110   1HE2  GLN  17          1HE2      GLN  17  -6.306   2.131   0.440
  111   2HE2  GLN  17          2HE2      GLN  17  -5.853   2.345   2.147
  112    H    TRP  18           H        TRP  18  -2.551   5.380   0.852
  113    HA   TRP  18           HA       TRP  18  -1.707   8.189   0.638
  114   1HB   TRP  18          1HB       TRP  18  -0.727   5.901   2.223
  115   2HB   TRP  18          2HB       TRP  18  -0.216   7.444   2.382
  116    HD1  TRP  18           HD1      TRP  18  -0.853   6.187   4.892
  117    HE1  TRP  18           HE1      TRP  18  -2.765   7.007   6.394
  118    HE3  TRP  18           HE3      TRP  18  -3.824   8.473   1.345
  119    HZ2  TRP  18           HZ2      TRP  18  -5.285   8.346   6.099
  120    HZ3  TRP  18           HZ3      TRP  18  -5.970   9.467   2.004
  121    HH2  TRP  18           HH2      TRP  18  -6.719   9.421   4.367
  122    H    GLY  19           H        GLY  19  -1.083   5.420  -1.209
  123   1HA   GLY  19          1HA       GLY  19   0.587   4.925  -2.727
  124   2HA   GLY  19          2HA       GLY  19   1.419   6.431  -2.319
  125    H    TYR  20           H        TYR  20   0.560   4.282   0.276
  126    HA   TYR  20           HA       TYR  20   3.411   3.447   0.633
  127   1HB   TYR  20          1HB       TYR  20   1.634   4.873   2.366
  128   2HB   TYR  20          2HB       TYR  20   2.322   3.585   3.098
  129    HD1  TYR  20           HD1      TYR  20   4.333   3.876   4.267
  130    HD2  TYR  20           HD2      TYR  20   3.309   6.407   0.920
  131    HE1  TYR  20           HE1      TYR  20   6.526   5.037   4.468
  132    HE2  TYR  20           HE2      TYR  20   5.529   7.526   1.103
  133    HH   TYR  20           HH       TYR  20   7.547   7.498   2.044
  134    H    CYS  21           H        CYS  21   3.916   1.496   1.441
  135    HA   CYS  21           HA       CYS  21   2.102  -0.675   0.864
  136   1HB   CYS  21          1HB       CYS  21   4.772  -0.623   2.148
  137   2HB   CYS  21          2HB       CYS  21   4.028  -1.963   1.584
  138    H    GLY  22           H        GLY  22   1.398  -2.385   2.286
  139   1HA   GLY  22          1HA       GLY  22   1.638  -2.839   4.907
  140   2HA   GLY  22          2HA       GLY  22   0.461  -1.513   4.851
  141    H    LYS  23           H        LYS  23  -0.904  -3.302   5.732
  142    HA   LYS  23           HA       LYS  23  -2.418  -4.810   3.672
  143   1HB   LYS  23          1HB       LYS  23  -1.066  -5.860   6.102
  144   2HB   LYS  23          2HB       LYS  23  -2.273  -6.669   5.357
  145   1HG   LYS  23          1HG       LYS  23  -0.963  -7.283   3.629
  146   2HG   LYS  23          2HG       LYS  23   0.066  -6.032   3.841
  147   1HD   LYS  23          1HD       LYS  23   0.847  -7.076   5.873
  148   2HD   LYS  23          2HD       LYS  23  -0.109  -8.360   5.546
  149   1HE   LYS  23          1HE       LYS  23   1.985  -7.540   3.750
  150   2HE   LYS  23          2HE       LYS  23   2.249  -8.635   4.933
  151   1HZ   LYS  23          1HZ       LYS  23   0.338  -8.981   2.808
  152   2HZ   LYS  23          2HZ       LYS  23   1.832  -9.662   2.820
  153   3HZ   LYS  23          3HZ       LYS  23   0.711 -10.106   3.956
  154    H    GLY  24           H        GLY  24  -4.602  -5.369   4.533
  155   1HA   GLY  24          1HA       GLY  24  -6.271  -5.443   6.164
  156   2HA   GLY  24          2HA       GLY  24  -5.294  -4.443   7.234
  157    HA   PRO  25           HA       PRO  25  -9.017  -2.452   5.401
  158   1HB   PRO  25          1HB       PRO  25 -10.019  -1.269   7.595
  159   2HB   PRO  25          2HB       PRO  25 -10.257  -2.846   7.240
  160   1HG   PRO  25          1HG       PRO  25  -8.297  -1.747   9.068
  161   2HG   PRO  25          2HG       PRO  25  -9.255  -3.046   9.317
  162   1HD   PRO  25          1HD       PRO  25  -6.807  -3.409   8.535
  163   2HD   PRO  25          2HD       PRO  25  -7.981  -4.394   7.971
  164    H    LYS  26           H        LYS  26  -6.234  -0.910   6.285
  165    HA   LYS  26           HA       LYS  26  -7.272   1.714   5.266
  166   1HB   LYS  26          1HB       LYS  26  -5.441   1.203   7.403
  167   2HB   LYS  26          2HB       LYS  26  -4.789   2.206   6.291
  168   1HG   LYS  26          1HG       LYS  26  -7.346   2.667   7.531
  169   2HG   LYS  26          2HG       LYS  26  -5.964   3.365   8.051
  170   1HD   LYS  26          1HD       LYS  26  -7.111   3.861   5.457
  171   2HD   LYS  26          2HD       LYS  26  -7.324   4.848   6.741
  172   1HE   LYS  26          1HE       LYS  26  -5.616   5.948   5.919
  173   2HE   LYS  26          2HE       LYS  26  -4.718   4.776   6.617
  174   1HZ   LYS  26          1HZ       LYS  26  -4.014   5.083   4.397
  175   2HZ   LYS  26          2HZ       LYS  26  -4.732   3.585   4.512
  176   3HZ   LYS  26          3HZ       LYS  26  -5.545   4.814   3.852
  177    H    TYR  27           H        TYR  27  -5.913  -0.989   4.252
  178    HA   TYR  27           HA       TYR  27  -4.074   0.236   2.246
  179   1HB   TYR  27          1HB       TYR  27  -3.837  -2.153   3.962
  180   2HB   TYR  27          2HB       TYR  27  -2.863  -1.888   2.678
  181    HD1  TYR  27           HD1      TYR  27  -3.599  -0.945   6.091
  182    HD2  TYR  27           HD2      TYR  27  -1.167  -0.127   2.626
  183    HE1  TYR  27           HE1      TYR  27  -2.140   0.554   7.457
  184    HE2  TYR  27           HE2      TYR  27   0.238   1.412   3.970
  185    HH   TYR  27           HH       TYR  27   0.753   2.091   6.098
  186    H    CYS  28           H        CYS  28  -5.946  -2.784   2.929
  187    HA   CYS  28           HA       CYS  28  -6.647  -3.011   0.030
  188   1HB   CYS  28          1HB       CYS  28  -6.460  -4.828   2.255
  189   2HB   CYS  28          2HB       CYS  28  -7.786  -5.057   1.330
  190    H    GLY  29           H        GLY  29  -7.963  -1.674   2.899
  191   1HA   GLY  29          1HA       GLY  29 -10.104  -0.737   3.277
  192   2HA   GLY  29          2HA       GLY  29 -10.693  -1.455   1.778
  193    H    ARG  30           H        ARG  30  -9.205  -4.001   3.136
  194    HA   ARG  30           HA       ARG  30 -10.884  -4.652   5.397
  195   1HB   ARG  30          1HB       ARG  30 -12.060  -5.684   3.532
  196   2HB   ARG  30          2HB       ARG  30 -10.700  -6.435   3.028
  197   1HG   ARG  30          1HG       ARG  30 -11.577  -6.989   5.678
  198   2HG   ARG  30          2HG       ARG  30 -12.418  -7.676   4.458
  199   1HD   ARG  30          1HD       ARG  30 -10.569  -8.882   3.754
  200   2HD   ARG  30          2HD       ARG  30  -9.570  -8.027   4.722
  201    HE   ARG  30           HE       ARG  30 -11.167 -10.259   5.455
  202   1HH1  ARG  30          1HH1      ARG  30  -9.330  -7.553   6.835
  203   2HH1  ARG  30          2HH1      ARG  30  -9.198  -8.348   8.368
  204   1HH2  ARG  30          1HH2      ARG  30 -10.923 -11.163   7.460
  205   2HH2  ARG  30          2HH2      ARG  30 -10.069 -10.321   8.710
  Start of MODEL   24
    1   1H    VAL   1          1H        VAL   1   9.043   6.085   4.513
    2   2H    VAL   1          2H        VAL   1   9.510   5.721   2.973
    3   3H    VAL   1          3H        VAL   1  10.615   6.298   4.040
    4    HA   VAL   1           HA       VAL   1  10.833   3.917   3.660
    5    HB   VAL   1           HB       VAL   1   9.996   4.665   6.493
    6   1HG1  VAL   1          1HG1      VAL   1  11.479   2.771   7.155
    7   2HG1  VAL   1          2HG1      VAL   1  10.080   2.218   6.237
    8   3HG1  VAL   1          3HG1      VAL   1  11.668   2.330   5.443
    9   1HG2  VAL   1          1HG2      VAL   1  11.814   6.112   5.700
   10   2HG2  VAL   1          2HG2      VAL   1  12.451   4.933   6.841
   11   3HG2  VAL   1          3HG2      VAL   1  12.715   4.694   5.103
   12    H    GLY   2           H        GLY   2   9.595   2.465   2.689
   13   1HA   GLY   2          1HA       GLY   2   8.023   0.647   2.789
   14   2HA   GLY   2          2HA       GLY   2   7.078   1.520   3.992
   15    H    GLU   3           H        GLU   3   8.114   3.475   1.329
   16    HA   GLU   3           HA       GLU   3   5.396   3.846   0.367
   17   1HB   GLU   3          1HB       GLU   3   6.636   5.059  -1.465
   18   2HB   GLU   3          2HB       GLU   3   6.531   5.710   0.029
   19   1HG   GLU   3          1HG       GLU   3   8.916   4.414  -0.909
   20   2HG   GLU   3          2HG       GLU   3   8.671   6.022  -1.062
   21    H    CYS   4           H        CYS   4   4.454   3.238  -1.578
   22    HA   CYS   4           HA       CYS   4   5.196   0.641  -2.637
   23   1HB   CYS   4          1HB       CYS   4   3.441   2.584  -3.969
   24   2HB   CYS   4          2HB       CYS   4   3.381   0.953  -4.035
   25    H    VAL   5           H        VAL   5   6.117   0.142  -4.626
   26    HA   VAL   5           HA       VAL   5   8.387   1.525  -5.430
   27    HB   VAL   5           HB       VAL   5   6.695  -0.330  -7.139
   28   1HG1  VAL   5          1HG1      VAL   5   8.194   0.941  -8.616
   29   2HG1  VAL   5          2HG1      VAL   5   9.568   0.616  -7.541
   30   3HG1  VAL   5          3HG1      VAL   5   8.796  -0.708  -8.439
   31   1HG2  VAL   5          1HG2      VAL   5   8.355  -2.040  -6.468
   32   2HG2  VAL   5          2HG2      VAL   5   9.185  -0.845  -5.450
   33   3HG2  VAL   5          3HG2      VAL   5   7.541  -1.373  -5.049
   34    H    ARG   6           H        ARG   6   5.723   1.375  -7.726
   35    HA   ARG   6           HA       ARG   6   4.949   4.081  -7.000
   36   1HB   ARG   6          1HB       ARG   6   5.311   3.409  -9.855
   37   2HB   ARG   6          2HB       ARG   6   4.388   4.653  -9.338
   38   1HG   ARG   6          1HG       ARG   6   7.231   4.499  -8.936
   39   2HG   ARG   6          2HG       ARG   6   6.528   5.354 -10.137
   40   1HD   ARG   6          1HD       ARG   6   7.087   6.903  -8.542
   41   2HD   ARG   6          2HD       ARG   6   5.472   6.710  -8.396
   42    HE   ARG   6           HE       ARG   6   7.014   5.050  -6.674
   43   1HH1  ARG   6          1HH1      ARG   6   5.535   8.244  -6.718
   44   2HH1  ARG   6          2HH1      ARG   6   5.280   8.229  -5.005
   45   1HH2  ARG   6          1HH2      ARG   6   6.515   5.046  -4.524
   46   2HH2  ARG   6          2HH2      ARG   6   5.824   6.452  -3.786
   47    H    GLY   7           H        GLY   7   4.201   1.359  -6.456
   48   1HA   GLY   7          1HA       GLY   7   1.540   1.402  -6.052
   49   2HA   GLY   7          2HA       GLY   7   1.577   0.873  -7.734
   50    H    ARG   8           H        ARG   8   4.096  -0.691  -7.364
   51    HA   ARG   8           HA       ARG   8   3.056  -3.122  -6.151
   52   1HB   ARG   8          1HB       ARG   8   5.507  -2.321  -7.549
   53   2HB   ARG   8          2HB       ARG   8   5.666  -3.578  -6.519
   54   1HG   ARG   8          1HG       ARG   8   3.471  -4.045  -8.091
   55   2HG   ARG   8          2HG       ARG   8   4.725  -3.673  -9.070
   56   1HD   ARG   8          1HD       ARG   8   4.631  -6.018  -8.751
   57   2HD   ARG   8          2HD       ARG   8   6.007  -5.429  -8.097
   58    HE   ARG   8           HE       ARG   8   5.315  -5.953  -5.965
   59   1HH1  ARG   8          1HH1      ARG   8   2.754  -6.764  -8.253
   60   2HH1  ARG   8          2HH1      ARG   8   1.874  -7.639  -7.045
   61   1HH2  ARG   8          1HH2      ARG   8   4.097  -6.991  -4.497
   62   2HH2  ARG   8          2HH2      ARG   8   2.619  -7.764  -4.962
   63    H    CYS   9           H        CYS   9   3.873  -4.244  -4.480
   64    HA   CYS   9           HA       CYS   9   5.437  -3.025  -2.318
   65   1HB   CYS   9          1HB       CYS   9   2.533  -3.516  -2.332
   66   2HB   CYS   9          2HB       CYS   9   3.354  -3.673  -0.929
   67    HA   PRO  10           HA       PRO  10   6.621  -7.188  -1.719
   68   1HB   PRO  10          1HB       PRO  10   6.939  -7.504   0.911
   69   2HB   PRO  10          2HB       PRO  10   7.857  -6.443   0.074
   70   1HG   PRO  10          1HG       PRO  10   5.497  -5.838   1.648
   71   2HG   PRO  10          2HG       PRO  10   6.925  -5.046   1.679
   72   1HD   PRO  10          1HD       PRO  10   4.980  -4.115   0.229
   73   2HD   PRO  10          2HD       PRO  10   6.518  -3.985  -0.306
   74    H    SER  11           H        SER  11   6.430  -9.247  -0.241
   75    HA   SER  11           HA       SER  11   4.404 -10.732  -1.263
   76   1HB   SER  11          1HB       SER  11   6.345 -11.601  -0.078
   77   2HB   SER  11          2HB       SER  11   5.629 -11.303   1.359
   78    HG   SER  11           HG       SER  11   5.281 -13.441   0.691
   79    H    GLY  12           H        GLY  12   2.300 -10.834  -1.124
   80   1HA   GLY  12          1HA       GLY  12   0.129 -10.745  -0.377
   81   2HA   GLY  12          2HA       GLY  12   0.760 -11.042   1.242
   82    H    MET  13           H        MET  13   1.721  -8.126  -0.557
   83    HA   MET  13           HA       MET  13   0.944  -6.207   1.258
   84   1HB   MET  13          1HB       MET  13   1.164  -4.746  -0.618
   85   2HB   MET  13          2HB       MET  13   2.334  -5.883  -0.681
   86   1HG   MET  13          1HG       MET  13   0.003  -5.843  -2.357
   87   2HG   MET  13          2HG       MET  13   1.489  -5.359  -2.830
   88   1HE   MET  13          1HE       MET  13  -0.344  -9.322  -3.556
   89   2HE   MET  13          2HE       MET  13  -0.721  -8.566  -1.999
   90   3HE   MET  13          3HE       MET  13  -1.052  -7.690  -3.510
   91    H    CYS  14           H        CYS  14  -0.484  -4.521   1.173
   92    HA   CYS  14           HA       CYS  14  -1.679  -4.334  -1.381
   93   1HB   CYS  14          1HB       CYS  14  -3.535  -2.900  -0.150
   94   2HB   CYS  14          2HB       CYS  14  -3.755  -4.387  -0.790
   95    H    CYS  15           H        CYS  15  -1.367  -2.319  -2.266
   96    HA   CYS  15           HA       CYS  15   0.314  -0.361  -0.816
   97   1HB   CYS  15          1HB       CYS  15   0.930  -0.846  -3.056
   98   2HB   CYS  15          2HB       CYS  15  -0.576  -0.577  -3.628
   99    H    SER  16           H        SER  16  -0.670   1.225   0.305
  100    HA   SER  16           HA       SER  16  -3.524   1.719   0.215
  101   1HB   SER  16          1HB       SER  16  -1.919   2.153   2.118
  102   2HB   SER  16          2HB       SER  16  -1.462   3.516   1.343
  103    HG   SER  16           HG       SER  16  -3.086   3.958   2.884
  104    H    GLN  17           H        GLN  17  -4.624   3.557  -0.501
  105    HA   GLN  17           HA       GLN  17  -3.806   4.990  -2.826
  106   1HB   GLN  17          1HB       GLN  17  -6.086   4.687  -1.969
  107   2HB   GLN  17          2HB       GLN  17  -5.796   5.770  -0.782
  108   1HG   GLN  17          1HG       GLN  17  -5.331   6.798  -3.348
  109   2HG   GLN  17          2HG       GLN  17  -6.889   6.380  -3.093
  110   1HE2  GLN  17          1HE2      GLN  17  -4.317   8.507  -2.034
  111   2HE2  GLN  17          2HE2      GLN  17  -5.434   9.671  -1.288
  112    H    TRP  18           H        TRP  18  -2.800   5.372   0.435
  113    HA   TRP  18           HA       TRP  18  -1.916   8.157   0.322
  114   1HB   TRP  18          1HB       TRP  18  -1.416   5.917   2.177
  115   2HB   TRP  18          2HB       TRP  18  -0.830   7.425   2.397
  116    HD1  TRP  18           HD1      TRP  18  -4.320   5.957   1.910
  117    HE1  TRP  18           HE1      TRP  18  -5.906   6.950   3.622
  118    HE3  TRP  18           HE3      TRP  18  -1.048   9.165   4.230
  119    HZ2  TRP  18           HZ2      TRP  18  -5.804   8.971   5.705
  120    HZ3  TRP  18           HZ3      TRP  18  -1.837  10.609   6.085
  121    HH2  TRP  18           HH2      TRP  18  -4.200  10.523   6.832
  122    H    GLY  19           H        GLY  19  -0.768   5.282  -1.122
  123   1HA   GLY  19          1HA       GLY  19   1.098   5.114  -2.505
  124   2HA   GLY  19          2HA       GLY  19   1.803   6.559  -1.781
  125    H    TYR  20           H        TYR  20   0.771   4.150   0.478
  126    HA   TYR  20           HA       TYR  20   3.562   3.162   0.846
  127   1HB   TYR  20          1HB       TYR  20   1.748   4.341   2.815
  128   2HB   TYR  20          2HB       TYR  20   2.868   3.252   3.293
  129    HD1  TYR  20           HD1      TYR  20   5.174   3.792   3.601
  130    HD2  TYR  20           HD2      TYR  20   2.445   6.531   1.679
  131    HE1  TYR  20           HE1      TYR  20   6.986   5.463   3.373
  132    HE2  TYR  20           HE2      TYR  20   4.277   8.205   1.476
  133    HH   TYR  20           HH       TYR  20   6.453   8.623   1.741
  134    H    CYS  21           H        CYS  21   3.925   1.163   1.639
  135    HA   CYS  21           HA       CYS  21   1.930  -0.862   0.964
  136   1HB   CYS  21          1HB       CYS  21   4.678  -1.060   2.055
  137   2HB   CYS  21          2HB       CYS  21   3.812  -2.298   1.435
  138    H    GLY  22           H        GLY  22   1.087  -2.506   2.372
  139   1HA   GLY  22          1HA       GLY  22   1.746  -3.009   5.007
  140   2HA   GLY  22          2HA       GLY  22   0.441  -1.803   5.003
  141    H    LYS  23           H        LYS  23  -1.064  -3.367   5.782
  142    HA   LYS  23           HA       LYS  23  -2.337  -4.997   3.710
  143   1HB   LYS  23          1HB       LYS  23  -1.259  -6.131   6.220
  144   2HB   LYS  23          2HB       LYS  23  -2.468  -6.852   5.392
  145   1HG   LYS  23          1HG       LYS  23  -0.872  -8.000   4.436
  146   2HG   LYS  23          2HG       LYS  23  -0.637  -6.661   3.531
  147   1HD   LYS  23          1HD       LYS  23   1.001  -5.950   5.199
  148   2HD   LYS  23          2HD       LYS  23   0.875  -7.440   5.856
  149   1HE   LYS  23          1HE       LYS  23   1.841  -6.888   3.195
  150   2HE   LYS  23          2HE       LYS  23   2.779  -7.332   4.456
  151   1HZ   LYS  23          1HZ       LYS  23   1.671  -9.441   4.506
  152   2HZ   LYS  23          2HZ       LYS  23   0.782  -8.953   3.193
  153   3HZ   LYS  23          3HZ       LYS  23   2.398  -9.183   3.040
  154    H    GLY  24           H        GLY  24  -4.554  -5.526   4.338
  155   1HA   GLY  24          1HA       GLY  24  -6.519  -5.369   5.605
  156   2HA   GLY  24          2HA       GLY  24  -5.652  -4.464   6.849
  157    HA   PRO  25           HA       PRO  25  -8.630  -2.015   4.154
  158   1HB   PRO  25          1HB       PRO  25 -10.135  -0.902   6.077
  159   2HB   PRO  25          2HB       PRO  25 -10.399  -2.411   5.512
  160   1HG   PRO  25          1HG       PRO  25  -8.988  -1.679   7.934
  161   2HG   PRO  25          2HG       PRO  25 -10.103  -2.860   7.764
  162   1HD   PRO  25          1HD       PRO  25  -7.582  -3.477   7.703
  163   2HD   PRO  25          2HD       PRO  25  -8.624  -4.272   6.730
  164    H    LYS  26           H        LYS  26  -6.051  -0.970   5.892
  165    HA   LYS  26           HA       LYS  26  -6.556   1.946   5.444
  166   1HB   LYS  26          1HB       LYS  26  -5.673   0.964   7.630
  167   2HB   LYS  26          2HB       LYS  26  -4.237   0.833   6.863
  168   1HG   LYS  26          1HG       LYS  26  -5.471   3.382   6.817
  169   2HG   LYS  26          2HG       LYS  26  -4.828   2.905   8.240
  170   1HD   LYS  26          1HD       LYS  26  -2.767   3.263   7.559
  171   2HD   LYS  26          2HD       LYS  26  -3.060   2.657   6.071
  172   1HE   LYS  26          1HE       LYS  26  -3.908   5.298   6.865
  173   2HE   LYS  26          2HE       LYS  26  -2.512   5.026   6.062
  174   1HZ   LYS  26          1HZ       LYS  26  -4.079   5.607   4.442
  175   2HZ   LYS  26          2HZ       LYS  26  -3.873   3.963   4.331
  176   3HZ   LYS  26          3HZ       LYS  26  -5.189   4.538   5.032
  177    H    TYR  27           H        TYR  27  -5.419  -0.753   4.012
  178    HA   TYR  27           HA       TYR  27  -3.469   0.539   2.169
  179   1HB   TYR  27          1HB       TYR  27  -3.429  -2.041   3.603
  180   2HB   TYR  27          2HB       TYR  27  -2.408  -1.690   2.377
  181    HD1  TYR  27           HD1      TYR  27  -3.081  -1.238   5.874
  182    HD2  TYR  27           HD2      TYR  27  -0.766   0.170   2.532
  183    HE1  TYR  27           HE1      TYR  27  -1.583   0.007   7.435
  184    HE2  TYR  27           HE2      TYR  27   0.680   1.477   4.078
  185    HH   TYR  27           HH       TYR  27   1.264   1.777   6.287
  186    H    CYS  28           H        CYS  28  -5.621  -2.262   2.627
  187    HA   CYS  28           HA       CYS  28  -6.301  -2.521  -0.212
  188   1HB   CYS  28          1HB       CYS  28  -7.150  -3.791   2.308
  189   2HB   CYS  28          2HB       CYS  28  -7.852  -4.149   0.877
  190    H    GLY  29           H        GLY  29  -7.019  -0.050   1.743
  191   1HA   GLY  29          1HA       GLY  29  -9.719   0.395   0.637
  192   2HA   GLY  29          2HA       GLY  29  -9.615   0.303   2.390
  193    H    ARG  30           H        ARG  30  -8.490   2.013   3.535
  194    HA   ARG  30           HA       ARG  30  -8.632   4.541   1.958
  195   1HB   ARG  30          1HB       ARG  30 -10.300   3.529   4.059
  196   2HB   ARG  30          2HB       ARG  30  -9.799   5.054   4.361
  197   1HG   ARG  30          1HG       ARG  30 -10.908   4.470   1.790
  198   2HG   ARG  30          2HG       ARG  30 -11.932   4.688   3.043
  199   1HD   ARG  30          1HD       ARG  30 -11.523   6.682   1.664
  200   2HD   ARG  30          2HD       ARG  30 -11.338   6.899   3.272
  201    HE   ARG  30           HE       ARG  30  -8.896   6.623   2.928
  202   1HH1  ARG  30          1HH1      ARG  30 -10.639   7.777   0.044
  203   2HH1  ARG  30          2HH1      ARG  30  -9.119   8.183  -0.681
  204   1HH2  ARG  30          1HH2      ARG  30  -7.202   7.120   1.944
  205   2HH2  ARG  30          2HH2      ARG  30  -7.237   7.820   0.360