*HEADER    TOXIN                                   27-MAR-12   2LR9              
*TITLE     HIGH-RESOLUTION SOLUTION NMR STRUCTURE OF THE RHO-CONOTOXIN TIA.      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RHO-CONOTOXIN TIA;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RHO-TIA;                                                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS TULIPA;                                   
*SOURCE   4 ORGANISM_COMMON: FISH-HUNTING CONE SNAIL;                            
*SOURCE   5 ORGANISM_TAXID: 6495;                                                
*SOURCE   6 OTHER_DETAILS: PEPTIDE WAS MADE SYNTHETICALLY THROUGH SOLID PHASE    
*SOURCE   7 PEPTIDE CHEMISTRY.                                                   
*KEYWDS    RHO-CONOTOXIN, TOXIN                                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.ROSENGREN, R.J.LEWIS                                                
*REVDAT   1   02-MAY-12 2LR9    0                                                


!Distance restraints based on NOE intensities
assign (resid   8 and name   HB)   (resid  12 and name   HN)   2.985    1.185    1.185  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.335    0.535    0.535  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   2.935    1.135    1.135  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   2.440    0.640    0.640  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.485    0.685    0.685  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   2.720    0.920    0.920  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   3.125    1.325    1.325  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   3.045    1.245    1.245  
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   2.765    0.965    0.965  
assign (resid  17 and name  HB2)   (resid  18 and name   HN)   2.625    0.825    0.825  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.240    0.440    0.440  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.225    0.425    0.425  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.195    0.395    0.395  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.455    0.655    0.655  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   2.440    0.640    0.640  
assign (resid  14 and name  HB#)   (resid  15 and name   HN)   3.625    1.825    1.825  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   3.015    1.215    1.215  
assign (resid  13 and name  HB2)   (resid  14 and name   HN)   2.875    1.075    1.075  
assign (resid  13 and name  HB1)   (resid  14 and name   HN)   2.875    1.075    1.075  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.350    0.550    0.550  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.180    0.380    0.380  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   3.035    1.235    1.235  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.335    0.535    0.535  
assign (resid   1 and name  HB2)   (resid   2 and name   HN)   2.970    1.170    1.170  
assign (resid   1 and name  HB1)   (resid   2 and name   HN)   2.970    1.170    1.170  
assign (resid   2 and name   HA)   (resid   4 and name   HN)   3.075    1.275    1.275  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.580    0.780    0.780  
assign (resid   2 and name  HB#)   (resid   4 and name   HN)   3.720    1.920    1.920  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   3.345    1.545    1.545  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   2.625    0.825    0.825  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   2.580    0.780    0.780  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.520    0.720    0.720  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   2.690    0.890    0.890  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   2.315    0.515    0.515  
assign (resid   8 and name   HB)   (resid  11 and name   HN)   2.520    0.720    0.720  
assign (resid   9 and name   HA)   (resid  12 and name   HN)   2.985    1.185    1.185  
assign (resid  18 and name  HB2)   (resid  19 and name   HN)   2.705    0.905    0.905  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)   2.705    0.905    0.905  
assign (resid  16 and name  HB#)   (resid  17 and name   HN)   3.035    1.235    1.235  
assign (resid  14 and name   HA)   (resid  16 and name   HN)   3.260    1.460    1.460  
assign (resid  15 and name   HA)   (resid  17 and name   HN)   3.125    1.325    1.325  
assign (resid  11 and name   HA)   (resid  14 and name   HN)   2.815    1.015    1.015  
assign (resid  17 and name  HB1)   (resid  18 and name   HN)   2.625    0.825    0.825  
assign (resid  16 and name   HA)   (resid  19 and name   HN)   2.720    0.920    0.920  
assign (resid  17 and name   HA)   (resid  19 and name   HN)   3.200    1.400    1.400  
assign (resid  13 and name   HA)   (resid  15 and name   HN)   3.045    1.245    1.245  
assign (resid  12 and name   HA)   (resid  15 and name   HN)   3.030    1.230    1.230  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.440    0.640    0.640  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.350    0.550    0.550  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.365    0.565    0.565  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   2.455    0.655    0.655  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.380    0.580    0.580  
assign (resid  11 and name   HN)   (resid  13 and name   HN)   2.875    1.075    1.075  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   2.350    0.550    0.550  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.255    0.455    0.455  
assign (resid   3 and name   HA)   (resid   6 and name   HN)   2.765    0.965    0.965  
assign (resid  15 and name  HB2)   (resid  16 and name   HN)   3.450    1.650    1.650  
assign (resid  15 and name  HB1)   (resid  16 and name   HN)   3.495    1.695    1.695  
assign (resid  15 and name  HB1)   (resid  18 and name   HN)   3.030    1.230    1.230  
assign (resid   2 and name  HB#)   (resid   6 and name   HN)   3.670    1.870    1.870  
assign (resid   7 and name   HA)   (resid   7 and name  HB1)   2.365    0.565    0.565  
assign (resid   6 and name   HA)   (resid  12 and name   HA)   2.640    0.840    0.840  
assign (resid  11 and name   HA)   (resid  14 and name  HB#)   3.440    1.640    1.640  
assign (resid  16 and name   HA)   (resid  19 and name  HB2)   2.765    0.965    0.965  
assign (resid   5 and name   HA)   (resid   8 and name   HB)   2.675    0.875    0.875  
assign (resid   9 and name   HA)   (resid  12 and name  HB1)   2.535    0.735    0.735  
assign (resid   4 and name   HA)   (resid   6 and name   HN)   2.720    0.920    0.920  
assign (resid   8 and name   HA)   (resid   9 and name  HD2)   2.580    0.780    0.780  
assign (resid   8 and name   HA)   (resid   9 and name  HD1)   2.580    0.780    0.780  
assign (resid   8 and name   HB)   (resid  11 and name  HB1)   2.315    0.515    0.515  
assign (resid  13 and name  HG#)   (resid  14 and name   HN)   4.030    2.230    2.230  
assign (resid   4 and name  HG2)   (resid   5 and name   HN)   3.650    1.850    1.850  
assign (resid   4 and name  HG1)   (resid   5 and name   HN)   3.650    1.850    1.850  
assign (resid  14 and name  HB#)   (resid  15 and name  HE1)   3.890    2.090    2.090  
assign (resid  12 and name  HD#)   (resid  13 and name   HN)   4.090    2.290    2.290  
assign (resid   3 and name  HE3)   (resid   4 and name   HA)   3.400    1.600    1.600  
assign (resid   3 and name  HE3)   (resid   4 and name  HG2)   3.650    1.850    1.850  
assign (resid   3 and name  HB#)   (resid   4 and name   CB)   3.625    1.825    1.825  
assign (resid   2 and name  HB#)   (resid   3 and name  HD1)   4.090    2.290    2.290  
assign (resid  15 and name  HB1)   (resid  18 and name  HD#)   4.635    2.835    2.835  
assign (resid   1 and name  HD#)   (resid   3 and name   HA)   4.715    2.915    2.915  
assign (resid   1 and name  HD#)   (resid   5 and name  HB1)   4.715    2.915    2.915  
assign (resid   1 and name  HE#)   (resid   5 and name  HB1)   4.715    2.915    2.915  
assign (resid   1 and name  HE#)   (resid   3 and name   HA)   4.265    2.465    2.465  
assign (resid  11 and name   HA)   (resid  15 and name  HD2)   3.605    1.805    1.805  
assign (resid   8 and name   HA)   (resid   9 and name  HG1)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid   9 and name  HG2)   3.650    1.850    1.850  
assign (resid   3 and name  HE3)   (resid   4 and name  HG1)   3.650    1.850    1.850  
assign (resid   3 and name  HZ3)   (resid   4 and name  HG2)   3.650    1.850    1.850  
assign (resid   3 and name  HZ3)   (resid   4 and name  HG1)   3.650    1.850    1.850  
assign (resid   3 and name  HH2)   (resid   4 and name  HG2)   3.650    1.850    1.850  
assign (resid   3 and name  HH2)   (resid   4 and name  HG1)   3.650    1.850    1.850  
assign (resid   1 and name  HE#)   (resid   2 and name   HN)   4.715    2.915    2.915  
assign (resid   1 and name  HD#)   (resid   2 and name   HN)   4.715    2.915    2.915  
assign (resid  14 and name  HB#)   (resid  15 and name  HD2)   3.690    1.890    1.890  
assign (resid   1 and name  HE#)   (resid  15 and name  HB1)   4.315    2.515    2.515  
assign (resid   1 and name  HE#)   (resid  15 and name  HB2)   4.715    2.915    2.915  
assign (resid   5 and name   HA)   (resid  11 and name  HB2)   2.505    0.705    0.705  
assign (resid   5 and name   HA)   (resid  11 and name  HB1)   3.340    1.540    1.540  
assign (resid   6 and name  HB1)   (resid  19 and name  HB2)   2.365    0.565    0.565  
assign (resid   6 and name   HA)   (resid  12 and name  HB2)   2.485    0.685    0.685  
assign (resid   6 and name   HA)   (resid  12 and name  HB1)   2.795    0.995    0.995  
assign (resid   6 and name   HA)   (resid  12 and name  HG#)   3.795    1.995    1.995  
assign (resid   6 and name   HA)   (resid  19 and name  HB1)   3.435    1.635    1.635  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   3.340    1.540    1.540  
assign (resid   8 and name HG2#)   (resid  11 and name   HN)   2.875    1.075    1.075  
assign (resid   8 and name HG2#)   (resid  10 and name   HN)   2.965    1.165    1.165  
assign (resid   8 and name HG2#)   (resid  12 and name   HN)   4.160    2.360    2.360  
assign (resid   8 and name HD1#)   (resid  11 and name  HB1)   4.160    2.360    2.360  
assign (resid   5 and name   HA)   (resid   8 and name HD1#)   3.400    1.600    1.600  
assign (resid   8 and name HG2#)   (resid  11 and name  HB2)   3.570    1.770    1.770  
assign (resid   8 and name HG2#)   (resid  11 and name  HB1)   3.600    1.800    1.800  
assign (resid   8 and name HG2#)   (resid  10 and name  HB#)   4.110    2.310    2.310  
assign (resid   1 and name  HB#)   (resid   2 and name   HN)   2.715    0.915    0.915  
assign (resid   1 and name  HE#)   (resid  18 and name  HB#)   4.265    2.465    2.465  
assign (resid   8 and name   HN)   (resid   9 and name  HD#)   3.310    1.510    1.510  
assign (resid   8 and name   HA)   (resid   9 and name  HD#)   2.370    0.570    0.570  
assign (resid   8 and name HG2#)   (resid   9 and name  HD#)   3.200    1.400    1.400  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.565    0.765    0.765  
assign (resid  16 and name  HG#)   (resid  17 and name   HN)   3.570    1.770    1.770  
assign (resid  17 and name  HB#)   (resid  18 and name   HN)   2.360    0.560    0.560  
assign (resid  18 and name   HN)   (resid  18 and name  HB#)   2.140    0.340    0.340  
assign (resid  18 and name  HB#)   (resid  19 and name   HN)   2.480    0.680    0.680  
!Hbonds
assign (resid   5 and name   HN)   (resid   2 and name    O)   1.900    0.100    0.100  
assign (resid   5 and name    N)   (resid   2 and name    O)   2.400    0.600    0.600  
assign (resid   6 and name   HN)   (resid   3 and name    O)   1.900    0.100    0.100  
assign (resid   6 and name    N)   (resid   3 and name    O)   2.400    0.600    0.600  
assign (resid   7 and name   HN)   (resid   4 and name    O)   1.900    0.100    0.100  
assign (resid   7 and name    N)   (resid   4 and name    O)   2.400    0.600    0.600  
assign (resid   8 and name   HN)   (resid   5 and name    O)   1.900    0.100    0.100  
assign (resid   8 and name    N)   (resid   5 and name    O)   2.400    0.600    0.600  
assign (resid  11 and name   HN)   (resid   8 and name    O)   1.900    0.100    0.100  
assign (resid  11 and name    N)   (resid   8 and name    O)   2.400    0.600    0.600  
assign (resid  19 and name   HN)   (resid  15 and name    O)   1.900    0.100    0.100  
assign (resid  19 and name    N)   (resid  15 and name    O)   2.400    0.600    0.600 
!Dihedral angles
! phi angles

 !!   ASN 2
 assign (resid   1 and name C )   (resid  2 and name N ) 
        (resid   2 and name CA)   (resid  2 and name C )    1 -120.0   30.0  2 
 !!   TRP 3
 assign (resid   2 and name C )   (resid  3 and name N ) 
        (resid   3 and name CA)   (resid  3 and name C )    1 -60.0   30.0  2 
 !!   ARG 4 
 assign (resid   3 and name C )   (resid  4 and name N ) 
        (resid   4 and name CA)   (resid  4 and name C )    1 -60.0   30.0  2 
 !!   CYS 5
 assign (resid   4 and name C )   (resid  5 and name N ) 
        (resid   5 and name CA)   (resid  5 and name C )    1 -60.0   30.0  2 
 !!   CYS 6   
 assign (resid   5 and name C )   (resid   6 and name N ) 
        (resid   6 and name CA)   (resid   6 and name C )   1 -100.0   80.0  2
 !!   LEU 7   
 assign (resid   6 and name C )   (resid   7 and name N ) 
        (resid   7 and name CA)   (resid   7 and name C )   1 -120.0   30.0  2
 !!   ILE 8   
 assign (resid   7 and name C )   (resid   8 and name N ) 
        (resid   8 and name CA)   (resid   8 and name C )   1 -120.0   30.0  2
 !!   ALA 10  
 assign (resid   9 and name C )   (resid   10 and name N ) 
        (resid   10 and name CA)   (resid  10 and name C )  1 -60.0   30.0  2
 !!   CYS 11  
 assign (resid   10 and name C )   (resid  11 and name N ) 
        (resid   11 and name CA)   (resid  11 and name C )  1 -120.0   30.0  2
 !!   ARG 12  
 assign (resid   11 and name C )   (resid  12 and name N ) 
        (resid   12 and name CA)   (resid  12 and name C )  1 -60.0   30.0  2
 !!   ARG 13  
 assign (resid   12 and name C )   (resid  13 and name N ) 
        (resid   13 and name CA)   (resid  13 and name C )  1 -60.0   30.0  2
 !!   ASN 14  
 assign (resid   13 and name C )   (resid  14 and name N ) 
        (resid   14 and name CA)   (resid  14 and name C )  1 -120.0   30.0  2
 !!   HIS 15
 assign (resid   14 and name C )   (resid  15 and name N ) 
        (resid   15 and name CA)   (resid  15 and name C )  1 -120.0   30.0  2 
 !!   LYS 16 
 assign (resid   15 and name C )   (resid  16 and name N ) 
        (resid   16 and name CA)   (resid  16 and name C )  1 -60.0   30.0  2 
 !!   LYS 17 
 assign (resid   16 and name C )   (resid  17 and name N ) 
        (resid   17 and name CA)   (resid  17 and name C )  1 -60.0   30.0  2
 !!   CYS 19 
 assign (resid   18 and name C )   (resid  19 and name N ) 
        (resid   19 and name CA)   (resid  19 and name C )  1 -60.0   30.0  2 
!chi Angles

 !!    Arg 4 
assign (resid   4 and name N )   (resid  4 and name CA) 
       (resid   4 and name CB)   (resid  4 and name CG)    1   -60.0   30.0  2 
 !!    Cys  5 
assign (resid   5 and name N )   (resid  5 and name CA) 
       (resid   5 and name CB)   (resid  5 and name SG)    1   -60.0   30.0  2 
 !!    Cys  6 
assign (resid   6 and name N )   (resid  6 and name CA) 
       (resid   6 and name CB)   (resid  6 and name SG)    1   -60.0   30.0  2 
 !!    Leu  7 
assign (resid   7 and name N )   (resid  7 and name CA) 
       (resid   7 and name CB)   (resid  7 and name CG)    1   -60.0   30.0  2 
 !!    Cys 11   
assign (resid   11 and name N )  (resid  11 and name CA) 
       (resid   11 and name CB)  (resid  11 and name SG)   1  -180.0   30.0  2
 !!    Arg 12 
assign (resid   12 and name N )   (resid  12 and name CA) 
       (resid   12 and name CB)   (resid  12 and name CG)  1  -180.0   30.0  2 
  !!   His 15   
assign (resid   15 and name N )  (resid  15 and name CA) 
       (resid   15 and name CB)  (resid  15 and name CG)   1   -60.0   30.0  2
  !!   Cys 19   
assign (resid   19 and name N )  (resid  19 and name CA) 
       (resid   19 and name CB)  (resid  19 and name SG)   1   -60.0   30.0  2 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           1HT      PHE   1   4.629   7.374  -6.552
    2    H2   PHE   1           2HT      PHE   1   3.412   8.298  -5.822
    3    H3   PHE   1           3HT      PHE   1   3.095   7.469  -7.260
    4    HA   PHE   1           HA       PHE   1   3.305   5.366  -6.187
    5    HB2  PHE   1           2HB      PHE   1   5.040   5.899  -4.579
    6    HB3  PHE   1           1HB      PHE   1   3.989   7.049  -3.762
    7    HD1  PHE   1           2HD      PHE   1   4.126   3.435  -4.675
    8    HD2  PHE   1           1HD      PHE   1   2.887   6.376  -1.860
    9    HE1  PHE   1           2HE      PHE   1   3.365   1.657  -3.157
   10    HE2  PHE   1           1HE      PHE   1   2.124   4.603  -0.336
   11    HZ   PHE   1           HZ       PHE   1   2.361   2.239  -0.986
   12    H    ASN   2           H        ASN   2   1.420   4.415  -5.444
   13    HA   ASN   2           HA       ASN   2  -0.834   6.236  -5.137
   14    HB2  ASN   2           2HB      ASN   2  -1.023   4.382  -6.755
   15    HB3  ASN   2           1HB      ASN   2  -0.777   3.223  -5.452
   16   HD21  ASN   2          1HD2      ASN   2  -2.739   2.224  -5.728
   17   HD22  ASN   2          2HD2      ASN   2  -4.242   2.982  -5.342
   18    H    TRP   3           H        TRP   3  -0.801   6.971  -3.064
   19    HA   TRP   3           HA       TRP   3  -0.142   5.473  -0.788
   20    HB2  TRP   3           2HB      TRP   3  -1.410   7.304   0.448
   21    HB3  TRP   3           1HB      TRP   3  -0.083   7.833  -0.580
   22    HD1  TRP   3           HD       TRP   3  -0.711   9.220  -2.781
   23    HE1  TRP   3           1HE      TRP   3  -2.832  10.508  -3.456
   24    HE3  TRP   3           3HE      TRP   3  -3.971   7.280   0.652
   25    HZ2  TRP   3           2HZ      TRP   3  -5.529  10.682  -2.643
   26    HZ3  TRP   3           3HZ      TRP   3  -6.302   8.065   0.635
   27    HH2  TRP   3           HH       TRP   3  -7.063   9.732  -0.978
   28    H    ARG   4           H        ARG   4  -2.994   5.584  -2.667
   29    HA   ARG   4           HA       ARG   4  -4.894   4.792  -0.760
   30    HB2  ARG   4           2HB      ARG   4  -4.710   4.753  -3.718
   31    HB3  ARG   4           1HB      ARG   4  -5.918   3.719  -2.976
   32    HG2  ARG   4           2HG      ARG   4  -7.030   5.565  -1.999
   33    HG3  ARG   4           1HG      ARG   4  -5.688   6.651  -2.364
   34    HD2  ARG   4           2HD      ARG   4  -6.124   6.242  -4.790
   35    HD3  ARG   4           1HD      ARG   4  -7.570   5.350  -4.323
   36    HE   ARG   4           HE       ARG   4  -8.302   7.495  -3.250
   37   HH11  ARG   4          1HH1      ARG   4  -6.062   7.476  -5.933
   38   HH12  ARG   4          2HH1      ARG   4  -6.509   9.053  -6.493
   39   HH21  ARG   4          1HH2      ARG   4  -8.897   9.589  -3.974
   40   HH22  ARG   4          2HH2      ARG   4  -8.128  10.261  -5.372
   41    H    CYS   5           H        CYS   5  -2.423   3.120  -2.357
   42    HA   CYS   5           HA       CYS   5  -3.348   0.478  -2.226
   43    HB2  CYS   5           2HB      CYS   5  -0.663   1.770  -2.318
   44    HB3  CYS   5           1HB      CYS   5  -0.747   0.062  -1.900
   45    H    CYS   6           H        CYS   6  -1.976   2.615   0.167
   46    HA   CYS   6           HA       CYS   6  -1.425   0.581   2.102
   47    HB2  CYS   6           2HB      CYS   6  -1.927   3.474   2.769
   48    HB3  CYS   6           1HB      CYS   6  -0.844   2.327   3.557
   49    H    LEU   7           H        LEU   7  -4.272   2.003   0.998
   50    HA   LEU   7           HA       LEU   7  -5.729   1.450   3.463
   51    HB2  LEU   7           2HB      LEU   7  -6.779   2.554   0.857
   52    HB3  LEU   7           1HB      LEU   7  -7.624   2.521   2.393
   53    HG   LEU   7           HG       LEU   7  -5.108   4.111   1.885
   54   HD11  LEU   7          1HD1      LEU   7  -6.566   6.068   1.809
   55   HD12  LEU   7          2HD1      LEU   7  -7.982   5.021   1.918
   56   HD13  LEU   7          3HD1      LEU   7  -6.933   4.941   0.502
   57   HD21  LEU   7          3HD2      LEU   7  -5.452   3.514   4.222
   58   HD22  LEU   7          1HD2      LEU   7  -7.095   4.152   4.155
   59   HD23  LEU   7          2HD2      LEU   7  -5.719   5.239   3.970
   60    H    ILE   8           H        ILE   8  -4.795  -0.024   0.646
   61    HA   ILE   8           HA       ILE   8  -7.020  -1.958   0.706
   62    HB   ILE   8           HB       ILE   8  -5.033  -1.470  -1.527
   63   HG12  ILE   8          2HG1      ILE   8  -6.563   0.433  -1.263
   64   HG13  ILE   8          1HG1      ILE   8  -6.907  -0.451  -2.745
   65   HG21  ILE   8          1HG2      ILE   8  -7.511  -3.188  -1.433
   66   HG22  ILE   8          2HG2      ILE   8  -5.844  -3.760  -1.473
   67   HG23  ILE   8          3HG2      ILE   8  -6.515  -2.900  -2.859
   68   HD11  ILE   8          3HD1      ILE   8  -8.952   0.211  -1.631
   69   HD12  ILE   8          1HD1      ILE   8  -8.454  -0.641  -0.170
   70   HD13  ILE   8          2HD1      ILE   8  -8.797  -1.546  -1.645
   71    HA   PRO   9           HA       PRO   9  -4.050  -4.481   2.982
   72    HB2  PRO   9           2HB      PRO   9  -6.073  -6.482   2.065
   73    HB3  PRO   9           1HB      PRO   9  -5.335  -6.279   3.658
   74    HG2  PRO   9           2HG      PRO   9  -7.804  -5.412   3.204
   75    HG3  PRO   9           1HG      PRO   9  -6.680  -4.463   4.194
   76    HD2  PRO   9           2HD      PRO   9  -7.611  -3.994   1.407
   77    HD3  PRO   9           1HD      PRO   9  -7.160  -2.822   2.662
   78    H    ALA  10           H        ALA  10  -5.348  -5.345  -0.200
   79    HA   ALA  10           HA       ALA  10  -3.441  -7.361  -0.769
   80    HB1  ALA  10           1HB      ALA  10  -4.262  -7.238  -3.051
   81    HB2  ALA  10           2HB      ALA  10  -5.082  -5.718  -2.691
   82    HB3  ALA  10           3HB      ALA  10  -5.604  -7.210  -1.906
   83    H    CYS  11           H        CYS  11  -3.489  -3.873  -1.366
   84    HA   CYS  11           HA       CYS  11  -1.019  -4.062  -2.904
   85    HB2  CYS  11           2HB      CYS  11  -3.069  -2.454  -3.332
   86    HB3  CYS  11           1HB      CYS  11  -2.252  -1.441  -2.146
   87    H    ARG  12           H        ARG  12  -2.179  -3.030   0.225
   88    HA   ARG  12           HA       ARG  12   0.145  -1.690   1.110
   89    HB2  ARG  12           2HB      ARG  12  -2.116  -1.573   2.165
   90    HB3  ARG  12           1HB      ARG  12  -1.874  -3.193   2.776
   91    HG2  ARG  12           2HG      ARG  12  -0.007  -2.461   4.118
   92    HG3  ARG  12           1HG      ARG  12  -0.132  -0.834   3.445
   93    HD2  ARG  12           2HD      ARG  12  -1.149  -0.974   5.667
   94    HD3  ARG  12           1HD      ARG  12  -2.339  -0.576   4.429
   95    HE   ARG  12           HE       ARG  12  -2.029  -3.315   5.474
   96   HH11  ARG  12          1HH1      ARG  12  -4.018  -0.557   4.641
   97   HH12  ARG  12          2HH1      ARG  12  -5.510  -1.352   5.034
   98   HH21  ARG  12          1HH2      ARG  12  -3.998  -4.370   5.998
   99   HH22  ARG  12          2HH2      ARG  12  -5.497  -3.523   5.812
  100    H    ARG  13           H        ARG  13  -0.798  -5.023   0.987
  101    HA   ARG  13           HA       ARG  13   1.128  -6.105   2.730
  102    HB2  ARG  13           2HB      ARG  13  -0.819  -7.372   1.971
  103    HB3  ARG  13           1HB      ARG  13  -0.226  -7.335   0.320
  104    HG2  ARG  13           2HG      ARG  13   0.150  -9.504   1.349
  105    HG3  ARG  13           1HG      ARG  13   1.677  -8.715   0.956
  106    HD2  ARG  13           2HD      ARG  13   0.621  -8.227   3.669
  107    HD3  ARG  13           1HD      ARG  13   1.161  -9.871   3.330
  108    HE   ARG  13           HE       ARG  13   3.014  -7.780   2.562
  109   HH11  ARG  13          1HH1      ARG  13   2.026 -10.016   5.070
  110   HH12  ARG  13          2HH1      ARG  13   3.566 -10.016   5.860
  111   HH21  ARG  13          1HH2      ARG  13   5.047  -7.776   3.595
  112   HH22  ARG  13          2HH2      ARG  13   5.296  -8.735   5.016
  113    H    ASN  14           H        ASN  14   1.244  -5.220  -0.651
  114    HA   ASN  14           HA       ASN  14   3.912  -6.328  -0.986
  115    HB2  ASN  14           2HB      ASN  14   2.508  -6.611  -2.882
  116    HB3  ASN  14           1HB      ASN  14   1.980  -4.934  -2.837
  117   HD21  ASN  14          1HD2      ASN  14   4.588  -7.096  -3.665
  118   HD22  ASN  14          2HD2      ASN  14   5.444  -5.987  -4.675
  119    H    HIS  15           H        HIS  15   2.380  -3.291  -0.339
  120    HA   HIS  15           HA       HIS  15   4.965  -1.918  -0.688
  121    HB2  HIS  15           2HB      HIS  15   2.159  -0.789  -0.717
  122    HB3  HIS  15           1HB      HIS  15   3.623   0.188  -0.774
  123    HD1  HIS  15           1HD      HIS  15   5.217  -0.361  -2.936
  124    HD2  HIS  15           2HD      HIS  15   1.250  -1.569  -3.148
  125    HE1  HIS  15           1HE      HIS  15   4.763  -0.751  -5.375
  126    HE2  HIS  15           2HE      HIS  15   2.432  -1.702  -5.441
  127    H    LYS  16           H        LYS  16   4.387  -3.492   1.586
  128    HA   LYS  16           HA       LYS  16   3.465  -1.964   3.769
  129    HB2  LYS  16           2HB      LYS  16   3.596  -4.425   3.796
  130    HB3  LYS  16           1HB      LYS  16   5.352  -4.328   3.773
  131    HG2  LYS  16           2HG      LYS  16   4.519  -4.788   6.011
  132    HG3  LYS  16           1HG      LYS  16   5.332  -3.223   5.945
  133    HD2  LYS  16           2HD      LYS  16   2.853  -2.393   5.455
  134    HD3  LYS  16           1HD      LYS  16   2.459  -3.863   6.350
  135    HE2  LYS  16           2HE      LYS  16   2.561  -2.122   7.949
  136    HE3  LYS  16           1HE      LYS  16   4.044  -3.055   8.139
  137    HZ1  LYS  16           3HZ      LYS  16   5.080  -1.331   6.605
  138    HZ2  LYS  16           1HZ      LYS  16   4.707  -0.828   8.180
  139    HZ3  LYS  16           2HZ      LYS  16   3.701  -0.391   6.891
  140    H    LYS  17           H        LYS  17   6.474  -2.029   2.104
  141    HA   LYS  17           HA       LYS  17   8.047  -0.930   4.223
  142    HB2  LYS  17           2HB      LYS  17   8.461  -1.406   1.299
  143    HB3  LYS  17           1HB      LYS  17   9.569  -0.348   2.160
  144    HG2  LYS  17           2HG      LYS  17  10.032  -2.188   3.747
  145    HG3  LYS  17           1HG      LYS  17   8.992  -3.238   2.781
  146    HD2  LYS  17           2HD      LYS  17  10.449  -2.989   0.870
  147    HD3  LYS  17           1HD      LYS  17  11.442  -1.819   1.740
  148    HE2  LYS  17           2HE      LYS  17  12.055  -3.549   3.359
  149    HE3  LYS  17           1HE      LYS  17  11.059  -4.717   2.491
  150    HZ1  LYS  17           3HZ      LYS  17  13.370  -4.953   1.882
  151    HZ2  LYS  17           1HZ      LYS  17  13.457  -3.327   1.420
  152    HZ3  LYS  17           2HZ      LYS  17  12.486  -4.404   0.549
  153    H    PHE  18           H        PHE  18   6.192   0.343   1.557
  154    HA   PHE  18           HA       PHE  18   7.129   3.039   1.889
  155    HB2  PHE  18           2HB      PHE  18   4.806   1.908   0.314
  156    HB3  PHE  18           1HB      PHE  18   5.316   3.592   0.265
  157    HD1  PHE  18           1HD      PHE  18   7.442   4.214  -0.773
  158    HD2  PHE  18           2HD      PHE  18   6.022   0.203  -0.835
  159    HE1  PHE  18           1HE      PHE  18   9.036   3.681  -2.569
  160    HE2  PHE  18           2HE      PHE  18   7.616  -0.339  -2.630
  161    HZ   PHE  18           HZ       PHE  18   9.126   1.402  -3.499
  162    H    CYS  19           H        CYS  19   4.191   1.232   2.686
  163    HA   CYS  19           HA       CYS  19   3.130   3.549   4.094
  164    HB2  CYS  19           2HB      CYS  19   1.771   0.873   4.041
  165    HB3  CYS  19           1HB      CYS  19   1.064   2.480   4.118
  166    HN1  NH2  20           1H       CYS  19   4.755   3.605   5.705
  167    HN2  NH2  20           2H       CYS  19   4.720   2.514   7.044
  Start of MODEL    2
    1    H1   PHE   1           1HT      PHE   1   3.290   8.569  -5.491
    2    H2   PHE   1           2HT      PHE   1   3.113   7.791  -6.980
    3    H3   PHE   1           3HT      PHE   1   4.607   7.764  -6.187
    4    HA   PHE   1           HA       PHE   1   3.410   5.657  -5.988
    5    HB2  PHE   1           2HB      PHE   1   5.004   6.250  -4.254
    6    HB3  PHE   1           1HB      PHE   1   3.811   7.263  -3.449
    7    HD1  PHE   1           2HD      PHE   1   4.387   3.732  -4.490
    8    HD2  PHE   1           1HD      PHE   1   2.578   6.394  -1.704
    9    HE1  PHE   1           2HE      PHE   1   3.688   1.815  -3.116
   10    HE2  PHE   1           1HE      PHE   1   1.877   4.480  -0.326
   11    HZ   PHE   1           HZ       PHE   1   2.431   2.188  -1.032
   12    H    ASN   2           H        ASN   2   1.562   4.538  -5.355
   13    HA   ASN   2           HA       ASN   2  -0.839   6.173  -5.184
   14    HB2  ASN   2           2HB      ASN   2  -0.808   4.309  -6.786
   15    HB3  ASN   2           1HB      ASN   2  -0.511   3.174  -5.471
   16   HD21  ASN   2          1HD2      ASN   2  -2.389   2.030  -5.976
   17   HD22  ASN   2          2HD2      ASN   2  -3.959   2.641  -5.594
   18    H    TRP   3           H        TRP   3  -0.900   6.943  -3.121
   19    HA   TRP   3           HA       TRP   3  -0.293   5.516  -0.793
   20    HB2  TRP   3           2HB      TRP   3  -1.582   7.304   0.384
   21    HB3  TRP   3           1HB      TRP   3  -0.375   7.919  -0.739
   22    HD1  TRP   3           HD       TRP   3  -1.307   9.037  -3.036
   23    HE1  TRP   3           1HE      TRP   3  -3.562  10.157  -3.564
   24    HE3  TRP   3           3HE      TRP   3  -4.047   7.244   0.892
   25    HZ2  TRP   3           2HZ      TRP   3  -6.156  10.269  -2.462
   26    HZ3  TRP   3           3HZ      TRP   3  -6.408   7.909   1.083
   27    HH2  TRP   3           HH       TRP   3  -7.439   9.391  -0.560
   28    H    ARG   4           H        ARG   4  -3.086   5.486  -2.785
   29    HA   ARG   4           HA       ARG   4  -4.999   4.627  -0.926
   30    HB2  ARG   4           2HB      ARG   4  -4.749   4.573  -3.875
   31    HB3  ARG   4           1HB      ARG   4  -5.908   3.468  -3.158
   32    HG2  ARG   4           2HG      ARG   4  -5.864   6.441  -2.678
   33    HG3  ARG   4           1HG      ARG   4  -6.883   5.632  -3.870
   34    HD2  ARG   4           2HD      ARG   4  -6.936   5.240  -0.880
   35    HD3  ARG   4           1HD      ARG   4  -8.157   6.052  -1.858
   36    HE   ARG   4           HE       ARG   4  -7.885   3.470  -2.854
   37   HH11  ARG   4          1HH1      ARG   4  -8.943   5.030   0.090
   38   HH12  ARG   4          2HH1      ARG   4 -10.035   3.760   0.529
   39   HH21  ARG   4          1HH2      ARG   4  -9.330   1.782  -2.283
   40   HH22  ARG   4          2HH2      ARG   4 -10.254   1.906  -0.824
   41    H    CYS   5           H        CYS   5  -2.431   3.021  -2.451
   42    HA   CYS   5           HA       CYS   5  -3.277   0.352  -2.269
   43    HB2  CYS   5           2HB      CYS   5  -0.632   1.721  -2.375
   44    HB3  CYS   5           1HB      CYS   5  -0.669   0.020  -1.922
   45    H    CYS   6           H        CYS   6  -1.978   2.581   0.083
   46    HA   CYS   6           HA       CYS   6  -1.411   0.567   2.057
   47    HB2  CYS   6           2HB      CYS   6  -1.861   3.474   2.689
   48    HB3  CYS   6           1HB      CYS   6  -0.765   2.326   3.457
   49    H    LEU   7           H        LEU   7  -4.223   1.994   0.914
   50    HA   LEU   7           HA       LEU   7  -5.690   1.479   3.395
   51    HB2  LEU   7           2HB      LEU   7  -6.568   2.836   0.842
   52    HB3  LEU   7           1HB      LEU   7  -7.576   2.616   2.261
   53    HG   LEU   7           HG       LEU   7  -5.051   4.272   2.142
   54   HD11  LEU   7          1HD1      LEU   7  -6.554   6.178   2.398
   55   HD12  LEU   7          2HD1      LEU   7  -7.945   5.097   2.316
   56   HD13  LEU   7          3HD1      LEU   7  -6.892   5.287   0.914
   57   HD21  LEU   7          3HD2      LEU   7  -5.678   5.006   4.386
   58   HD22  LEU   7          1HD2      LEU   7  -5.395   3.266   4.339
   59   HD23  LEU   7          2HD2      LEU   7  -7.043   3.889   4.375
   60    H    ILE   8           H        ILE   8  -4.672  -0.136   0.796
   61    HA   ILE   8           HA       ILE   8  -7.019  -1.924   0.744
   62    HB   ILE   8           HB       ILE   8  -5.041  -1.461  -1.505
   63   HG12  ILE   8          2HG1      ILE   8  -7.969  -0.710  -1.422
   64   HG13  ILE   8          1HG1      ILE   8  -6.670   0.422  -1.063
   65   HG21  ILE   8          1HG2      ILE   8  -6.559  -2.867  -2.828
   66   HG22  ILE   8          2HG2      ILE   8  -7.543  -3.146  -1.391
   67   HG23  ILE   8          3HG2      ILE   8  -5.884  -3.742  -1.452
   68   HD11  ILE   8          3HD1      ILE   8  -7.460   0.674  -3.344
   69   HD12  ILE   8          1HD1      ILE   8  -7.082  -1.017  -3.673
   70   HD13  ILE   8          2HD1      ILE   8  -5.785   0.122  -3.314
   71    HA   PRO   9           HA       PRO   9  -4.077  -4.485   3.032
   72    HB2  PRO   9           2HB      PRO   9  -6.160  -6.436   2.130
   73    HB3  PRO   9           1HB      PRO   9  -5.390  -6.264   3.713
   74    HG2  PRO   9           2HG      PRO   9  -7.836  -5.318   3.305
   75    HG3  PRO   9           1HG      PRO   9  -6.668  -4.408   4.280
   76    HD2  PRO   9           2HD      PRO   9  -7.643  -3.891   1.519
   77    HD3  PRO   9           1HD      PRO   9  -7.111  -2.744   2.764
   78    H    ALA  10           H        ALA  10  -5.364  -5.296  -0.165
   79    HA   ALA  10           HA       ALA  10  -3.511  -7.379  -0.700
   80    HB1  ALA  10           1HB      ALA  10  -4.310  -7.249  -2.992
   81    HB2  ALA  10           2HB      ALA  10  -5.105  -5.714  -2.643
   82    HB3  ALA  10           3HB      ALA  10  -5.659  -7.192  -1.856
   83    H    CYS  11           H        CYS  11  -3.508  -3.901  -1.383
   84    HA   CYS  11           HA       CYS  11  -0.998  -4.156  -2.848
   85    HB2  CYS  11           2HB      CYS  11  -3.008  -2.577  -3.431
   86    HB3  CYS  11           1HB      CYS  11  -2.286  -1.520  -2.223
   87    H    ARG  12           H        ARG  12  -2.222  -3.087   0.230
   88    HA   ARG  12           HA       ARG  12   0.024  -1.639   1.131
   89    HB2  ARG  12           2HB      ARG  12  -2.192  -1.570   2.205
   90    HB3  ARG  12           1HB      ARG  12  -1.987  -3.221   2.735
   91    HG2  ARG  12           2HG      ARG  12   0.160  -2.311   3.886
   92    HG3  ARG  12           1HG      ARG  12  -0.644  -0.749   3.714
   93    HD2  ARG  12           2HD      ARG  12  -1.885  -3.169   5.017
   94    HD3  ARG  12           1HD      ARG  12  -1.064  -1.880   5.897
   95    HE   ARG  12           HE       ARG  12  -2.887  -0.498   4.514
   96   HH11  ARG  12          1HH1      ARG  12  -3.199  -3.406   6.442
   97   HH12  ARG  12          2HH1      ARG  12  -4.834  -3.078   6.902
   98   HH21  ARG  12          1HH2      ARG  12  -5.029  -0.059   5.109
   99   HH22  ARG  12          2HH2      ARG  12  -5.887  -1.162   6.137
  100    H    ARG  13           H        ARG  13  -0.790  -5.027   1.131
  101    HA   ARG  13           HA       ARG  13   1.261  -5.929   2.852
  102    HB2  ARG  13           2HB      ARG  13  -0.725  -7.270   2.228
  103    HB3  ARG  13           1HB      ARG  13  -0.092  -7.422   0.597
  104    HG2  ARG  13           2HG      ARG  13   1.812  -8.668   1.409
  105    HG3  ARG  13           1HG      ARG  13   1.277  -8.445   3.076
  106    HD2  ARG  13           2HD      ARG  13  -0.381  -9.826   0.976
  107    HD3  ARG  13           1HD      ARG  13   0.739 -10.679   2.038
  108    HE   ARG  13           HE       ARG  13  -0.817  -9.280   3.760
  109   HH11  ARG  13          1HH1      ARG  13  -1.521 -11.481   1.138
  110   HH12  ARG  13          2HH1      ARG  13  -2.978 -12.084   1.855
  111   HH21  ARG  13          1HH2      ARG  13  -2.744 -10.072   4.723
  112   HH22  ARG  13          2HH2      ARG  13  -3.678 -11.277   3.903
  113    H    ASN  14           H        ASN  14   1.191  -5.128  -0.530
  114    HA   ASN  14           HA       ASN  14   3.811  -6.287  -1.026
  115    HB2  ASN  14           2HB      ASN  14   2.276  -6.518  -2.836
  116    HB3  ASN  14           1HB      ASN  14   1.824  -4.819  -2.764
  117   HD21  ASN  14          1HD2      ASN  14   4.309  -7.085  -3.706
  118   HD22  ASN  14          2HD2      ASN  14   5.148  -6.017  -4.771
  119    H    HIS  15           H        HIS  15   2.373  -3.216  -0.311
  120    HA   HIS  15           HA       HIS  15   4.987  -1.916  -0.707
  121    HB2  HIS  15           2HB      HIS  15   2.214  -0.707  -0.710
  122    HB3  HIS  15           1HB      HIS  15   3.703   0.228  -0.780
  123    HD1  HIS  15           1HD      HIS  15   5.233  -0.265  -2.967
  124    HD2  HIS  15           2HD      HIS  15   1.287  -1.552  -3.122
  125    HE1  HIS  15           1HE      HIS  15   4.752  -0.664  -5.400
  126    HE2  HIS  15           2HE      HIS  15   2.441  -1.663  -5.431
  127    H    LYS  16           H        LYS  16   4.336  -3.487   1.566
  128    HA   LYS  16           HA       LYS  16   3.490  -1.927   3.758
  129    HB2  LYS  16           2HB      LYS  16   3.521  -4.405   3.743
  130    HB3  LYS  16           1HB      LYS  16   5.278  -4.366   3.772
  131    HG2  LYS  16           2HG      LYS  16   4.351  -4.813   5.980
  132    HG3  LYS  16           1HG      LYS  16   5.241  -3.290   5.950
  133    HD2  LYS  16           2HD      LYS  16   2.805  -2.355   5.382
  134    HD3  LYS  16           1HD      LYS  16   2.339  -3.794   6.291
  135    HE2  LYS  16           2HE      LYS  16   2.484  -2.056   7.879
  136    HE3  LYS  16           1HE      LYS  16   3.947  -3.017   8.086
  137    HZ1  LYS  16           3HZ      LYS  16   3.661  -0.355   6.821
  138    HZ2  LYS  16           1HZ      LYS  16   5.016  -1.330   6.529
  139    HZ3  LYS  16           2HZ      LYS  16   4.668  -0.814   8.103
  140    H    LYS  17           H        LYS  17   6.462  -2.086   2.064
  141    HA   LYS  17           HA       LYS  17   8.085  -1.062   4.197
  142    HB2  LYS  17           2HB      LYS  17   8.481  -1.830   1.377
  143    HB3  LYS  17           1HB      LYS  17   9.531  -0.547   1.959
  144    HG2  LYS  17           2HG      LYS  17  10.234  -2.010   3.818
  145    HG3  LYS  17           1HG      LYS  17   9.238  -3.301   3.142
  146    HD2  LYS  17           2HD      LYS  17  10.568  -3.349   1.139
  147    HD3  LYS  17           1HD      LYS  17  11.480  -1.931   1.661
  148    HE2  LYS  17           2HE      LYS  17  11.434  -4.573   3.115
  149    HE3  LYS  17           1HE      LYS  17  12.692  -4.075   1.984
  150    HZ1  LYS  17           3HZ      LYS  17  13.378  -3.647   4.240
  151    HZ2  LYS  17           1HZ      LYS  17  11.993  -2.720   4.534
  152    HZ3  LYS  17           2HZ      LYS  17  13.158  -2.176   3.435
  153    H    PHE  18           H        PHE  18   6.143   0.259   1.664
  154    HA   PHE  18           HA       PHE  18   7.280   2.915   1.962
  155    HB2  PHE  18           2HB      PHE  18   6.237   1.685  -0.197
  156    HB3  PHE  18           1HB      PHE  18   4.797   2.512   0.386
  157    HD1  PHE  18           2HD      PHE  18   5.076   5.052   0.895
  158    HD2  PHE  18           1HD      PHE  18   7.712   2.797  -1.569
  159    HE1  PHE  18           2HE      PHE  18   5.840   7.128  -0.180
  160    HE2  PHE  18           1HE      PHE  18   8.483   4.870  -2.648
  161    HZ   PHE  18           HZ       PHE  18   7.546   7.039  -1.954
  162    H    CYS  19           H        CYS  19   4.276   1.184   2.657
  163    HA   CYS  19           HA       CYS  19   3.172   3.553   3.944
  164    HB2  CYS  19           2HB      CYS  19   1.834   0.857   3.901
  165    HB3  CYS  19           1HB      CYS  19   1.102   2.451   3.994
  166    HN1  NH2  20           1H       CYS  19   4.670   3.710   5.641
  167    HN2  NH2  20           2H       CYS  19   4.605   2.656   7.008
  Start of MODEL    3
    1    H1   PHE   1           1HT      PHE   1   3.910   7.970  -4.177
    2    H2   PHE   1           2HT      PHE   1   3.642   8.182  -5.831
    3    H3   PHE   1           3HT      PHE   1   5.103   7.523  -5.290
    4    HA   PHE   1           HA       PHE   1   3.629   5.835  -6.203
    5    HB2  PHE   1           2HB      PHE   1   3.736   4.272  -4.301
    6    HB3  PHE   1           1HB      PHE   1   5.228   5.188  -4.460
    7    HD1  PHE   1           1HD      PHE   1   5.763   6.972  -2.840
    8    HD2  PHE   1           2HD      PHE   1   2.365   4.452  -2.363
    9    HE1  PHE   1           1HE      PHE   1   5.606   7.637  -0.475
   10    HE2  PHE   1           2HE      PHE   1   2.200   5.118  -0.000
   11    HZ   PHE   1           HZ       PHE   1   3.821   6.712   0.946
   12    H    ASN   2           H        ASN   2   1.784   4.323  -5.263
   13    HA   ASN   2           HA       ASN   2  -0.543   6.052  -5.033
   14    HB2  ASN   2           2HB      ASN   2  -0.562   4.212  -6.683
   15    HB3  ASN   2           1HB      ASN   2  -0.364   3.046  -5.378
   16   HD21  ASN   2          1HD2      ASN   2  -2.244   1.962  -5.563
   17   HD22  ASN   2          2HD2      ASN   2  -3.803   2.675  -5.350
   18    H    TRP   3           H        TRP   3  -0.518   6.769  -2.938
   19    HA   TRP   3           HA       TRP   3  -0.043   5.202  -0.660
   20    HB2  TRP   3           2HB      TRP   3  -1.238   7.065   0.560
   21    HB3  TRP   3           1HB      TRP   3   0.104   7.577  -0.456
   22    HD1  TRP   3           HD       TRP   3  -0.481   9.008  -2.640
   23    HE1  TRP   3           1HE      TRP   3  -2.570  10.354  -3.306
   24    HE3  TRP   3           3HE      TRP   3  -3.798   7.097   0.753
   25    HZ2  TRP   3           2HZ      TRP   3  -5.264  10.580  -2.501
   26    HZ3  TRP   3           3HZ      TRP   3  -6.111   7.935   0.738
   27    HH2  TRP   3           HH       TRP   3  -6.827   9.640  -0.856
   28    H    ARG   4           H        ARG   4  -2.762   5.435  -2.701
   29    HA   ARG   4           HA       ARG   4  -4.817   4.729  -0.934
   30    HB2  ARG   4           2HB      ARG   4  -4.420   4.603  -3.876
   31    HB3  ARG   4           1HB      ARG   4  -5.744   3.679  -3.188
   32    HG2  ARG   4           2HG      ARG   4  -6.881   5.573  -2.506
   33    HG3  ARG   4           1HG      ARG   4  -5.421   6.565  -2.498
   34    HD2  ARG   4           2HD      ARG   4  -6.809   7.199  -4.366
   35    HD3  ARG   4           1HD      ARG   4  -5.344   6.419  -4.959
   36    HE   ARG   4           HE       ARG   4  -7.971   5.080  -4.801
   37   HH11  ARG   4          1HH1      ARG   4  -4.875   5.603  -6.350
   38   HH12  ARG   4          2HH1      ARG   4  -5.227   4.573  -7.700
   39   HH21  ARG   4          1HH2      ARG   4  -8.440   3.699  -6.573
   40   HH22  ARG   4          2HH2      ARG   4  -7.262   3.483  -7.825
   41    H    CYS   5           H        CYS   5  -2.334   2.945  -2.414
   42    HA   CYS   5           HA       CYS   5  -3.362   0.340  -2.277
   43    HB2  CYS   5           2HB      CYS   5  -0.635   1.539  -2.318
   44    HB3  CYS   5           1HB      CYS   5  -0.782  -0.159  -1.878
   45    H    CYS   6           H        CYS   6  -2.000   2.458   0.125
   46    HA   CYS   6           HA       CYS   6  -1.539   0.436   2.102
   47    HB2  CYS   6           2HB      CYS   6  -1.993   3.329   2.768
   48    HB3  CYS   6           1HB      CYS   6  -0.887   2.173   3.508
   49    H    LEU   7           H        LEU   7  -4.328   1.945   0.934
   50    HA   LEU   7           HA       LEU   7  -5.837   1.465   3.385
   51    HB2  LEU   7           2HB      LEU   7  -6.788   2.590   0.749
   52    HB3  LEU   7           1HB      LEU   7  -7.687   2.575   2.254
   53    HG   LEU   7           HG       LEU   7  -5.114   4.097   1.835
   54   HD11  LEU   7          1HD1      LEU   7  -6.865   5.003   0.415
   55   HD12  LEU   7          2HD1      LEU   7  -6.525   6.095   1.759
   56   HD13  LEU   7          3HD1      LEU   7  -7.965   5.077   1.793
   57   HD21  LEU   7          3HD2      LEU   7  -7.154   4.160   4.055
   58   HD22  LEU   7          1HD2      LEU   7  -5.752   5.222   3.915
   59   HD23  LEU   7          2HD2      LEU   7  -5.526   3.488   4.154
   60    H    ILE   8           H        ILE   8  -4.842  -0.153   0.713
   61    HA   ILE   8           HA       ILE   8  -7.143  -2.000   0.744
   62    HB   ILE   8           HB       ILE   8  -5.124  -1.653  -1.485
   63   HG12  ILE   8          2HG1      ILE   8  -7.997  -0.718  -1.474
   64   HG13  ILE   8          1HG1      ILE   8  -6.641   0.339  -1.092
   65   HG21  ILE   8          1HG2      ILE   8  -6.713  -2.986  -2.797
   66   HG22  ILE   8          2HG2      ILE   8  -7.734  -3.162  -1.369
   67   HG23  ILE   8          3HG2      ILE   8  -6.119  -3.872  -1.391
   68   HD11  ILE   8          3HD1      ILE   8  -5.718  -0.034  -3.313
   69   HD12  ILE   8          1HD1      ILE   8  -7.360   0.602  -3.398
   70   HD13  ILE   8          2HD1      ILE   8  -7.062  -1.111  -3.695
   71    HA   PRO   9           HA       PRO   9  -4.210  -4.562   3.038
   72    HB2  PRO   9           2HB      PRO   9  -6.300  -6.536   2.220
   73    HB3  PRO   9           1HB      PRO   9  -5.537  -6.293   3.797
   74    HG2  PRO   9           2HG      PRO   9  -7.989  -5.389   3.353
   75    HG3  PRO   9           1HG      PRO   9  -6.826  -4.420   4.276
   76    HD2  PRO   9           2HD      PRO   9  -7.776  -4.076   1.469
   77    HD3  PRO   9           1HD      PRO   9  -7.335  -2.847   2.672
   78    H    ALA  10           H        ALA  10  -5.511  -5.278  -0.148
   79    HA   ALA  10           HA       ALA  10  -3.736  -7.435  -0.709
   80    HB1  ALA  10           1HB      ALA  10  -5.892  -7.185  -1.841
   81    HB2  ALA  10           2HB      ALA  10  -4.555  -7.267  -2.990
   82    HB3  ALA  10           3HB      ALA  10  -5.307  -5.714  -2.621
   83    H    CYS  11           H        CYS  11  -3.610  -3.950  -1.250
   84    HA   CYS  11           HA       CYS  11  -1.130  -4.259  -2.770
   85    HB2  CYS  11           2HB      CYS  11  -3.132  -2.669  -3.369
   86    HB3  CYS  11           1HB      CYS  11  -2.378  -1.598  -2.193
   87    H    ARG  12           H        ARG  12  -2.320  -3.163   0.313
   88    HA   ARG  12           HA       ARG  12  -0.133  -1.637   1.174
   89    HB2  ARG  12           2HB      ARG  12  -2.280  -1.692   2.348
   90    HB3  ARG  12           1HB      ARG  12  -2.007  -3.355   2.803
   91    HG2  ARG  12           2HG      ARG  12   0.116  -2.499   3.955
   92    HG3  ARG  12           1HG      ARG  12  -0.616  -0.903   3.794
   93    HD2  ARG  12           2HD      ARG  12  -2.120  -3.191   5.018
   94    HD3  ARG  12           1HD      ARG  12  -0.998  -2.223   5.973
   95    HE   ARG  12           HE       ARG  12  -2.948  -0.672   4.514
   96   HH11  ARG  12          1HH1      ARG  12  -2.304  -2.391   7.500
   97   HH12  ARG  12          2HH1      ARG  12  -3.451  -1.475   8.421
   98   HH21  ARG  12          1HH2      ARG  12  -4.455   0.532   5.721
   99   HH22  ARG  12          2HH2      ARG  12  -4.681   0.189   7.409
  100    H    ARG  13           H        ARG  13  -0.746  -5.078   1.256
  101    HA   ARG  13           HA       ARG  13   1.461  -5.802   2.874
  102    HB2  ARG  13           2HB      ARG  13  -0.184  -7.357   0.883
  103    HB3  ARG  13           1HB      ARG  13   1.120  -8.087   1.811
  104    HG2  ARG  13           2HG      ARG  13  -0.040  -7.456   3.890
  105    HG3  ARG  13           1HG      ARG  13  -1.365  -6.802   2.926
  106    HD2  ARG  13           2HD      ARG  13  -0.425  -9.667   2.966
  107    HD3  ARG  13           1HD      ARG  13  -1.896  -9.042   3.711
  108    HE   ARG  13           HE       ARG  13  -1.716  -8.529   0.887
  109   HH11  ARG  13          1HH1      ARG  13  -2.735 -10.817   3.326
  110   HH12  ARG  13          2HH1      ARG  13  -3.854 -11.630   2.285
  111   HH21  ARG  13          1HH2      ARG  13  -3.185  -9.600  -0.502
  112   HH22  ARG  13          2HH2      ARG  13  -4.111 -10.935   0.098
  113    H    ASN  14           H        ASN  14   1.179  -5.026  -0.490
  114    HA   ASN  14           HA       ASN  14   3.768  -6.186  -1.142
  115    HB2  ASN  14           2HB      ASN  14   2.071  -6.419  -2.834
  116    HB3  ASN  14           1HB      ASN  14   1.719  -4.697  -2.794
  117   HD21  ASN  14          1HD2      ASN  14   4.010  -7.128  -3.802
  118   HD22  ASN  14          2HD2      ASN  14   4.849  -6.139  -4.942
  119    H    HIS  15           H        HIS  15   2.355  -3.116  -0.363
  120    HA   HIS  15           HA       HIS  15   4.951  -1.829  -0.888
  121    HB2  HIS  15           2HB      HIS  15   2.183  -0.605  -0.860
  122    HB3  HIS  15           1HB      HIS  15   3.676   0.320  -0.994
  123    HD1  HIS  15           1HD      HIS  15   5.195  -0.408  -3.181
  124    HD2  HIS  15           2HD      HIS  15   1.157  -1.367  -3.244
  125    HE1  HIS  15           1HE      HIS  15   4.651  -0.859  -5.590
  126    HE2  HIS  15           2HE      HIS  15   2.268  -1.672  -5.558
  127    H    LYS  16           H        LYS  16   4.391  -3.337   1.424
  128    HA   LYS  16           HA       LYS  16   3.579  -1.786   3.625
  129    HB2  LYS  16           2HB      LYS  16   3.720  -4.251   3.654
  130    HB3  LYS  16           1HB      LYS  16   5.472  -4.147   3.568
  131    HG2  LYS  16           2HG      LYS  16   4.720  -4.601   5.836
  132    HG3  LYS  16           1HG      LYS  16   5.528  -3.036   5.734
  133    HD2  LYS  16           2HD      LYS  16   3.035  -2.210   5.327
  134    HD3  LYS  16           1HD      LYS  16   2.671  -3.678   6.237
  135    HE2  LYS  16           2HE      LYS  16   2.828  -1.945   7.834
  136    HE3  LYS  16           1HE      LYS  16   4.327  -2.863   7.964
  137    HZ1  LYS  16           3HZ      LYS  16   3.902  -0.192   6.767
  138    HZ2  LYS  16           1HZ      LYS  16   5.260  -1.122   6.367
  139    HZ3  LYS  16           2HZ      LYS  16   4.998  -0.652   7.970
  140    H    LYS  17           H        LYS  17   6.481  -1.814   1.815
  141    HA   LYS  17           HA       LYS  17   8.162  -0.703   3.854
  142    HB2  LYS  17           2HB      LYS  17   8.428  -1.450   1.018
  143    HB3  LYS  17           1HB      LYS  17   9.431  -0.100   1.527
  144    HG2  LYS  17           2HG      LYS  17  10.327  -1.510   3.352
  145    HG3  LYS  17           1HG      LYS  17   9.394  -2.865   2.713
  146    HD2  LYS  17           2HD      LYS  17  10.621  -2.817   0.653
  147    HD3  LYS  17           1HD      LYS  17  11.438  -1.325   1.121
  148    HE2  LYS  17           2HE      LYS  17  11.695  -3.952   2.578
  149    HE3  LYS  17           1HE      LYS  17  12.842  -3.359   1.377
  150    HZ1  LYS  17           3HZ      LYS  17  13.234  -1.421   2.791
  151    HZ2  LYS  17           1HZ      LYS  17  13.609  -2.861   3.596
  152    HZ3  LYS  17           2HZ      LYS  17  12.174  -2.039   3.955
  153    H    PHE  18           H        PHE  18   6.001   0.517   1.453
  154    HA   PHE  18           HA       PHE  18   7.012   3.229   1.665
  155    HB2  PHE  18           2HB      PHE  18   4.688   2.052   0.126
  156    HB3  PHE  18           1HB      PHE  18   5.128   3.755   0.093
  157    HD1  PHE  18           1HD      PHE  18   7.278   4.455  -0.905
  158    HD2  PHE  18           2HD      PHE  18   5.876   0.444  -1.144
  159    HE1  PHE  18           1HE      PHE  18   8.859   4.016  -2.738
  160    HE2  PHE  18           2HE      PHE  18   7.456  -0.004  -2.976
  161    HZ   PHE  18           HZ       PHE  18   8.950   1.784  -3.776
  162    H    CYS  19           H        CYS  19   4.168   1.351   2.575
  163    HA   CYS  19           HA       CYS  19   3.051   3.647   3.976
  164    HB2  CYS  19           2HB      CYS  19   1.809   0.919   4.042
  165    HB3  CYS  19           1HB      CYS  19   1.038   2.498   4.066
  166    HN1  NH2  20           1H       CYS  19   4.709   3.814   5.541
  167    HN2  NH2  20           2H       CYS  19   4.770   2.746   6.898
  Start of MODEL    4
    1    H1   PHE   1           1HT      PHE   1   4.581   7.653  -6.453
    2    H2   PHE   1           2HT      PHE   1   3.346   8.512  -5.680
    3    H3   PHE   1           3HT      PHE   1   3.031   7.703  -7.129
    4    HA   PHE   1           HA       PHE   1   3.422   5.581  -6.075
    5    HB2  PHE   1           2HB      PHE   1   5.031   6.342  -4.384
    6    HB3  PHE   1           1HB      PHE   1   3.772   7.278  -3.586
    7    HD1  PHE   1           2HD      PHE   1   4.564   3.783  -4.606
    8    HD2  PHE   1           1HD      PHE   1   2.641   6.349  -1.808
    9    HE1  PHE   1           2HE      PHE   1   4.009   1.838  -3.209
   10    HE2  PHE   1           1HE      PHE   1   2.085   4.408  -0.404
   11    HZ   PHE   1           HZ       PHE   1   2.768   2.148  -1.104
   12    H    ASN   2           H        ASN   2   1.574   4.480  -5.427
   13    HA   ASN   2           HA       ASN   2  -0.820   6.126  -5.257
   14    HB2  ASN   2           2HB      ASN   2  -0.815   4.234  -6.833
   15    HB3  ASN   2           1HB      ASN   2  -0.526   3.119  -5.500
   16   HD21  ASN   2          1HD2      ASN   2  -2.424   1.993  -5.971
   17   HD22  ASN   2          2HD2      ASN   2  -3.982   2.631  -5.589
   18    H    TRP   3           H        TRP   3  -0.827   6.932  -3.208
   19    HA   TRP   3           HA       TRP   3  -0.227   5.514  -0.867
   20    HB2  TRP   3           2HB      TRP   3  -1.532   7.363   0.276
   21    HB3  TRP   3           1HB      TRP   3  -0.211   7.890  -0.760
   22    HD1  TRP   3           HD       TRP   3  -0.859   9.170  -3.025
   23    HE1  TRP   3           1HE      TRP   3  -3.008  10.380  -3.759
   24    HE3  TRP   3           3HE      TRP   3  -4.082   7.299   0.476
   25    HZ2  TRP   3           2HZ      TRP   3  -5.710  10.525  -2.959
   26    HZ3  TRP   3           3HZ      TRP   3  -6.431   8.027   0.424
   27    HH2  TRP   3           HH       TRP   3  -7.227   9.607  -1.259
   28    H    ARG   4           H        ARG   4  -3.025   5.517  -2.840
   29    HA   ARG   4           HA       ARG   4  -4.952   4.752  -0.949
   30    HB2  ARG   4           2HB      ARG   4  -4.731   4.645  -3.902
   31    HB3  ARG   4           1HB      ARG   4  -5.924   3.599  -3.152
   32    HG2  ARG   4           2HG      ARG   4  -6.922   5.565  -2.054
   33    HG3  ARG   4           1HG      ARG   4  -5.743   6.592  -2.872
   34    HD2  ARG   4           2HD      ARG   4  -6.619   5.883  -5.037
   35    HD3  ARG   4           1HD      ARG   4  -7.780   4.829  -4.231
   36    HE   ARG   4           HE       ARG   4  -7.894   7.645  -3.525
   37   HH11  ARG   4          1HH1      ARG   4  -9.181   5.053  -5.488
   38   HH12  ARG   4          2HH1      ARG   4 -10.676   5.864  -5.816
   39   HH21  ARG   4          1HH2      ARG   4  -9.864   8.729  -3.955
   40   HH22  ARG   4          2HH2      ARG   4 -11.065   7.965  -4.941
   41    H    CYS   5           H        CYS   5  -2.444   3.060  -2.490
   42    HA   CYS   5           HA       CYS   5  -3.358   0.413  -2.245
   43    HB2  CYS   5           2HB      CYS   5  -0.679   1.708  -2.435
   44    HB3  CYS   5           1HB      CYS   5  -0.756   0.012  -1.969
   45    H    CYS   6           H        CYS   6  -1.987   2.665   0.031
   46    HA   CYS   6           HA       CYS   6  -1.356   0.722   2.036
   47    HB2  CYS   6           2HB      CYS   6  -1.890   3.635   2.573
   48    HB3  CYS   6           1HB      CYS   6  -0.807   2.537   3.428
   49    H    LEU   7           H        LEU   7  -4.240   2.049   0.925
   50    HA   LEU   7           HA       LEU   7  -5.655   1.574   3.440
   51    HB2  LEU   7           2HB      LEU   7  -6.733   2.654   0.834
   52    HB3  LEU   7           1HB      LEU   7  -7.552   2.654   2.385
   53    HG   LEU   7           HG       LEU   7  -5.029   4.208   1.799
   54   HD11  LEU   7          1HD1      LEU   7  -7.889   5.156   1.910
   55   HD12  LEU   7          2HD1      LEU   7  -6.895   5.032   0.458
   56   HD13  LEU   7          3HD1      LEU   7  -6.462   6.178   1.727
   57   HD21  LEU   7          3HD2      LEU   7  -5.332   3.627   4.154
   58   HD22  LEU   7          1HD2      LEU   7  -6.955   4.316   4.119
   59   HD23  LEU   7          2HD2      LEU   7  -5.551   5.357   3.888
   60    H    ILE   8           H        ILE   8  -4.633  -0.125   0.873
   61    HA   ILE   8           HA       ILE   8  -6.942  -1.959   0.928
   62    HB   ILE   8           HB       ILE   8  -4.976  -1.645  -1.352
   63   HG12  ILE   8          2HG1      ILE   8  -7.848  -0.704  -1.277
   64   HG13  ILE   8          1HG1      ILE   8  -6.477   0.357  -0.967
   65   HG21  ILE   8          1HG2      ILE   8  -7.562  -3.176  -1.110
   66   HG22  ILE   8          2HG2      ILE   8  -5.940  -3.855  -1.238
   67   HG23  ILE   8          3HG2      ILE   8  -6.639  -2.980  -2.599
   68   HD11  ILE   8          3HD1      ILE   8  -7.262   0.575  -3.252
   69   HD12  ILE   8          1HD1      ILE   8  -7.007  -1.149  -3.518
   70   HD13  ILE   8          2HD1      ILE   8  -5.630  -0.091  -3.212
   71    HA   PRO   9           HA       PRO   9  -3.916  -4.497   3.115
   72    HB2  PRO   9           2HB      PRO   9  -6.076  -6.491   2.655
   73    HB3  PRO   9           1HB      PRO   9  -5.238  -6.059   4.150
   74    HG2  PRO   9           2HG      PRO   9  -7.723  -5.224   3.708
   75    HG3  PRO   9           1HG      PRO   9  -6.534  -4.160   4.483
   76    HD2  PRO   9           2HD      PRO   9  -7.554  -4.138   1.672
   77    HD3  PRO   9           1HD      PRO   9  -7.158  -2.777   2.741
   78    H    ALA  10           H        ALA  10  -5.178  -4.943  -0.035
   79    HA   ALA  10           HA       ALA  10  -3.601  -7.322  -0.574
   80    HB1  ALA  10           1HB      ALA  10  -5.326  -5.686  -2.431
   81    HB2  ALA  10           2HB      ALA  10  -5.836  -7.127  -1.553
   82    HB3  ALA  10           3HB      ALA  10  -4.592  -7.248  -2.797
   83    H    CYS  11           H        CYS  11  -3.517  -3.856  -1.207
   84    HA   CYS  11           HA       CYS  11  -1.167  -4.199  -2.917
   85    HB2  CYS  11           2HB      CYS  11  -3.135  -2.570  -3.414
   86    HB3  CYS  11           1HB      CYS  11  -2.365  -1.531  -2.219
   87    H    ARG  12           H        ARG  12  -2.125  -2.974   0.221
   88    HA   ARG  12           HA       ARG  12   0.322  -1.696   0.874
   89    HB2  ARG  12           2HB      ARG  12  -1.973  -1.523   2.042
   90    HB3  ARG  12           1HB      ARG  12  -1.493  -2.977   2.899
   91    HG2  ARG  12           2HG      ARG  12   0.561  -1.774   3.646
   92    HG3  ARG  12           1HG      ARG  12  -0.115  -0.305   2.941
   93    HD2  ARG  12           2HD      ARG  12  -2.042  -0.467   4.417
   94    HD3  ARG  12           1HD      ARG  12  -1.411  -1.967   5.097
   95    HE   ARG  12           HE       ARG  12   0.580  -0.475   5.741
   96   HH11  ARG  12          1HH1      ARG  12  -2.739   0.627   5.587
   97   HH12  ARG  12          2HH1      ARG  12  -2.541   1.803   6.845
   98   HH21  ARG  12          1HH2      ARG  12   0.865   1.092   7.367
   99   HH22  ARG  12          2HH2      ARG  12  -0.477   2.073   7.862
  100    H    ARG  13           H        ARG  13  -0.698  -4.945   0.769
  101    HA   ARG  13           HA       ARG  13   1.088  -6.112   2.601
  102    HB2  ARG  13           2HB      ARG  13  -0.942  -7.152   1.432
  103    HB3  ARG  13           1HB      ARG  13   0.129  -7.424   0.066
  104    HG2  ARG  13           2HG      ARG  13   1.538  -8.852   1.385
  105    HG3  ARG  13           1HG      ARG  13   0.611  -8.481   2.841
  106    HD2  ARG  13           2HD      ARG  13  -0.344  -9.963   0.396
  107    HD3  ARG  13           1HD      ARG  13  -0.087 -10.624   2.011
  108    HE   ARG  13           HE       ARG  13  -2.010  -8.465   1.855
  109   HH11  ARG  13          1HH1      ARG  13  -1.511 -11.925   1.762
  110   HH12  ARG  13          2HH1      ARG  13  -3.142 -12.306   2.202
  111   HH21  ARG  13          1HH2      ARG  13  -4.160  -8.950   2.431
  112   HH22  ARG  13          2HH2      ARG  13  -4.660 -10.603   2.583
  113    H    ASN  14           H        ASN  14   1.379  -5.226  -0.771
  114    HA   ASN  14           HA       ASN  14   4.076  -6.302  -0.956
  115    HB2  ASN  14           2HB      ASN  14   2.826  -6.687  -2.917
  116    HB3  ASN  14           1HB      ASN  14   2.152  -5.063  -2.914
  117   HD21  ASN  14          1HD2      ASN  14   4.969  -6.992  -3.616
  118   HD22  ASN  14          2HD2      ASN  14   5.758  -5.826  -4.616
  119    H    HIS  15           H        HIS  15   2.442  -3.302  -0.438
  120    HA   HIS  15           HA       HIS  15   4.976  -1.837  -0.774
  121    HB2  HIS  15           2HB      HIS  15   2.126  -0.826  -0.804
  122    HB3  HIS  15           1HB      HIS  15   3.545   0.215  -0.858
  123    HD1  HIS  15           1HD      HIS  15   5.164  -0.255  -3.019
  124    HD2  HIS  15           2HD      HIS  15   1.261  -1.656  -3.237
  125    HE1  HIS  15           1HE      HIS  15   4.732  -0.659  -5.460
  126    HE2  HIS  15           2HE      HIS  15   2.442  -1.708  -5.533
  127    H    LYS  16           H        LYS  16   4.294  -3.445   1.523
  128    HA   LYS  16           HA       LYS  16   3.437  -1.818   3.677
  129    HB2  LYS  16           2HB      LYS  16   4.391  -3.636   5.105
  130    HB3  LYS  16           1HB      LYS  16   3.261  -4.199   3.883
  131    HG2  LYS  16           2HG      LYS  16   5.112  -4.921   2.480
  132    HG3  LYS  16           1HG      LYS  16   6.263  -4.321   3.676
  133    HD2  LYS  16           2HD      LYS  16   4.206  -6.473   4.176
  134    HD3  LYS  16           1HD      LYS  16   5.908  -6.767   3.814
  135    HE2  LYS  16           2HE      LYS  16   6.549  -5.535   5.827
  136    HE3  LYS  16           1HE      LYS  16   4.849  -5.234   6.185
  137    HZ1  LYS  16           3HZ      LYS  16   5.751  -7.098   7.455
  138    HZ2  LYS  16           1HZ      LYS  16   6.104  -7.919   6.019
  139    HZ3  LYS  16           2HZ      LYS  16   4.497  -7.593   6.434
  140    H    LYS  17           H        LYS  17   6.360  -1.965   1.975
  141    HA   LYS  17           HA       LYS  17   8.061  -1.138   4.129
  142    HB2  LYS  17           2HB      LYS  17   8.495  -2.200   1.633
  143    HB3  LYS  17           1HB      LYS  17   8.986  -0.527   1.424
  144    HG2  LYS  17           2HG      LYS  17  10.147  -1.257   3.827
  145    HG3  LYS  17           1HG      LYS  17  10.327  -2.687   2.809
  146    HD2  LYS  17           2HD      LYS  17  12.255  -1.220   2.573
  147    HD3  LYS  17           1HD      LYS  17  11.354  -1.305   1.060
  148    HE2  LYS  17           2HE      LYS  17  12.088   0.985   1.599
  149    HE3  LYS  17           1HE      LYS  17  10.334   0.841   1.501
  150    HZ1  LYS  17           3HZ      LYS  17  11.448   2.113   3.461
  151    HZ2  LYS  17           1HZ      LYS  17  11.636   0.566   4.121
  152    HZ3  LYS  17           2HZ      LYS  17  10.088   1.147   3.743
  153    H    PHE  18           H        PHE  18   6.008   0.362   1.866
  154    HA   PHE  18           HA       PHE  18   7.167   2.999   2.364
  155    HB2  PHE  18           2HB      PHE  18   5.061   2.037   0.424
  156    HB3  PHE  18           1HB      PHE  18   5.447   3.739   0.654
  157    HD1  PHE  18           1HD      PHE  18   7.749   4.547   0.123
  158    HD2  PHE  18           2HD      PHE  18   6.400   0.649  -0.927
  159    HE1  PHE  18           1HE      PHE  18   9.579   4.357  -1.509
  160    HE2  PHE  18           2HE      PHE  18   8.229   0.452  -2.559
  161    HZ   PHE  18           HZ       PHE  18   9.822   2.308  -2.853
  162    H    CYS  19           H        CYS  19   4.161   1.188   2.741
  163    HA   CYS  19           HA       CYS  19   2.980   3.411   4.220
  164    HB2  CYS  19           2HB      CYS  19   1.603   0.780   3.791
  165    HB3  CYS  19           1HB      CYS  19   0.907   2.384   3.957
  166    HN1  NH2  20           1H       CYS  19   4.940   2.800   5.707
  167    HN2  NH2  20           2H       CYS  19   4.532   1.786   7.047
  Start of MODEL    5
    1    H1   PHE   1           1HT      PHE   1   4.152   7.570  -3.902
    2    H2   PHE   1           2HT      PHE   1   3.933   7.868  -5.550
    3    H3   PHE   1           3HT      PHE   1   5.290   7.006  -5.021
    4    HA   PHE   1           HA       PHE   1   3.653   5.533  -5.987
    5    HB2  PHE   1           2HB      PHE   1   3.488   3.945  -4.121
    6    HB3  PHE   1           1HB      PHE   1   5.081   4.688  -4.165
    7    HD1  PHE   1           1HD      PHE   1   5.683   6.409  -2.483
    8    HD2  PHE   1           2HD      PHE   1   2.045   4.211  -2.259
    9    HE1  PHE   1           1HE      PHE   1   5.443   7.053  -0.122
   10    HE2  PHE   1           2HE      PHE   1   1.797   4.855   0.102
   11    HZ   PHE   1           HZ       PHE   1   3.497   6.278   1.173
   12    H    ASN   2           H        ASN   2   1.573   4.273  -5.157
   13    HA   ASN   2           HA       ASN   2  -0.497   6.309  -4.971
   14    HB2  ASN   2           2HB      ASN   2  -0.547   4.348  -6.621
   15    HB3  ASN   2           1HB      ASN   2  -0.930   3.332  -5.234
   16   HD21  ASN   2          1HD2      ASN   2  -2.570   3.751  -7.513
   17   HD22  ASN   2          2HD2      ASN   2  -4.028   4.505  -6.974
   18    H    TRP   3           H        TRP   3  -0.871   6.980  -2.969
   19    HA   TRP   3           HA       TRP   3  -0.421   5.528  -0.621
   20    HB2  TRP   3           2HB      TRP   3  -1.694   7.321   0.509
   21    HB3  TRP   3           1HB      TRP   3  -0.490   7.951  -0.608
   22    HD1  TRP   3           HD       TRP   3  -1.433   9.032  -2.929
   23    HE1  TRP   3           1HE      TRP   3  -3.692  10.150  -3.448
   24    HE3  TRP   3           3HE      TRP   3  -4.142   7.282   1.041
   25    HZ2  TRP   3           2HZ      TRP   3  -6.279  10.276  -2.324
   26    HZ3  TRP   3           3HZ      TRP   3  -6.500   7.952   1.246
   27    HH2  TRP   3           HH       TRP   3  -7.546   9.418  -0.402
   28    H    ARG   4           H        ARG   4  -3.075   5.472  -2.795
   29    HA   ARG   4           HA       ARG   4  -5.095   4.654  -1.022
   30    HB2  ARG   4           2HB      ARG   4  -4.702   4.548  -3.955
   31    HB3  ARG   4           1HB      ARG   4  -5.895   3.454  -3.273
   32    HG2  ARG   4           2HG      ARG   4  -5.859   6.443  -2.901
   33    HG3  ARG   4           1HG      ARG   4  -6.887   5.561  -4.035
   34    HD2  ARG   4           2HD      ARG   4  -7.957   4.395  -2.195
   35    HD3  ARG   4           1HD      ARG   4  -6.887   5.189  -1.042
   36    HE   ARG   4           HE       ARG   4  -8.354   7.065  -2.615
   37   HH11  ARG   4          1HH1      ARG   4  -8.576   4.932   0.147
   38   HH12  ARG   4          2HH1      ARG   4  -9.818   5.853   0.928
   39   HH21  ARG   4          1HH2      ARG   4  -9.998   8.295  -1.592
   40   HH22  ARG   4          2HH2      ARG   4 -10.630   7.773  -0.065
   41    H    CYS   5           H        CYS   5  -2.471   3.020  -2.444
   42    HA   CYS   5           HA       CYS   5  -3.333   0.350  -2.180
   43    HB2  CYS   5           2HB      CYS   5  -0.675   1.705  -2.323
   44    HB3  CYS   5           1HB      CYS   5  -0.738   0.005  -1.869
   45    H    CYS   6           H        CYS   6  -2.089   2.686   0.067
   46    HA   CYS   6           HA       CYS   6  -1.411   0.812   2.124
   47    HB2  CYS   6           2HB      CYS   6  -2.061   3.699   2.643
   48    HB3  CYS   6           1HB      CYS   6  -0.866   2.665   3.427
   49    H    LEU   7           H        LEU   7  -4.315   2.078   0.953
   50    HA   LEU   7           HA       LEU   7  -5.748   1.522   3.447
   51    HB2  LEU   7           2HB      LEU   7  -6.467   2.988   0.925
   52    HB3  LEU   7           1HB      LEU   7  -7.724   2.406   1.997
   53    HG   LEU   7           HG       LEU   7  -7.424   4.648   2.594
   54   HD11  LEU   7          1HD1      LEU   7  -7.511   3.205   4.536
   55   HD12  LEU   7          2HD1      LEU   7  -6.469   4.593   4.850
   56   HD13  LEU   7          3HD1      LEU   7  -5.758   3.017   4.502
   57   HD21  LEU   7          3HD2      LEU   7  -5.250   5.681   3.024
   58   HD22  LEU   7          1HD2      LEU   7  -5.359   5.062   1.376
   59   HD23  LEU   7          2HD2      LEU   7  -4.446   4.170   2.593
   60    H    ILE   8           H        ILE   8  -4.651  -0.103   0.888
   61    HA   ILE   8           HA       ILE   8  -6.948  -1.952   0.838
   62    HB   ILE   8           HB       ILE   8  -4.955  -1.506  -1.394
   63   HG12  ILE   8          2HG1      ILE   8  -7.883  -0.756  -1.337
   64   HG13  ILE   8          1HG1      ILE   8  -6.582   0.383  -1.013
   65   HG21  ILE   8          1HG2      ILE   8  -7.452  -3.195  -1.272
   66   HG22  ILE   8          2HG2      ILE   8  -5.791  -3.787  -1.308
   67   HG23  ILE   8          3HG2      ILE   8  -6.455  -2.941  -2.705
   68   HD11  ILE   8          3HD1      ILE   8  -7.383   0.568  -3.298
   69   HD12  ILE   8          1HD1      ILE   8  -6.998  -1.129  -3.581
   70   HD13  ILE   8          2HD1      ILE   8  -5.705   0.028  -3.257
   71    HA   PRO   9           HA       PRO   9  -3.894  -4.444   3.058
   72    HB2  PRO   9           2HB      PRO   9  -6.057  -6.433   2.558
   73    HB3  PRO   9           1HB      PRO   9  -5.199  -6.053   4.055
   74    HG2  PRO   9           2HG      PRO   9  -7.680  -5.187   3.672
   75    HG3  PRO   9           1HG      PRO   9  -6.472  -4.153   4.455
   76    HD2  PRO   9           2HD      PRO   9  -7.549  -4.041   1.672
   77    HD3  PRO   9           1HD      PRO   9  -7.092  -2.715   2.761
   78    H    ALA  10           H        ALA  10  -5.295  -5.026  -0.061
   79    HA   ALA  10           HA       ALA  10  -3.690  -7.349  -0.635
   80    HB1  ALA  10           1HB      ALA  10  -5.905  -7.079  -1.640
   81    HB2  ALA  10           2HB      ALA  10  -4.648  -7.216  -2.869
   82    HB3  ALA  10           3HB      ALA  10  -5.343  -5.640  -2.491
   83    H    CYS  11           H        CYS  11  -3.518  -3.882  -1.258
   84    HA   CYS  11           HA       CYS  11  -1.163  -4.265  -2.946
   85    HB2  CYS  11           2HB      CYS  11  -3.051  -2.591  -3.474
   86    HB3  CYS  11           1HB      CYS  11  -2.349  -1.598  -2.202
   87    H    ARG  12           H        ARG  12  -2.090  -2.971   0.196
   88    HA   ARG  12           HA       ARG  12   0.416  -1.803   0.823
   89    HB2  ARG  12           2HB      ARG  12  -1.905  -1.550   1.982
   90    HB3  ARG  12           1HB      ARG  12  -1.387  -2.933   2.926
   91    HG2  ARG  12           2HG      ARG  12   0.679  -1.658   3.519
   92    HG3  ARG  12           1HG      ARG  12  -0.046  -0.249   2.745
   93    HD2  ARG  12           2HD      ARG  12  -1.906  -0.324   4.301
   94    HD3  ARG  12           1HD      ARG  12  -1.255  -1.786   5.042
   95    HE   ARG  12           HE       ARG  12   0.765  -0.245   5.511
   96   HH11  ARG  12          1HH1      ARG  12  -2.588   0.768   5.517
   97   HH12  ARG  12          2HH1      ARG  12  -2.345   1.999   6.715
   98   HH21  ARG  12          1HH2      ARG  12   1.104   1.393   7.056
   99   HH22  ARG  12          2HH2      ARG  12  -0.234   2.358   7.593
  100    H    ARG  13           H        ARG  13  -0.702  -5.012   0.744
  101    HA   ARG  13           HA       ARG  13   0.969  -6.236   2.625
  102    HB2  ARG  13           2HB      ARG  13  -0.953  -7.314   1.421
  103    HB3  ARG  13           1HB      ARG  13   0.066  -7.414  -0.007
  104    HG2  ARG  13           2HG      ARG  13   1.569  -8.915   1.086
  105    HG3  ARG  13           1HG      ARG  13   0.747  -8.689   2.631
  106    HD2  ARG  13           2HD      ARG  13  -0.443  -9.929   0.152
  107    HD3  ARG  13           1HD      ARG  13   0.104 -10.800   1.584
  108    HE   ARG  13           HE       ARG  13  -1.669  -9.294   2.733
  109   HH11  ARG  13          1HH1      ARG  13  -1.926 -10.727  -0.445
  110   HH12  ARG  13          2HH1      ARG  13  -3.653 -10.842  -0.401
  111   HH21  ARG  13          1HH2      ARG  13  -3.953  -9.438   2.805
  112   HH22  ARG  13          2HH2      ARG  13  -4.811 -10.107   1.458
  113    H    ASN  14           H        ASN  14   1.497  -5.367  -0.739
  114    HA   ASN  14           HA       ASN  14   4.259  -6.322  -0.610
  115    HB2  ASN  14           2HB      ASN  14   3.121  -6.980  -2.611
  116    HB3  ASN  14           1HB      ASN  14   2.513  -5.352  -2.880
  117   HD21  ASN  14          1HD2      ASN  14   5.340  -7.407  -2.990
  118   HD22  ASN  14          2HD2      ASN  14   6.263  -6.399  -4.046
  119    H    HIS  15           H        HIS  15   2.376  -3.465  -0.437
  120    HA   HIS  15           HA       HIS  15   4.728  -1.752  -0.868
  121    HB2  HIS  15           2HB      HIS  15   1.775  -1.114  -0.761
  122    HB3  HIS  15           1HB      HIS  15   3.025   0.122  -0.817
  123    HD1  HIS  15           1HD      HIS  15   1.548   0.654  -3.095
  124    HD2  HIS  15           2HD      HIS  15   4.023  -2.680  -3.143
  125    HE1  HIS  15           1HE      HIS  15   1.881   0.098  -5.524
  126    HE2  HIS  15           2HE      HIS  15   3.249  -2.017  -5.516
  127    H    LYS  16           H        LYS  16   4.320  -3.397   1.489
  128    HA   LYS  16           HA       LYS  16   3.425  -1.841   3.673
  129    HB2  LYS  16           2HB      LYS  16   4.600  -3.549   5.057
  130    HB3  LYS  16           1HB      LYS  16   3.496  -4.232   3.872
  131    HG2  LYS  16           2HG      LYS  16   5.493  -4.582   2.378
  132    HG3  LYS  16           1HG      LYS  16   6.499  -4.149   3.761
  133    HD2  LYS  16           2HD      LYS  16   4.490  -6.401   3.707
  134    HD3  LYS  16           1HD      LYS  16   6.233  -6.589   3.504
  135    HE2  LYS  16           2HE      LYS  16   6.604  -5.697   5.738
  136    HE3  LYS  16           1HE      LYS  16   4.872  -5.440   5.939
  137    HZ1  LYS  16           3HZ      LYS  16   4.528  -7.818   5.770
  138    HZ2  LYS  16           1HZ      LYS  16   5.615  -7.474   7.020
  139    HZ3  LYS  16           2HZ      LYS  16   6.184  -8.075   5.545
  140    H    LYS  17           H        LYS  17   6.353  -1.853   1.896
  141    HA   LYS  17           HA       LYS  17   7.979  -0.738   3.979
  142    HB2  LYS  17           2HB      LYS  17   8.767  -2.054   1.914
  143    HB3  LYS  17           1HB      LYS  17   8.562  -0.551   1.038
  144    HG2  LYS  17           2HG      LYS  17  10.888  -0.962   1.796
  145    HG3  LYS  17           1HG      LYS  17  10.198   0.552   2.379
  146    HD2  LYS  17           2HD      LYS  17   9.537  -1.283   4.346
  147    HD3  LYS  17           1HD      LYS  17  11.171  -1.746   3.868
  148    HE2  LYS  17           2HE      LYS  17  11.518  -0.184   5.563
  149    HE3  LYS  17           1HE      LYS  17  11.723   0.757   4.086
  150    HZ1  LYS  17           3HZ      LYS  17   9.329   0.692   5.843
  151    HZ2  LYS  17           1HZ      LYS  17   9.368   1.467   4.337
  152    HZ3  LYS  17           2HZ      LYS  17  10.374   1.995   5.591
  153    H    PHE  18           H        PHE  18   6.218   0.431   1.218
  154    HA   PHE  18           HA       PHE  18   7.018   3.154   1.485
  155    HB2  PHE  18           2HB      PHE  18   4.603   2.000   0.068
  156    HB3  PHE  18           1HB      PHE  18   5.255   3.620  -0.153
  157    HD1  PHE  18           2HD      PHE  18   7.587   3.852  -1.107
  158    HD2  PHE  18           1HD      PHE  18   5.404   0.200  -1.178
  159    HE1  PHE  18           2HE      PHE  18   9.050   3.018  -2.901
  160    HE2  PHE  18           1HE      PHE  18   6.863  -0.642  -2.972
  161    HZ   PHE  18           HZ       PHE  18   8.688   0.768  -3.835
  162    H    CYS  19           H        CYS  19   4.083   1.354   2.340
  163    HA   CYS  19           HA       CYS  19   3.058   3.688   3.759
  164    HB2  CYS  19           2HB      CYS  19   1.664   1.028   3.579
  165    HB3  CYS  19           1HB      CYS  19   0.966   2.625   3.803
  166    HN1  NH2  20           1H       CYS  19   5.111   3.205   5.131
  167    HN2  NH2  20           2H       CYS  19   4.823   2.282   6.564
  Start of MODEL    6
    1    H1   PHE   1           1HT      PHE   1   3.410   9.193  -6.704
    2    H2   PHE   1           2HT      PHE   1   1.951   9.470  -5.892
    3    H3   PHE   1           3HT      PHE   1   1.943   8.725  -7.408
    4    HA   PHE   1           HA       PHE   1   3.040   6.800  -6.549
    5    HB2  PHE   1           2HB      PHE   1   4.347   8.084  -4.821
    6    HB3  PHE   1           1HB      PHE   1   2.880   8.171  -3.851
    7    HD1  PHE   1           1HD      PHE   1   5.292   5.803  -5.371
    8    HD2  PHE   1           2HD      PHE   1   2.283   6.418  -2.425
    9    HE1  PHE   1           1HE      PHE   1   5.838   3.627  -4.363
   10    HE2  PHE   1           2HE      PHE   1   2.825   4.243  -1.412
   11    HZ   PHE   1           HZ       PHE   1   4.605   2.845  -2.380
   12    H    ASN   2           H        ASN   2   1.785   5.071  -5.738
   13    HA   ASN   2           HA       ASN   2  -1.040   5.742  -5.471
   14    HB2  ASN   2           2HB      ASN   2  -1.222   3.139  -5.591
   15    HB3  ASN   2           1HB      ASN   2  -0.852   4.050  -7.049
   16   HD21  ASN   2          1HD2      ASN   2   0.001   2.093  -7.893
   17   HD22  ASN   2          2HD2      ASN   2   1.591   1.573  -7.465
   18    H    TRP   3           H        TRP   3  -0.314   6.636  -3.287
   19    HA   TRP   3           HA       TRP   3   0.359   4.946  -1.150
   20    HB2  TRP   3           2HB      TRP   3  -0.587   6.813   0.282
   21    HB3  TRP   3           1HB      TRP   3   0.666   7.291  -0.857
   22    HD1  TRP   3           HD       TRP   3  -0.044   8.891  -2.867
   23    HE1  TRP   3           1HE      TRP   3  -2.116  10.365  -3.262
   24    HE3  TRP   3           3HE      TRP   3  -3.135   6.926   0.702
   25    HZ2  TRP   3           2HZ      TRP   3  -4.712  10.658  -2.202
   26    HZ3  TRP   3           3HZ      TRP   3  -5.396   7.862   0.947
   27    HH2  TRP   3           HH       TRP   3  -6.167   9.691  -0.475
   28    H    ARG   4           H        ARG   4  -2.570   5.427  -2.812
   29    HA   ARG   4           HA       ARG   4  -4.455   4.765  -0.861
   30    HB2  ARG   4           2HB      ARG   4  -4.383   4.764  -3.823
   31    HB3  ARG   4           1HB      ARG   4  -5.654   3.829  -3.055
   32    HG2  ARG   4           2HG      ARG   4  -6.447   5.802  -1.895
   33    HG3  ARG   4           1HG      ARG   4  -5.113   6.750  -2.557
   34    HD2  ARG   4           2HD      ARG   4  -5.967   6.333  -4.824
   35    HD3  ARG   4           1HD      ARG   4  -7.315   5.426  -4.139
   36    HE   ARG   4           HE       ARG   4  -7.849   7.620  -2.963
   37   HH11  ARG   4          1HH1      ARG   4  -6.318   7.436  -6.103
   38   HH12  ARG   4          2HH1      ARG   4  -6.929   8.963  -6.641
   39   HH21  ARG   4          1HH2      ARG   4  -8.674   9.638  -3.665
   40   HH22  ARG   4          2HH2      ARG   4  -8.279  10.220  -5.248
   41    H    CYS   5           H        CYS   5  -2.226   2.876  -2.573
   42    HA   CYS   5           HA       CYS   5  -3.374   0.333  -2.446
   43    HB2  CYS   5           2HB      CYS   5  -0.607   1.401  -2.583
   44    HB3  CYS   5           1HB      CYS   5  -0.796  -0.282  -2.105
   45    H    CYS   6           H        CYS   6  -1.761   2.275  -0.029
   46    HA   CYS   6           HA       CYS   6  -1.430   0.126   1.844
   47    HB2  CYS   6           2HB      CYS   6  -1.366   3.106   2.360
   48    HB3  CYS   6           1HB      CYS   6  -0.707   1.842   3.393
   49    H    LEU   7           H        LEU   7  -4.109   1.786   0.802
   50    HA   LEU   7           HA       LEU   7  -5.531   1.514   3.339
   51    HB2  LEU   7           2HB      LEU   7  -6.511   2.618   0.702
   52    HB3  LEU   7           1HB      LEU   7  -7.366   2.688   2.231
   53    HG   LEU   7           HG       LEU   7  -4.741   4.073   1.671
   54   HD11  LEU   7          1HD1      LEU   7  -7.539   5.189   1.783
   55   HD12  LEU   7          2HD1      LEU   7  -6.545   5.023   0.336
   56   HD13  LEU   7          3HD1      LEU   7  -6.055   6.130   1.620
   57   HD21  LEU   7          3HD2      LEU   7  -6.650   4.267   4.000
   58   HD22  LEU   7          1HD2      LEU   7  -5.210   5.256   3.764
   59   HD23  LEU   7          2HD2      LEU   7  -5.053   3.519   4.022
   60    H    ILE   8           H        ILE   8  -4.784  -0.182   0.622
   61    HA   ILE   8           HA       ILE   8  -7.142  -1.944   0.828
   62    HB   ILE   8           HB       ILE   8  -5.229  -1.725  -1.512
   63   HG12  ILE   8          2HG1      ILE   8  -8.051  -0.642  -1.374
   64   HG13  ILE   8          1HG1      ILE   8  -6.626   0.351  -1.081
   65   HG21  ILE   8          1HG2      ILE   8  -6.328  -3.887  -1.324
   66   HG22  ILE   8          2HG2      ILE   8  -6.956  -2.997  -2.710
   67   HG23  ILE   8          3HG2      ILE   8  -7.903  -3.099  -1.226
   68   HD11  ILE   8          3HD1      ILE   8  -5.837  -0.114  -3.340
   69   HD12  ILE   8          1HD1      ILE   8  -7.443   0.614  -3.352
   70   HD13  ILE   8          2HD1      ILE   8  -7.257  -1.118  -3.631
   71    HA   PRO   9           HA       PRO   9  -4.224  -4.542   3.103
   72    HB2  PRO   9           2HB      PRO   9  -6.338  -6.469   2.218
   73    HB3  PRO   9           1HB      PRO   9  -5.549  -6.311   3.793
   74    HG2  PRO   9           2HG      PRO   9  -7.986  -5.324   3.405
   75    HG3  PRO   9           1HG      PRO   9  -6.795  -4.440   4.376
   76    HD2  PRO   9           2HD      PRO   9  -7.794  -3.880   1.636
   77    HD3  PRO   9           1HD      PRO   9  -7.201  -2.757   2.876
   78    H    ALA  10           H        ALA  10  -5.565  -5.440  -0.058
   79    HA   ALA  10           HA       ALA  10  -3.701  -7.504  -0.592
   80    HB1  ALA  10           1HB      ALA  10  -5.859  -7.334  -1.735
   81    HB2  ALA  10           2HB      ALA  10  -4.519  -7.407  -2.878
   82    HB3  ALA  10           3HB      ALA  10  -5.311  -5.867  -2.546
   83    H    CYS  11           H        CYS  11  -3.734  -4.040  -1.378
   84    HA   CYS  11           HA       CYS  11  -1.206  -4.322  -2.806
   85    HB2  CYS  11           2HB      CYS  11  -3.263  -2.758  -3.412
   86    HB3  CYS  11           1HB      CYS  11  -2.459  -1.653  -2.305
   87    H    ARG  12           H        ARG  12  -2.439  -3.359   0.260
   88    HA   ARG  12           HA       ARG  12  -0.312  -1.757   1.185
   89    HB2  ARG  12           2HB      ARG  12  -2.497  -1.901   2.301
   90    HB3  ARG  12           1HB      ARG  12  -2.174  -3.561   2.738
   91    HG2  ARG  12           2HG      ARG  12  -0.138  -2.675   3.983
   92    HG3  ARG  12           1HG      ARG  12  -0.861  -1.078   3.779
   93    HD2  ARG  12           2HD      ARG  12  -2.425  -3.353   4.951
   94    HD3  ARG  12           1HD      ARG  12  -1.341  -2.385   5.948
   95    HE   ARG  12           HE       ARG  12  -3.026  -0.659   4.511
   96   HH11  ARG  12          1HH1      ARG  12  -3.211  -3.006   7.110
   97   HH12  ARG  12          2HH1      ARG  12  -4.552  -2.233   7.884
   98   HH21  ARG  12          1HH2      ARG  12  -4.786   0.360   5.521
   99   HH22  ARG  12          2HH2      ARG  12  -5.457  -0.309   6.973
  100    H    ARG  13           H        ARG  13  -0.843  -5.184   1.033
  101    HA   ARG  13           HA       ARG  13   1.233  -6.058   2.700
  102    HB2  ARG  13           2HB      ARG  13  -0.618  -7.480   1.798
  103    HB3  ARG  13           1HB      ARG  13   0.183  -7.454   0.233
  104    HG2  ARG  13           2HG      ARG  13   0.707  -9.510   1.333
  105    HG3  ARG  13           1HG      ARG  13   2.163  -8.513   1.285
  106    HD2  ARG  13           2HD      ARG  13   1.627  -7.766   3.611
  107    HD3  ARG  13           1HD      ARG  13   0.323  -8.951   3.631
  108    HE   ARG  13           HE       ARG  13   3.125  -9.746   3.198
  109   HH11  ARG  13          1HH1      ARG  13   0.090 -10.046   4.901
  110   HH12  ARG  13          2HH1      ARG  13   0.588 -11.422   5.827
  111   HH21  ARG  13          1HH2      ARG  13   3.801 -11.568   4.414
  112   HH22  ARG  13          2HH2      ARG  13   2.710 -12.292   5.549
  113    H    ASN  14           H        ASN  14   1.224  -4.997  -0.626
  114    HA   ASN  14           HA       ASN  14   3.988  -5.801  -1.042
  115    HB2  ASN  14           2HB      ASN  14   2.569  -6.102  -2.939
  116    HB3  ASN  14           1HB      ASN  14   1.922  -4.472  -2.802
  117   HD21  ASN  14          1HD2      ASN  14   4.661  -6.396  -3.771
  118   HD22  ASN  14          2HD2      ASN  14   5.433  -5.175  -4.717
  119    H    HIS  15           H        HIS  15   2.146  -2.986  -0.214
  120    HA   HIS  15           HA       HIS  15   4.526  -1.288  -0.547
  121    HB2  HIS  15           2HB      HIS  15   1.602  -0.578  -0.259
  122    HB3  HIS  15           1HB      HIS  15   2.895   0.616  -0.217
  123    HD1  HIS  15           1HD      HIS  15   3.673   1.498  -2.424
  124    HD2  HIS  15           2HD      HIS  15   1.436  -1.980  -2.813
  125    HE1  HIS  15           1HE      HIS  15   3.355   1.174  -4.896
  126    HE2  HIS  15           2HE      HIS  15   2.126  -1.014  -5.105
  127    H    LYS  16           H        LYS  16   4.038  -3.227   1.593
  128    HA   LYS  16           HA       LYS  16   3.372  -1.843   3.982
  129    HB2  LYS  16           2HB      LYS  16   3.219  -4.315   3.677
  130    HB3  LYS  16           1HB      LYS  16   4.975  -4.389   3.675
  131    HG2  LYS  16           2HG      LYS  16   4.091  -5.002   5.844
  132    HG3  LYS  16           1HG      LYS  16   5.014  -3.503   5.953
  133    HD2  LYS  16           2HD      LYS  16   2.576  -2.484   5.504
  134    HD3  LYS  16           1HD      LYS  16   2.116  -3.984   6.311
  135    HE2  LYS  16           2HE      LYS  16   2.338  -2.272   7.973
  136    HE3  LYS  16           1HE      LYS  16   3.680  -3.400   8.155
  137    HZ1  LYS  16           3HZ      LYS  16   3.737  -0.680   6.973
  138    HZ2  LYS  16           1HZ      LYS  16   4.999  -1.790   6.759
  139    HZ3  LYS  16           2HZ      LYS  16   4.596  -1.257   8.314
  140    H    LYS  17           H        LYS  17   6.229  -2.076   2.094
  141    HA   LYS  17           HA       LYS  17   8.072  -1.442   4.183
  142    HB2  LYS  17           2HB      LYS  17   8.674  -2.578   2.018
  143    HB3  LYS  17           1HB      LYS  17   8.448  -1.036   1.219
  144    HG2  LYS  17           2HG      LYS  17  10.826  -1.646   1.793
  145    HG3  LYS  17           1HG      LYS  17  10.275  -0.060   2.334
  146    HD2  LYS  17           2HD      LYS  17   9.641  -1.522   4.497
  147    HD3  LYS  17           1HD      LYS  17  11.013  -2.457   3.902
  148    HE2  LYS  17           2HE      LYS  17  11.731  -0.770   5.512
  149    HE3  LYS  17           1HE      LYS  17  12.398  -0.445   3.913
  150    HZ1  LYS  17           3HZ      LYS  17  11.013   1.363   3.612
  151    HZ2  LYS  17           1HZ      LYS  17  11.385   1.482   5.258
  152    HZ3  LYS  17           2HZ      LYS  17   9.887   0.855   4.769
  153    H    PHE  18           H        PHE  18   6.557   0.344   1.582
  154    HA   PHE  18           HA       PHE  18   7.685   2.856   2.233
  155    HB2  PHE  18           2HB      PHE  18   6.596   2.188   0.034
  156    HB3  PHE  18           1HB      PHE  18   5.046   2.415   0.831
  157    HD1  PHE  18           1HD      PHE  18   8.025   4.079  -0.482
  158    HD2  PHE  18           2HD      PHE  18   4.238   4.621   1.383
  159    HE1  PHE  18           1HE      PHE  18   8.103   6.477  -1.025
  160    HE2  PHE  18           2HE      PHE  18   4.310   7.020   0.844
  161    HZ   PHE  18           HZ       PHE  18   6.246   7.951  -0.363
  162    H    CYS  19           H        CYS  19   4.511   1.418   2.914
  163    HA   CYS  19           HA       CYS  19   3.907   3.626   4.722
  164    HB2  CYS  19           2HB      CYS  19   2.206   1.327   3.738
  165    HB3  CYS  19           1HB      CYS  19   1.656   2.531   4.897
  166    HN1  NH2  20           1H       CYS  19   5.388   3.185   6.343
  167    HN2  NH2  20           2H       CYS  19   5.180   1.877   7.452
  Start of MODEL    7
    1    H1   PHE   1           1HT      PHE   1   4.582   7.426  -6.603
    2    H2   PHE   1           2HT      PHE   1   3.410   8.348  -5.805
    3    H3   PHE   1           3HT      PHE   1   3.017   7.543  -7.238
    4    HA   PHE   1           HA       PHE   1   3.355   5.413  -6.172
    5    HB2  PHE   1           2HB      PHE   1   5.017   6.108  -4.517
    6    HB3  PHE   1           1HB      PHE   1   3.830   7.132  -3.719
    7    HD1  PHE   1           1HD      PHE   1   4.375   3.571  -4.683
    8    HD2  PHE   1           2HD      PHE   1   2.708   6.311  -1.887
    9    HE1  PHE   1           1HE      PHE   1   3.744   1.694  -3.224
   10    HE2  PHE   1           2HE      PHE   1   2.072   4.440  -0.423
   11    HZ   PHE   1           HZ       PHE   1   2.590   2.128  -1.092
   12    H    ASN   2           H        ASN   2   1.486   4.385  -5.462
   13    HA   ASN   2           HA       ASN   2  -0.849   6.120  -5.257
   14    HB2  ASN   2           2HB      ASN   2  -0.881   4.198  -6.838
   15    HB3  ASN   2           1HB      ASN   2  -0.710   3.101  -5.471
   16   HD21  ASN   2          1HD2      ASN   2  -2.648   2.073  -5.822
   17   HD22  ASN   2          2HD2      ASN   2  -4.177   2.832  -5.560
   18    H    TRP   3           H        TRP   3  -0.742   6.908  -3.183
   19    HA   TRP   3           HA       TRP   3  -0.158   5.440  -0.878
   20    HB2  TRP   3           2HB      TRP   3  -1.406   7.318   0.307
   21    HB3  TRP   3           1HB      TRP   3  -0.050   7.793  -0.707
   22    HD1  TRP   3           HD       TRP   3  -0.583   9.217  -2.889
   23    HE1  TRP   3           1HE      TRP   3  -2.663  10.537  -3.634
   24    HE3  TRP   3           3HE      TRP   3  -3.994   7.286   0.398
   25    HZ2  TRP   3           2HZ      TRP   3  -5.387  10.733  -2.923
   26    HZ3  TRP   3           3HZ      TRP   3  -6.312   8.098   0.302
   27    HH2  TRP   3           HH       TRP   3  -6.993   9.788  -1.325
   28    H    ARG   4           H        ARG   4  -2.983   5.515  -2.791
   29    HA   ARG   4           HA       ARG   4  -4.919   4.823  -0.885
   30    HB2  ARG   4           2HB      ARG   4  -4.691   4.634  -3.833
   31    HB3  ARG   4           1HB      ARG   4  -5.917   3.643  -3.059
   32    HG2  ARG   4           2HG      ARG   4  -7.072   5.511  -2.244
   33    HG3  ARG   4           1HG      ARG   4  -5.700   6.585  -2.520
   34    HD2  ARG   4           2HD      ARG   4  -7.390   5.252  -4.630
   35    HD3  ARG   4           1HD      ARG   4  -7.417   6.960  -4.193
   36    HE   ARG   4           HE       ARG   4  -4.920   5.774  -5.188
   37   HH11  ARG   4          1HH1      ARG   4  -7.613   7.958  -5.645
   38   HH12  ARG   4          2HH1      ARG   4  -6.884   8.786  -6.979
   39   HH21  ARG   4          1HH2      ARG   4  -3.952   6.849  -6.943
   40   HH22  ARG   4          2HH2      ARG   4  -4.789   8.150  -7.726
   41    H    CYS   5           H        CYS   5  -2.460   3.047  -2.403
   42    HA   CYS   5           HA       CYS   5  -3.414   0.420  -2.116
   43    HB2  CYS   5           2HB      CYS   5  -0.689   1.650  -2.269
   44    HB3  CYS   5           1HB      CYS   5  -0.856  -0.065  -1.908
   45    H    CYS   6           H        CYS   6  -2.016   2.677   0.134
   46    HA   CYS   6           HA       CYS   6  -1.376   0.755   2.149
   47    HB2  CYS   6           2HB      CYS   6  -1.929   3.673   2.660
   48    HB3  CYS   6           1HB      CYS   6  -0.846   2.589   3.534
   49    H    LEU   7           H        LEU   7  -4.281   2.120   1.067
   50    HA   LEU   7           HA       LEU   7  -5.677   1.581   3.580
   51    HB2  LEU   7           2HB      LEU   7  -6.785   2.699   1.004
   52    HB3  LEU   7           1HB      LEU   7  -7.593   2.661   2.558
   53    HG   LEU   7           HG       LEU   7  -5.099   4.260   1.988
   54   HD11  LEU   7          1HD1      LEU   7  -6.567   6.209   1.961
   55   HD12  LEU   7          2HD1      LEU   7  -7.974   5.155   2.117
   56   HD13  LEU   7          3HD1      LEU   7  -6.973   5.082   0.666
   57   HD21  LEU   7          3HD2      LEU   7  -5.589   5.353   4.095
   58   HD22  LEU   7          1HD2      LEU   7  -5.419   3.615   4.340
   59   HD23  LEU   7          2HD2      LEU   7  -7.022   4.347   4.308
   60    H    ILE   8           H        ILE   8  -4.685  -0.015   0.919
   61    HA   ILE   8           HA       ILE   8  -6.950  -1.901   0.982
   62    HB   ILE   8           HB       ILE   8  -5.121  -1.404  -1.373
   63   HG12  ILE   8          2HG1      ILE   8  -8.015  -0.579  -1.087
   64   HG13  ILE   8          1HG1      ILE   8  -6.665   0.515  -0.816
   65   HG21  ILE   8          1HG2      ILE   8  -6.746  -2.766  -2.605
   66   HG22  ILE   8          2HG2      ILE   8  -7.650  -3.026  -1.112
   67   HG23  ILE   8          3HG2      ILE   8  -6.014  -3.664  -1.275
   68   HD11  ILE   8          3HD1      ILE   8  -7.621   0.792  -3.036
   69   HD12  ILE   8          1HD1      ILE   8  -7.282  -0.901  -3.396
   70   HD13  ILE   8          2HD1      ILE   8  -5.952   0.225  -3.123
   71    HA   PRO   9           HA       PRO   9  -3.753  -4.382   3.011
   72    HB2  PRO   9           2HB      PRO   9  -5.889  -6.375   2.380
   73    HB3  PRO   9           1HB      PRO   9  -4.979  -6.137   3.877
   74    HG2  PRO   9           2HG      PRO   9  -7.480  -5.256   3.654
   75    HG3  PRO   9           1HG      PRO   9  -6.253  -4.312   4.520
   76    HD2  PRO   9           2HD      PRO   9  -7.466  -3.845   1.847
   77    HD3  PRO   9           1HD      PRO   9  -6.844  -2.676   3.029
   78    H    ALA  10           H        ALA  10  -5.421  -5.261   0.011
   79    HA   ALA  10           HA       ALA  10  -3.678  -7.350  -0.741
   80    HB1  ALA  10           1HB      ALA  10  -4.695  -7.182  -2.935
   81    HB2  ALA  10           2HB      ALA  10  -5.394  -5.619  -2.510
   82    HB3  ALA  10           3HB      ALA  10  -5.922  -7.079  -1.674
   83    H    CYS  11           H        CYS  11  -3.604  -3.865  -1.373
   84    HA   CYS  11           HA       CYS  11  -1.284  -4.187  -3.114
   85    HB2  CYS  11           2HB      CYS  11  -3.221  -2.504  -3.498
   86    HB3  CYS  11           1HB      CYS  11  -2.433  -1.541  -2.254
   87    H    ARG  12           H        ARG  12  -2.134  -2.999   0.069
   88    HA   ARG  12           HA       ARG  12   0.345  -1.791   0.698
   89    HB2  ARG  12           2HB      ARG  12  -1.901  -1.540   1.883
   90    HB3  ARG  12           1HB      ARG  12  -1.524  -3.047   2.693
   91    HG2  ARG  12           2HG      ARG  12   0.572  -2.001   3.532
   92    HG3  ARG  12           1HG      ARG  12   0.014  -0.469   2.852
   93    HD2  ARG  12           2HD      ARG  12  -1.998  -0.596   4.246
   94    HD3  ARG  12           1HD      ARG  12  -1.423  -2.116   4.930
   95    HE   ARG  12           HE       ARG  12   0.606  -0.546   5.547
   96   HH11  ARG  12          1HH1      ARG  12  -2.817   0.166   5.704
   97   HH12  ARG  12          2HH1      ARG  12  -2.673   1.201   7.087
   98   HH21  ARG  12          1HH2      ARG  12   0.819   0.843   7.341
   99   HH22  ARG  12          2HH2      ARG  12  -0.590   1.593   8.021
  100    H    ARG  13           H        ARG  13  -0.795  -5.052   0.755
  101    HA   ARG  13           HA       ARG  13   0.958  -6.285   2.502
  102    HB2  ARG  13           2HB      ARG  13  -0.904  -7.447   1.414
  103    HB3  ARG  13           1HB      ARG  13  -0.083  -7.336  -0.135
  104    HG2  ARG  13           2HG      ARG  13   1.716  -8.760   0.718
  105    HG3  ARG  13           1HG      ARG  13   0.878  -8.879   2.267
  106    HD2  ARG  13           2HD      ARG  13   0.507 -10.838   0.797
  107    HD3  ARG  13           1HD      ARG  13  -0.982 -10.003   1.234
  108    HE   ARG  13           HE       ARG  13  -0.579  -8.864  -1.071
  109   HH11  ARG  13          1HH1      ARG  13   0.030 -12.212  -0.259
  110   HH12  ARG  13          2HH1      ARG  13  -0.261 -12.794  -1.864
  111   HH21  ARG  13          1HH2      ARG  13  -0.979  -9.619  -3.194
  112   HH22  ARG  13          2HH2      ARG  13  -0.837 -11.310  -3.544
  113    H    ASN  14           H        ASN  14   1.477  -5.342  -0.864
  114    HA   ASN  14           HA       ASN  14   4.272  -6.235  -0.679
  115    HB2  ASN  14           2HB      ASN  14   2.755  -6.976  -2.604
  116    HB3  ASN  14           1HB      ASN  14   2.852  -5.317  -3.182
  117   HD21  ASN  14          1HD2      ASN  14   3.848  -6.047  -5.085
  118   HD22  ASN  14          2HD2      ASN  14   5.509  -6.520  -5.111
  119    H    HIS  15           H        HIS  15   2.764  -3.653   0.233
  120    HA   HIS  15           HA       HIS  15   4.865  -1.816  -0.702
  121    HB2  HIS  15           2HB      HIS  15   1.903  -1.243  -0.519
  122    HB3  HIS  15           1HB      HIS  15   3.117   0.026  -0.608
  123    HD1  HIS  15           1HD      HIS  15   4.528  -2.297  -2.785
  124    HD2  HIS  15           2HD      HIS  15   1.132   0.091  -3.028
  125    HE1  HIS  15           1HE      HIS  15   4.013  -2.094  -5.239
  126    HE2  HIS  15           2HE      HIS  15   1.839  -0.826  -5.336
  127    H    LYS  16           H        LYS  16   4.386  -3.463   1.694
  128    HA   LYS  16           HA       LYS  16   3.538  -1.908   3.874
  129    HB2  LYS  16           2HB      LYS  16   3.847  -4.420   3.776
  130    HB3  LYS  16           1HB      LYS  16   5.570  -4.136   3.975
  131    HG2  LYS  16           2HG      LYS  16   5.082  -2.983   6.118
  132    HG3  LYS  16           1HG      LYS  16   3.385  -3.429   5.922
  133    HD2  LYS  16           2HD      LYS  16   5.705  -5.353   6.098
  134    HD3  LYS  16           1HD      LYS  16   4.572  -4.987   7.399
  135    HE2  LYS  16           2HE      LYS  16   2.742  -5.912   6.137
  136    HE3  LYS  16           1HE      LYS  16   3.777  -6.134   4.727
  137    HZ1  LYS  16           3HZ      LYS  16   4.086  -7.523   7.334
  138    HZ2  LYS  16           1HZ      LYS  16   5.080  -7.734   5.983
  139    HZ3  LYS  16           2HZ      LYS  16   3.458  -8.205   5.920
  140    H    LYS  17           H        LYS  17   6.549  -2.024   2.165
  141    HA   LYS  17           HA       LYS  17   8.147  -0.875   4.212
  142    HB2  LYS  17           2HB      LYS  17   8.674  -2.060   1.815
  143    HB3  LYS  17           1HB      LYS  17   8.970  -0.372   1.438
  144    HG2  LYS  17           2HG      LYS  17  10.248  -0.741   3.864
  145    HG3  LYS  17           1HG      LYS  17  10.576  -2.227   2.973
  146    HD2  LYS  17           2HD      LYS  17  12.324  -0.607   2.535
  147    HD3  LYS  17           1HD      LYS  17  11.378  -0.874   1.072
  148    HE2  LYS  17           2HE      LYS  17  11.905   1.510   1.446
  149    HE3  LYS  17           1HE      LYS  17  10.172   1.191   1.418
  150    HZ1  LYS  17           3HZ      LYS  17  11.240   2.674   3.269
  151    HZ2  LYS  17           1HZ      LYS  17  11.545   1.183   4.007
  152    HZ3  LYS  17           2HZ      LYS  17   9.955   1.634   3.631
  153    H    PHE  18           H        PHE  18   6.015   0.372   1.846
  154    HA   PHE  18           HA       PHE  18   7.012   3.091   2.165
  155    HB2  PHE  18           2HB      PHE  18   4.737   1.990   0.497
  156    HB3  PHE  18           1HB      PHE  18   5.251   3.674   0.509
  157    HD1  PHE  18           2HD      PHE  18   7.559   4.239  -0.297
  158    HD2  PHE  18           1HD      PHE  18   5.817   0.394  -0.843
  159    HE1  PHE  18           2HE      PHE  18   9.194   3.755  -2.071
  160    HE2  PHE  18           1HE      PHE  18   7.449  -0.097  -2.618
  161    HZ   PHE  18           HZ       PHE  18   9.138   1.586  -3.236
  162    H    CYS  19           H        CYS  19   4.098   1.194   2.772
  163    HA   CYS  19           HA       CYS  19   2.939   3.423   4.263
  164    HB2  CYS  19           2HB      CYS  19   1.559   0.790   3.887
  165    HB3  CYS  19           1HB      CYS  19   0.870   2.399   4.043
  166    HN1  NH2  20           1H       CYS  19   4.925   2.864   5.703
  167    HN2  NH2  20           2H       CYS  19   4.569   1.855   7.060
  Start of MODEL    8
    1    H1   PHE   1           1HT      PHE   1   3.107   7.535  -7.193
    2    H2   PHE   1           2HT      PHE   1   4.620   7.447  -6.442
    3    H3   PHE   1           3HT      PHE   1   3.374   8.345  -5.734
    4    HA   PHE   1           HA       PHE   1   3.297   5.420  -6.151
    5    HB2  PHE   1           2HB      PHE   1   5.002   5.951  -4.501
    6    HB3  PHE   1           1HB      PHE   1   3.911   7.053  -3.672
    7    HD1  PHE   1           1HD      PHE   1   4.296   3.474  -4.610
    8    HD2  PHE   1           2HD      PHE   1   2.633   6.297  -1.894
    9    HE1  PHE   1           1HE      PHE   1   3.545   1.633  -3.161
   10    HE2  PHE   1           2HE      PHE   1   1.879   4.462  -0.441
   11    HZ   PHE   1           HZ       PHE   1   2.335   2.126  -1.073
   12    H    ASN   2           H        ASN   2   1.408   4.442  -5.428
   13    HA   ASN   2           HA       ASN   2  -0.866   6.241  -5.160
   14    HB2  ASN   2           2HB      ASN   2  -1.044   4.396  -6.770
   15    HB3  ASN   2           1HB      ASN   2  -0.751   3.232  -5.481
   16   HD21  ASN   2          1HD2      ASN   2  -2.715   2.205  -5.868
   17   HD22  ASN   2          2HD2      ASN   2  -4.223   2.911  -5.411
   18    H    TRP   3           H        TRP   3  -0.902   6.989  -3.101
   19    HA   TRP   3           HA       TRP   3  -0.236   5.536  -0.800
   20    HB2  TRP   3           2HB      TRP   3  -1.435   7.339   0.436
   21    HB3  TRP   3           1HB      TRP   3  -0.278   7.947  -0.742
   22    HD1  TRP   3           HD       TRP   3  -1.303   9.105  -2.972
   23    HE1  TRP   3           1HE      TRP   3  -3.570  10.247  -3.386
   24    HE3  TRP   3           3HE      TRP   3  -3.880   7.279   1.051
   25    HZ2  TRP   3           2HZ      TRP   3  -6.113  10.364  -2.167
   26    HZ3  TRP   3           3HZ      TRP   3  -6.225   7.959   1.354
   27    HH2  TRP   3           HH       TRP   3  -7.317   9.470  -0.222
   28    H    ARG   4           H        ARG   4  -3.086   5.564  -2.702
   29    HA   ARG   4           HA       ARG   4  -4.959   4.726  -0.788
   30    HB2  ARG   4           2HB      ARG   4  -4.797   4.694  -3.745
   31    HB3  ARG   4           1HB      ARG   4  -5.957   3.607  -3.000
   32    HG2  ARG   4           2HG      ARG   4  -5.837   6.566  -2.463
   33    HG3  ARG   4           1HG      ARG   4  -6.884   5.819  -3.672
   34    HD2  ARG   4           2HD      ARG   4  -7.977   4.509  -1.932
   35    HD3  ARG   4           1HD      ARG   4  -6.911   5.210  -0.717
   36    HE   ARG   4           HE       ARG   4  -8.082   7.375  -1.847
   37   HH11  ARG   4          1HH1      ARG   4  -9.334   4.427  -0.444
   38   HH12  ARG   4          2HH1      ARG   4 -10.804   5.155   0.110
   39   HH21  ARG   4          1HH2      ARG   4 -10.025   8.354  -1.115
   40   HH22  ARG   4          2HH2      ARG   4 -11.198   7.398  -0.274
   41    H    CYS   5           H        CYS   5  -2.456   3.103  -2.394
   42    HA   CYS   5           HA       CYS   5  -3.317   0.442  -2.231
   43    HB2  CYS   5           2HB      CYS   5  -0.664   1.793  -2.354
   44    HB3  CYS   5           1HB      CYS   5  -0.705   0.087  -1.920
   45    H    CYS   6           H        CYS   6  -1.970   2.625   0.138
   46    HA   CYS   6           HA       CYS   6  -1.371   0.597   2.074
   47    HB2  CYS   6           2HB      CYS   6  -1.865   3.489   2.744
   48    HB3  CYS   6           1HB      CYS   6  -0.767   2.345   3.514
   49    H    LEU   7           H        LEU   7  -4.236   1.988   1.001
   50    HA   LEU   7           HA       LEU   7  -5.644   1.403   3.497
   51    HB2  LEU   7           2HB      LEU   7  -6.640   2.701   0.956
   52    HB3  LEU   7           1HB      LEU   7  -7.586   2.479   2.416
   53    HG   LEU   7           HG       LEU   7  -5.123   4.210   2.171
   54   HD11  LEU   7          1HD1      LEU   7  -6.680   6.072   2.438
   55   HD12  LEU   7          2HD1      LEU   7  -8.036   4.943   2.424
   56   HD13  LEU   7          3HD1      LEU   7  -7.035   5.137   0.985
   57   HD21  LEU   7          3HD2      LEU   7  -5.353   3.250   4.401
   58   HD22  LEU   7          1HD2      LEU   7  -7.024   3.806   4.479
   59   HD23  LEU   7          2HD2      LEU   7  -5.706   4.978   4.420
   60    H    ILE   8           H        ILE   8  -4.727  -0.046   0.698
   61    HA   ILE   8           HA       ILE   8  -7.003  -1.925   0.700
   62    HB   ILE   8           HB       ILE   8  -5.004  -1.438  -1.523
   63   HG12  ILE   8          2HG1      ILE   8  -7.923  -0.651  -1.453
   64   HG13  ILE   8          1HG1      ILE   8  -6.613   0.459  -1.069
   65   HG21  ILE   8          1HG2      ILE   8  -5.872  -3.708  -1.506
   66   HG22  ILE   8          2HG2      ILE   8  -6.527  -2.809  -2.875
   67   HG23  ILE   8          3HG2      ILE   8  -7.525  -3.095  -1.449
   68   HD11  ILE   8          3HD1      ILE   8  -7.382   0.750  -3.353
   69   HD12  ILE   8          1HD1      ILE   8  -7.021  -0.941  -3.701
   70   HD13  ILE   8          2HD1      ILE   8  -5.714   0.178  -3.317
   71    HA   PRO   9           HA       PRO   9  -4.084  -4.517   2.964
   72    HB2  PRO   9           2HB      PRO   9  -6.128  -6.470   1.988
   73    HB3  PRO   9           1HB      PRO   9  -5.394  -6.316   3.589
   74    HG2  PRO   9           2HG      PRO   9  -7.844  -5.395   3.144
   75    HG3  PRO   9           1HG      PRO   9  -6.709  -4.490   4.163
   76    HD2  PRO   9           2HD      PRO   9  -7.626  -3.932   1.389
   77    HD3  PRO   9           1HD      PRO   9  -7.143  -2.803   2.669
   78    H    ALA  10           H        ALA  10  -5.363  -5.342  -0.241
   79    HA   ALA  10           HA       ALA  10  -3.464  -7.361  -0.809
   80    HB1  ALA  10           1HB      ALA  10  -5.615  -7.189  -1.967
   81    HB2  ALA  10           2HB      ALA  10  -4.262  -7.216  -3.098
   82    HB3  ALA  10           3HB      ALA  10  -5.078  -5.694  -2.734
   83    H    CYS  11           H        CYS  11  -3.489  -3.871  -1.404
   84    HA   CYS  11           HA       CYS  11  -1.000  -4.073  -2.909
   85    HB2  CYS  11           2HB      CYS  11  -3.034  -2.466  -3.380
   86    HB3  CYS  11           1HB      CYS  11  -2.246  -1.451  -2.176
   87    H    ARG  12           H        ARG  12  -2.188  -3.048   0.210
   88    HA   ARG  12           HA       ARG  12   0.121  -1.677   1.094
   89    HB2  ARG  12           2HB      ARG  12  -2.124  -1.541   2.155
   90    HB3  ARG  12           1HB      ARG  12  -1.910  -3.169   2.755
   91    HG2  ARG  12           2HG      ARG  12  -0.023  -2.476   4.097
   92    HG3  ARG  12           1HG      ARG  12  -0.138  -0.839   3.449
   93    HD2  ARG  12           2HD      ARG  12  -1.141  -1.014   5.678
   94    HD3  ARG  12           1HD      ARG  12  -2.328  -0.567   4.456
   95    HE   ARG  12           HE       ARG  12  -2.065  -3.329   5.454
   96   HH11  ARG  12          1HH1      ARG  12  -3.999  -0.531   4.624
   97   HH12  ARG  12          2HH1      ARG  12  -5.509  -1.303   5.000
   98   HH21  ARG  12          1HH2      ARG  12  -4.057  -4.353   5.958
   99   HH22  ARG  12          2HH2      ARG  12  -5.540  -3.480   5.765
  100    H    ARG  13           H        ARG  13  -0.795  -5.030   1.036
  101    HA   ARG  13           HA       ARG  13   1.163  -6.011   2.812
  102    HB2  ARG  13           2HB      ARG  13  -0.733  -7.137   0.901
  103    HB3  ARG  13           1HB      ARG  13   0.758  -8.064   1.005
  104    HG2  ARG  13           2HG      ARG  13  -0.951  -7.302   3.364
  105    HG3  ARG  13           1HG      ARG  13  -1.002  -8.861   2.539
  106    HD2  ARG  13           2HD      ARG  13   1.509  -7.719   3.748
  107    HD3  ARG  13           1HD      ARG  13   0.402  -8.764   4.637
  108    HE   ARG  13           HE       ARG  13   0.849 -10.425   2.789
  109   HH11  ARG  13          1HH1      ARG  13   3.194  -7.994   3.694
  110   HH12  ARG  13          2HH1      ARG  13   4.561  -8.943   3.222
  111   HH21  ARG  13          1HH2      ARG  13   2.654 -11.691   2.161
  112   HH22  ARG  13          2HH2      ARG  13   4.253 -11.055   2.348
  113    H    ASN  14           H        ASN  14   1.262  -5.213  -0.582
  114    HA   ASN  14           HA       ASN  14   3.918  -6.354  -0.903
  115    HB2  ASN  14           2HB      ASN  14   2.505  -6.666  -2.791
  116    HB3  ASN  14           1HB      ASN  14   1.994  -4.984  -2.782
  117   HD21  ASN  14          1HD2      ASN  14   4.580  -7.189  -3.567
  118   HD22  ASN  14          2HD2      ASN  14   5.444  -6.112  -4.603
  119    H    HIS  15           H        HIS  15   2.398  -3.289  -0.340
  120    HA   HIS  15           HA       HIS  15   4.998  -1.945  -0.696
  121    HB2  HIS  15           2HB      HIS  15   2.204  -0.791  -0.796
  122    HB3  HIS  15           1HB      HIS  15   3.679   0.167  -0.870
  123    HD1  HIS  15           1HD      HIS  15   5.240  -0.329  -3.020
  124    HD2  HIS  15           2HD      HIS  15   1.346  -1.764  -3.192
  125    HE1  HIS  15           1HE      HIS  15   4.809  -0.813  -5.447
  126    HE2  HIS  15           2HE      HIS  15   2.526  -1.873  -5.488
  127    H    LYS  16           H        LYS  16   4.261  -3.449   1.647
  128    HA   LYS  16           HA       LYS  16   3.388  -1.740   3.721
  129    HB2  LYS  16           2HB      LYS  16   3.545  -4.333   3.665
  130    HB3  LYS  16           1HB      LYS  16   5.202  -4.088   4.198
  131    HG2  LYS  16           2HG      LYS  16   3.140  -2.643   5.727
  132    HG3  LYS  16           1HG      LYS  16   3.119  -4.400   5.868
  133    HD2  LYS  16           2HD      LYS  16   5.083  -4.465   6.996
  134    HD3  LYS  16           1HD      LYS  16   5.769  -3.116   6.090
  135    HE2  LYS  16           2HE      LYS  16   3.638  -2.810   8.198
  136    HE3  LYS  16           1HE      LYS  16   5.364  -2.665   8.524
  137    HZ1  LYS  16           3HZ      LYS  16   3.596  -0.857   7.032
  138    HZ2  LYS  16           1HZ      LYS  16   5.223  -0.952   6.567
  139    HZ3  LYS  16           2HZ      LYS  16   4.816  -0.497   8.145
  140    H    LYS  17           H        LYS  17   6.392  -2.090   2.123
  141    HA   LYS  17           HA       LYS  17   8.061  -1.074   4.197
  142    HB2  LYS  17           2HB      LYS  17   8.572  -2.323   1.866
  143    HB3  LYS  17           1HB      LYS  17   8.842  -0.662   1.367
  144    HG2  LYS  17           2HG      LYS  17  10.477  -0.384   3.167
  145    HG3  LYS  17           1HG      LYS  17  10.219  -2.060   3.652
  146    HD2  LYS  17           2HD      LYS  17  11.146  -1.248   0.901
  147    HD3  LYS  17           1HD      LYS  17  12.247  -1.655   2.218
  148    HE2  LYS  17           2HE      LYS  17  11.185  -3.875   2.381
  149    HE3  LYS  17           1HE      LYS  17  10.150  -3.461   1.016
  150    HZ1  LYS  17           3HZ      LYS  17  13.115  -3.633   0.953
  151    HZ2  LYS  17           1HZ      LYS  17  12.129  -3.219  -0.359
  152    HZ3  LYS  17           2HZ      LYS  17  12.044  -4.771   0.308
  153    H    PHE  18           H        PHE  18   6.219   0.302   1.582
  154    HA   PHE  18           HA       PHE  18   7.267   2.962   1.980
  155    HB2  PHE  18           2HB      PHE  18   6.255   1.796  -0.199
  156    HB3  PHE  18           1HB      PHE  18   4.765   2.494   0.426
  157    HD1  PHE  18           2HD      PHE  18   4.855   5.024   1.019
  158    HD2  PHE  18           1HD      PHE  18   7.641   3.064  -1.531
  159    HE1  PHE  18           2HE      PHE  18   5.453   7.189   0.016
  160    HE2  PHE  18           1HE      PHE  18   8.246   5.226  -2.538
  161    HZ   PHE  18           HZ       PHE  18   7.151   7.292  -1.766
  162    H    CYS  19           H        CYS  19   4.272   1.201   2.660
  163    HA   CYS  19           HA       CYS  19   3.187   3.529   4.035
  164    HB2  CYS  19           2HB      CYS  19   1.830   0.849   3.930
  165    HB3  CYS  19           1HB      CYS  19   1.114   2.447   4.050
  166    HN1  NH2  20           1H       CYS  19   4.710   3.620   5.714
  167    HN2  NH2  20           2H       CYS  19   4.650   2.527   7.051
  Start of MODEL    9
    1    H1   PHE   1           1HT      PHE   1   4.495   7.715  -6.468
    2    H2   PHE   1           2HT      PHE   1   3.217   8.537  -5.723
    3    H3   PHE   1           3HT      PHE   1   2.966   7.738  -7.192
    4    HA   PHE   1           HA       PHE   1   3.309   5.616  -6.181
    5    HB2  PHE   1           2HB      PHE   1   4.969   6.234  -4.517
    6    HB3  PHE   1           1HB      PHE   1   3.809   7.263  -3.685
    7    HD1  PHE   1           2HD      PHE   1   4.385   3.716  -4.661
    8    HD2  PHE   1           1HD      PHE   1   2.598   6.421  -1.903
    9    HE1  PHE   1           2HE      PHE   1   3.739   1.824  -3.228
   10    HE2  PHE   1           1HE      PHE   1   1.950   4.533  -0.466
   11    HZ   PHE   1           HZ       PHE   1   2.519   2.231  -1.129
   12    H    ASN   2           H        ASN   2   1.482   4.513  -5.491
   13    HA   ASN   2           HA       ASN   2  -0.907   6.154  -5.223
   14    HB2  ASN   2           2HB      ASN   2  -0.897   4.253  -6.817
   15    HB3  ASN   2           1HB      ASN   2  -0.631   3.147  -5.473
   16   HD21  ASN   2          1HD2      ASN   2  -2.494   2.007  -5.667
   17   HD22  ASN   2          2HD2      ASN   2  -4.062   2.680  -5.399
   18    H    TRP   3           H        TRP   3  -0.781   6.931  -3.136
   19    HA   TRP   3           HA       TRP   3  -0.139   5.450  -0.851
   20    HB2  TRP   3           2HB      TRP   3  -1.331   7.278   0.393
   21    HB3  TRP   3           1HB      TRP   3  -0.114   7.846  -0.745
   22    HD1  TRP   3           HD       TRP   3  -0.995   9.127  -2.945
   23    HE1  TRP   3           1HE      TRP   3  -3.212  10.331  -3.443
   24    HE3  TRP   3           3HE      TRP   3  -3.835   7.212   0.853
   25    HZ2  TRP   3           2HZ      TRP   3  -5.818  10.458  -2.368
   26    HZ3  TRP   3           3HZ      TRP   3  -6.179   7.929   1.048
   27    HH2  TRP   3           HH       TRP   3  -7.149   9.518  -0.530
   28    H    ARG   4           H        ARG   4  -2.976   5.531  -2.739
   29    HA   ARG   4           HA       ARG   4  -4.899   4.754  -0.858
   30    HB2  ARG   4           2HB      ARG   4  -4.652   4.616  -3.816
   31    HB3  ARG   4           1HB      ARG   4  -5.906   3.657  -3.048
   32    HG2  ARG   4           2HG      ARG   4  -7.094   5.501  -2.376
   33    HG3  ARG   4           1HG      ARG   4  -5.666   6.537  -2.341
   34    HD2  ARG   4           2HD      ARG   4  -7.031   7.209  -4.188
   35    HD3  ARG   4           1HD      ARG   4  -5.594   6.413  -4.825
   36    HE   ARG   4           HE       ARG   4  -8.219   5.081  -4.610
   37   HH11  ARG   4          1HH1      ARG   4  -5.225   5.712  -6.309
   38   HH12  ARG   4          2HH1      ARG   4  -5.648   4.747  -7.684
   39   HH21  ARG   4          1HH2      ARG   4  -8.780   3.788  -6.418
   40   HH22  ARG   4          2HH2      ARG   4  -7.675   3.645  -7.744
   41    H    CYS   5           H        CYS   5  -2.414   3.056  -2.419
   42    HA   CYS   5           HA       CYS   5  -3.326   0.417  -2.232
   43    HB2  CYS   5           2HB      CYS   5  -0.641   1.710  -2.336
   44    HB3  CYS   5           1HB      CYS   5  -0.731   0.005  -1.909
   45    H    CYS   6           H        CYS   6  -1.958   2.601   0.123
   46    HA   CYS   6           HA       CYS   6  -1.391   0.597   2.086
   47    HB2  CYS   6           2HB      CYS   6  -1.899   3.495   2.722
   48    HB3  CYS   6           1HB      CYS   6  -0.810   2.362   3.518
   49    H    LEU   7           H        LEU   7  -4.249   2.008   0.978
   50    HA   LEU   7           HA       LEU   7  -5.693   1.481   3.456
   51    HB2  LEU   7           2HB      LEU   7  -6.740   2.560   0.840
   52    HB3  LEU   7           1HB      LEU   7  -7.604   2.517   2.364
   53    HG   LEU   7           HG       LEU   7  -5.110   4.144   1.869
   54   HD11  LEU   7          1HD1      LEU   7  -8.000   5.000   1.927
   55   HD12  LEU   7          2HD1      LEU   7  -6.957   4.953   0.505
   56   HD13  LEU   7          3HD1      LEU   7  -6.606   6.076   1.820
   57   HD21  LEU   7          3HD2      LEU   7  -5.434   3.518   4.205
   58   HD22  LEU   7          1HD2      LEU   7  -7.083   4.145   4.152
   59   HD23  LEU   7          2HD2      LEU   7  -5.715   5.243   3.966
   60    H    ILE   8           H        ILE   8  -4.792  -0.016   0.631
   61    HA   ILE   8           HA       ILE   8  -7.015  -1.950   0.742
   62    HB   ILE   8           HB       ILE   8  -5.057  -1.483  -1.519
   63   HG12  ILE   8          2HG1      ILE   8  -6.584   0.420  -1.258
   64   HG13  ILE   8          1HG1      ILE   8  -6.951  -0.481  -2.724
   65   HG21  ILE   8          1HG2      ILE   8  -6.550  -2.928  -2.820
   66   HG22  ILE   8          2HG2      ILE   8  -7.530  -3.204  -1.379
   67   HG23  ILE   8          3HG2      ILE   8  -5.862  -3.774  -1.433
   68   HD11  ILE   8          3HD1      ILE   8  -8.456  -0.651  -0.122
   69   HD12  ILE   8          1HD1      ILE   8  -8.824  -1.560  -1.587
   70   HD13  ILE   8          2HD1      ILE   8  -8.977   0.197  -1.579
   71    HA   PRO   9           HA       PRO   9  -4.025  -4.449   3.019
   72    HB2  PRO   9           2HB      PRO   9  -6.069  -6.452   2.150
   73    HB3  PRO   9           1HB      PRO   9  -5.307  -6.235   3.730
   74    HG2  PRO   9           2HG      PRO   9  -7.776  -5.359   3.301
   75    HG3  PRO   9           1HG      PRO   9  -6.635  -4.409   4.269
   76    HD2  PRO   9           2HD      PRO   9  -7.605  -3.950   1.495
   77    HD3  PRO   9           1HD      PRO   9  -7.117  -2.775   2.732
   78    H    ALA  10           H        ALA  10  -5.358  -5.343  -0.140
   79    HA   ALA  10           HA       ALA  10  -3.474  -7.378  -0.703
   80    HB1  ALA  10           1HB      ALA  10  -5.643  -7.225  -1.826
   81    HB2  ALA  10           2HB      ALA  10  -4.311  -7.273  -2.980
   82    HB3  ALA  10           3HB      ALA  10  -5.119  -5.745  -2.629
   83    H    CYS  11           H        CYS  11  -3.512  -3.900  -1.370
   84    HA   CYS  11           HA       CYS  11  -1.038  -4.134  -2.895
   85    HB2  CYS  11           2HB      CYS  11  -3.058  -2.544  -3.412
   86    HB3  CYS  11           1HB      CYS  11  -2.305  -1.505  -2.206
   87    H    ARG  12           H        ARG  12  -2.201  -3.057   0.213
   88    HA   ARG  12           HA       ARG  12   0.112  -1.674   1.061
   89    HB2  ARG  12           2HB      ARG  12  -2.129  -1.551   2.144
   90    HB3  ARG  12           1HB      ARG  12  -1.880  -3.165   2.771
   91    HG2  ARG  12           2HG      ARG  12   0.023  -2.412   4.064
   92    HG3  ARG  12           1HG      ARG  12  -0.139  -0.789   3.391
   93    HD2  ARG  12           2HD      ARG  12  -1.095  -0.940   5.639
   94    HD3  ARG  12           1HD      ARG  12  -2.318  -0.550   4.432
   95    HE   ARG  12           HE       ARG  12  -1.963  -3.282   5.484
   96   HH11  ARG  12          1HH1      ARG  12  -3.986  -0.555   4.631
   97   HH12  ARG  12          2HH1      ARG  12  -5.468  -1.356   5.053
   98   HH21  ARG  12          1HH2      ARG  12  -3.916  -4.344   6.052
   99   HH22  ARG  12          2HH2      ARG  12  -5.425  -3.515   5.869
  100    H    ARG  13           H        ARG  13  -0.787  -5.023   1.002
  101    HA   ARG  13           HA       ARG  13   1.182  -6.016   2.762
  102    HB2  ARG  13           2HB      ARG  13  -0.801  -7.307   1.994
  103    HB3  ARG  13           1HB      ARG  13  -0.069  -7.432   0.401
  104    HG2  ARG  13           2HG      ARG  13   0.277  -9.475   1.629
  105    HG3  ARG  13           1HG      ARG  13   1.823  -8.657   1.387
  106    HD2  ARG  13           2HD      ARG  13   1.437  -7.644   3.705
  107    HD3  ARG  13           1HD      ARG  13   0.181  -8.867   3.895
  108    HE   ARG  13           HE       ARG  13   2.913  -9.685   3.200
  109   HH11  ARG  13          1HH1      ARG  13   0.246  -9.655   5.461
  110   HH12  ARG  13          2HH1      ARG  13   0.918 -10.881   6.481
  111   HH21  ARG  13          1HH2      ARG  13   3.816 -11.311   4.540
  112   HH22  ARG  13          2HH2      ARG  13   2.960 -11.828   5.955
  113    H    ASN  14           H        ASN  14   1.249  -5.167  -0.620
  114    HA   ASN  14           HA       ASN  14   3.904  -6.292  -0.996
  115    HB2  ASN  14           2HB      ASN  14   2.449  -6.569  -2.864
  116    HB3  ASN  14           1HB      ASN  14   1.962  -4.879  -2.826
  117   HD21  ASN  14          1HD2      ASN  14   4.517  -7.104  -3.663
  118   HD22  ASN  14          2HD2      ASN  14   5.379  -6.025  -4.698
  119    H    HIS  15           H        HIS  15   2.389  -3.249  -0.334
  120    HA   HIS  15           HA       HIS  15   4.981  -1.892  -0.695
  121    HB2  HIS  15           2HB      HIS  15   2.182  -0.747  -0.756
  122    HB3  HIS  15           1HB      HIS  15   3.652   0.221  -0.812
  123    HD1  HIS  15           1HD      HIS  15   5.232  -0.274  -2.965
  124    HD2  HIS  15           2HD      HIS  15   1.311  -1.628  -3.177
  125    HE1  HIS  15           1HE      HIS  15   4.801  -0.705  -5.402
  126    HE2  HIS  15           2HE      HIS  15   2.501  -1.731  -5.467
  127    H    LYS  16           H        LYS  16   4.265  -3.447   1.617
  128    HA   LYS  16           HA       LYS  16   3.402  -1.790   3.737
  129    HB2  LYS  16           2HB      LYS  16   3.577  -4.388   3.597
  130    HB3  LYS  16           1HB      LYS  16   5.223  -4.139   4.164
  131    HG2  LYS  16           2HG      LYS  16   3.111  -2.764   5.694
  132    HG3  LYS  16           1HG      LYS  16   3.124  -4.525   5.792
  133    HD2  LYS  16           2HD      LYS  16   5.056  -4.573   6.965
  134    HD3  LYS  16           1HD      LYS  16   5.748  -3.212   6.079
  135    HE2  LYS  16           2HE      LYS  16   3.593  -2.957   8.174
  136    HE3  LYS  16           1HE      LYS  16   5.315  -2.761   8.497
  137    HZ1  LYS  16           3HZ      LYS  16   3.515  -1.024   6.942
  138    HZ2  LYS  16           1HZ      LYS  16   5.171  -1.032   6.593
  139    HZ3  LYS  16           2HZ      LYS  16   4.631  -0.607   8.139
  140    H    LYS  17           H        LYS  17   6.407  -2.114   2.120
  141    HA   LYS  17           HA       LYS  17   8.042  -1.098   4.231
  142    HB2  LYS  17           2HB      LYS  17   8.407  -1.901   1.430
  143    HB3  LYS  17           1HB      LYS  17   9.449  -0.581   1.942
  144    HG2  LYS  17           2HG      LYS  17  10.224  -1.966   3.830
  145    HG3  LYS  17           1HG      LYS  17   9.233  -3.296   3.228
  146    HD2  LYS  17           2HD      LYS  17  10.513  -3.414   1.204
  147    HD3  LYS  17           1HD      LYS  17  11.401  -1.948   1.623
  148    HE2  LYS  17           2HE      LYS  17  11.475  -4.527   3.187
  149    HE3  LYS  17           1HE      LYS  17  12.696  -4.019   2.021
  150    HZ1  LYS  17           3HZ      LYS  17  13.373  -3.501   4.276
  151    HZ2  LYS  17           1HZ      LYS  17  11.977  -2.575   4.517
  152    HZ3  LYS  17           2HZ      LYS  17  13.141  -2.075   3.395
  153    H    PHE  18           H        PHE  18   6.083   0.271   1.753
  154    HA   PHE  18           HA       PHE  18   7.254   2.915   2.060
  155    HB2  PHE  18           2HB      PHE  18   6.208   1.730  -0.113
  156    HB3  PHE  18           1HB      PHE  18   4.755   2.517   0.496
  157    HD1  PHE  18           1HD      PHE  18   4.885   5.035   0.953
  158    HD2  PHE  18           2HD      PHE  18   7.752   2.915  -1.369
  159    HE1  PHE  18           1HE      PHE  18   5.596   7.147  -0.091
  160    HE2  PHE  18           2HE      PHE  18   8.470   5.023  -2.415
  161    HZ   PHE  18           HZ       PHE  18   7.392   7.143  -1.776
  162    H    CYS  19           H        CYS  19   4.238   1.192   2.721
  163    HA   CYS  19           HA       CYS  19   3.161   3.531   4.084
  164    HB2  CYS  19           2HB      CYS  19   1.776   0.865   3.970
  165    HB3  CYS  19           1HB      CYS  19   1.076   2.473   4.071
  166    HN1  NH2  20           1H       CYS  19   4.591   3.646   5.814
  167    HN2  NH2  20           2H       CYS  19   4.540   2.530   7.131
  Start of MODEL   10
    1    H1   PHE   1           1HT      PHE   1   2.813   7.586  -7.487
    2    H2   PHE   1           2HT      PHE   1   4.353   7.592  -6.786
    3    H3   PHE   1           3HT      PHE   1   3.098   8.482  -6.082
    4    HA   PHE   1           HA       PHE   1   3.121   5.538  -6.344
    5    HB2  PHE   1           2HB      PHE   1   4.854   6.207  -4.783
    6    HB3  PHE   1           1HB      PHE   1   3.758   7.326  -3.982
    7    HD1  PHE   1           1HD      PHE   1   4.218   3.709  -4.720
    8    HD2  PHE   1           2HD      PHE   1   2.562   6.643  -2.121
    9    HE1  PHE   1           1HE      PHE   1   3.573   1.938  -3.140
   10    HE2  PHE   1           2HE      PHE   1   1.914   4.876  -0.535
   11    HZ   PHE   1           HZ       PHE   1   2.419   2.521  -1.044
   12    H    ASN   2           H        ASN   2   1.277   4.537  -5.590
   13    HA   ASN   2           HA       ASN   2  -1.038   6.275  -5.269
   14    HB2  ASN   2           2HB      ASN   2  -1.196   4.391  -6.850
   15    HB3  ASN   2           1HB      ASN   2  -0.869   3.262  -5.538
   16   HD21  ASN   2          1HD2      ASN   2  -2.795   2.180  -5.747
   17   HD22  ASN   2          2HD2      ASN   2  -4.318   2.881  -5.328
   18    H    TRP   3           H        TRP   3  -0.966   7.052  -3.212
   19    HA   TRP   3           HA       TRP   3  -0.219   5.620  -0.924
   20    HB2  TRP   3           2HB      TRP   3  -1.508   7.436   0.305
   21    HB3  TRP   3           1HB      TRP   3  -0.226   7.984  -0.769
   22    HD1  TRP   3           HD       TRP   3  -0.953   9.304  -2.980
   23    HE1  TRP   3           1HE      TRP   3  -3.128  10.517  -3.622
   24    HE3  TRP   3           3HE      TRP   3  -4.060   7.338   0.574
   25    HZ2  TRP   3           2HZ      TRP   3  -5.807  10.629  -2.738
   26    HZ3  TRP   3           3HZ      TRP   3  -6.413   8.053   0.608
   27    HH2  TRP   3           HH       TRP   3  -7.267   9.665  -1.015
   28    H    ARG   4           H        ARG   4  -3.111   5.593  -2.741
   29    HA   ARG   4           HA       ARG   4  -4.942   4.795  -0.770
   30    HB2  ARG   4           2HB      ARG   4  -4.826   4.678  -3.729
   31    HB3  ARG   4           1HB      ARG   4  -5.986   3.632  -2.928
   32    HG2  ARG   4           2HG      ARG   4  -7.142   5.462  -1.995
   33    HG3  ARG   4           1HG      ARG   4  -5.831   6.579  -2.382
   34    HD2  ARG   4           2HD      ARG   4  -6.270   6.115  -4.801
   35    HD3  ARG   4           1HD      ARG   4  -7.696   5.205  -4.307
   36    HE   ARG   4           HE       ARG   4  -8.445   7.364  -3.257
   37   HH11  ARG   4          1HH1      ARG   4  -6.277   7.306  -5.998
   38   HH12  ARG   4          2HH1      ARG   4  -6.764   8.861  -6.587
   39   HH21  ARG   4          1HH2      ARG   4  -9.095   9.426  -4.021
   40   HH22  ARG   4          2HH2      ARG   4  -8.373  10.073  -5.456
   41    H    CYS   5           H        CYS   5  -2.472   3.150  -2.411
   42    HA   CYS   5           HA       CYS   5  -3.301   0.484  -2.169
   43    HB2  CYS   5           2HB      CYS   5  -0.668   1.863  -2.396
   44    HB3  CYS   5           1HB      CYS   5  -0.676   0.166  -1.929
   45    H    CYS   6           H        CYS   6  -1.934   2.736   0.112
   46    HA   CYS   6           HA       CYS   6  -1.211   0.788   2.076
   47    HB2  CYS   6           2HB      CYS   6  -1.812   3.682   2.659
   48    HB3  CYS   6           1HB      CYS   6  -0.683   2.606   3.478
   49    H    LEU   7           H        LEU   7  -4.163   2.066   1.063
   50    HA   LEU   7           HA       LEU   7  -5.484   1.456   3.605
   51    HB2  LEU   7           2HB      LEU   7  -6.635   2.714   1.112
   52    HB3  LEU   7           1HB      LEU   7  -7.436   2.568   2.664
   53    HG   LEU   7           HG       LEU   7  -4.943   4.205   2.195
   54   HD11  LEU   7          1HD1      LEU   7  -6.414   6.152   2.305
   55   HD12  LEU   7          2HD1      LEU   7  -7.819   5.090   2.389
   56   HD13  LEU   7          3HD1      LEU   7  -6.820   5.118   0.936
   57   HD21  LEU   7          3HD2      LEU   7  -6.856   4.081   4.525
   58   HD22  LEU   7          1HD2      LEU   7  -5.477   5.169   4.375
   59   HD23  LEU   7          2HD2      LEU   7  -5.219   3.429   4.493
   60    H    ILE   8           H        ILE   8  -4.536  -0.096   0.926
   61    HA   ILE   8           HA       ILE   8  -6.863  -1.908   0.922
   62    HB   ILE   8           HB       ILE   8  -4.928  -1.467  -1.361
   63   HG12  ILE   8          2HG1      ILE   8  -7.807  -0.558  -1.177
   64   HG13  ILE   8          1HG1      ILE   8  -6.432   0.495  -0.860
   65   HG21  ILE   8          1HG2      ILE   8  -6.667  -2.724  -2.650
   66   HG22  ILE   8          2HG2      ILE   8  -7.454  -3.090  -1.114
   67   HG23  ILE   8          3HG2      ILE   8  -5.821  -3.677  -1.430
   68   HD11  ILE   8          3HD1      ILE   8  -7.291   0.808  -3.109
   69   HD12  ILE   8          1HD1      ILE   8  -7.022  -0.899  -3.461
   70   HD13  ILE   8          2HD1      ILE   8  -5.650   0.163  -3.143
   71    HA   PRO   9           HA       PRO   9  -3.824  -4.611   2.870
   72    HB2  PRO   9           2HB      PRO   9  -5.513  -6.809   2.798
   73    HB3  PRO   9           1HB      PRO   9  -5.456  -5.610   4.093
   74    HG2  PRO   9           2HG      PRO   9  -7.334  -5.817   1.777
   75    HG3  PRO   9           1HG      PRO   9  -7.669  -5.364   3.460
   76    HD2  PRO   9           2HD      PRO   9  -7.508  -3.515   1.531
   77    HD3  PRO   9           1HD      PRO   9  -6.881  -3.199   3.164
   78    H    ALA  10           H        ALA  10  -5.242  -4.881  -0.233
   79    HA   ALA  10           HA       ALA  10  -3.795  -7.276  -0.973
   80    HB1  ALA  10           1HB      ALA  10  -4.809  -6.971  -3.168
   81    HB2  ALA  10           2HB      ALA  10  -5.430  -5.396  -2.674
   82    HB3  ALA  10           3HB      ALA  10  -6.025  -6.862  -1.895
   83    H    CYS  11           H        CYS  11  -3.458  -3.803  -1.276
   84    HA   CYS  11           HA       CYS  11  -1.148  -4.151  -3.050
   85    HB2  CYS  11           2HB      CYS  11  -3.032  -2.437  -3.494
   86    HB3  CYS  11           1HB      CYS  11  -2.289  -1.495  -2.207
   87    H    ARG  12           H        ARG  12  -2.061  -2.889   0.120
   88    HA   ARG  12           HA       ARG  12   0.479  -1.829   0.797
   89    HB2  ARG  12           2HB      ARG  12  -1.838  -1.508   1.939
   90    HB3  ARG  12           1HB      ARG  12  -1.402  -2.946   2.843
   91    HG2  ARG  12           2HG      ARG  12   0.730  -1.770   3.485
   92    HG3  ARG  12           1HG      ARG  12   0.026  -0.303   2.800
   93    HD2  ARG  12           2HD      ARG  12  -1.856  -0.487   4.350
   94    HD3  ARG  12           1HD      ARG  12  -1.153  -1.953   5.033
   95    HE   ARG  12           HE       ARG  12   0.831  -0.320   5.490
   96   HH11  ARG  12          1HH1      ARG  12  -2.579   0.441   5.707
   97   HH12  ARG  12          2HH1      ARG  12  -2.373   1.584   6.994
   98   HH21  ARG  12          1HH2      ARG  12   1.122   1.210   7.154
   99   HH22  ARG  12          2HH2      ARG  12  -0.258   2.026   7.820
  100    H    ARG  13           H        ARG  13  -0.745  -4.973   0.591
  101    HA   ARG  13           HA       ARG  13   0.689  -6.414   2.458
  102    HB2  ARG  13           2HB      ARG  13  -1.060  -7.267   0.845
  103    HB3  ARG  13           1HB      ARG  13   0.196  -7.307  -0.383
  104    HG2  ARG  13           2HG      ARG  13   1.453  -8.923   0.931
  105    HG3  ARG  13           1HG      ARG  13   0.223  -8.861   2.197
  106    HD2  ARG  13           2HD      ARG  13  -0.101  -9.853  -0.631
  107    HD3  ARG  13           1HD      ARG  13  -0.182 -10.802   0.852
  108    HE   ARG  13           HE       ARG  13  -2.157  -9.055   1.246
  109   HH11  ARG  13          1HH1      ARG  13  -1.350 -10.980  -1.559
  110   HH12  ARG  13          2HH1      ARG  13  -2.988 -11.115  -2.103
  111   HH21  ARG  13          1HH2      ARG  13  -4.325  -9.225   0.539
  112   HH22  ARG  13          2HH2      ARG  13  -4.690 -10.113  -0.902
  113    H    ASN  14           H        ASN  14   1.691  -5.495  -0.826
  114    HA   ASN  14           HA       ASN  14   4.416  -6.376  -0.217
  115    HB2  ASN  14           2HB      ASN  14   3.338  -7.076  -2.364
  116    HB3  ASN  14           1HB      ASN  14   3.291  -5.385  -2.847
  117   HD21  ASN  14          1HD2      ASN  14   4.556  -5.999  -4.670
  118   HD22  ASN  14          2HD2      ASN  14   6.262  -6.229  -4.521
  119    H    HIS  15           H        HIS  15   2.516  -3.578  -0.273
  120    HA   HIS  15           HA       HIS  15   4.853  -1.830  -0.619
  121    HB2  HIS  15           2HB      HIS  15   1.893  -1.297  -0.775
  122    HB3  HIS  15           1HB      HIS  15   3.061   0.011  -0.631
  123    HD1  HIS  15           1HD      HIS  15   4.698   0.350  -2.674
  124    HD2  HIS  15           2HD      HIS  15   1.639  -2.395  -3.292
  125    HE1  HIS  15           1HE      HIS  15   4.626  -0.031  -5.157
  126    HE2  HIS  15           2HE      HIS  15   2.651  -1.553  -5.517
  127    H    LYS  16           H        LYS  16   4.086  -3.459   1.759
  128    HA   LYS  16           HA       LYS  16   3.209  -1.765   3.837
  129    HB2  LYS  16           2HB      LYS  16   3.216  -4.269   3.893
  130    HB3  LYS  16           1HB      LYS  16   4.963  -4.217   4.073
  131    HG2  LYS  16           2HG      LYS  16   4.672  -2.953   6.175
  132    HG3  LYS  16           1HG      LYS  16   2.923  -3.133   6.003
  133    HD2  LYS  16           2HD      LYS  16   3.123  -5.540   6.120
  134    HD3  LYS  16           1HD      LYS  16   4.884  -5.421   6.163
  135    HE2  LYS  16           2HE      LYS  16   4.720  -4.189   8.290
  136    HE3  LYS  16           1HE      LYS  16   2.969  -4.385   8.251
  137    HZ1  LYS  16           3HZ      LYS  16   4.938  -6.605   8.341
  138    HZ2  LYS  16           1HZ      LYS  16   3.254  -6.769   8.357
  139    HZ3  LYS  16           2HZ      LYS  16   4.046  -6.038   9.661
  140    H    LYS  17           H        LYS  17   6.218  -2.157   2.265
  141    HA   LYS  17           HA       LYS  17   7.939  -1.210   4.297
  142    HB2  LYS  17           2HB      LYS  17   8.277  -1.117   1.295
  143    HB3  LYS  17           1HB      LYS  17   9.556  -0.886   2.472
  144    HG2  LYS  17           2HG      LYS  17   9.952  -3.065   2.388
  145    HG3  LYS  17           1HG      LYS  17   8.364  -3.343   3.107
  146    HD2  LYS  17           2HD      LYS  17   7.401  -3.239   0.790
  147    HD3  LYS  17           1HD      LYS  17   9.055  -3.210   0.174
  148    HE2  LYS  17           2HE      LYS  17   9.481  -5.364   1.298
  149    HE3  LYS  17           1HE      LYS  17   7.804  -5.393   1.842
  150    HZ1  LYS  17           3HZ      LYS  17   8.031  -6.735  -0.115
  151    HZ2  LYS  17           1HZ      LYS  17   8.746  -5.465  -0.973
  152    HZ3  LYS  17           2HZ      LYS  17   7.121  -5.365  -0.514
  153    H    PHE  18           H        PHE  18   6.365   0.343   1.556
  154    HA   PHE  18           HA       PHE  18   7.361   2.946   2.173
  155    HB2  PHE  18           2HB      PHE  18   6.485   1.954  -0.101
  156    HB3  PHE  18           1HB      PHE  18   4.922   2.506   0.488
  157    HD1  PHE  18           2HD      PHE  18   4.555   4.920   0.929
  158    HD2  PHE  18           1HD      PHE  18   8.096   3.469  -0.930
  159    HE1  PHE  18           2HE      PHE  18   5.053   7.189   0.116
  160    HE2  PHE  18           1HE      PHE  18   8.601   5.734  -1.745
  161    HZ   PHE  18           HZ       PHE  18   7.079   7.597  -1.223
  162    H    CYS  19           H        CYS  19   4.296   1.243   2.657
  163    HA   CYS  19           HA       CYS  19   3.221   3.539   4.100
  164    HB2  CYS  19           2HB      CYS  19   1.781   0.923   3.759
  165    HB3  CYS  19           1HB      CYS  19   1.111   2.534   3.957
  166    HN1  NH2  20           1H       CYS  19   5.249   2.845   5.514
  167    HN2  NH2  20           2H       CYS  19   4.836   1.910   6.908
  Start of MODEL   11
    1    H1   PHE   1           1HT      PHE   1   3.515   8.163  -5.900
    2    H2   PHE   1           2HT      PHE   1   3.221   7.233  -7.281
    3    H3   PHE   1           3HT      PHE   1   4.750   7.206  -6.554
    4    HA   PHE   1           HA       PHE   1   3.483   5.209  -6.049
    5    HB2  PHE   1           2HB      PHE   1   5.136   5.957  -4.430
    6    HB3  PHE   1           1HB      PHE   1   3.991   7.097  -3.733
    7    HD1  PHE   1           2HD      PHE   1   4.392   3.445  -4.375
    8    HD2  PHE   1           1HD      PHE   1   2.818   6.489  -1.850
    9    HE1  PHE   1           2HE      PHE   1   3.663   1.732  -2.767
   10    HE2  PHE   1           1HE      PHE   1   2.088   4.780  -0.239
   11    HZ   PHE   1           HZ       PHE   1   2.510   2.399  -0.697
   12    H    ASN   2           H        ASN   2   1.592   4.257  -5.332
   13    HA   ASN   2           HA       ASN   2  -0.715   6.037  -5.215
   14    HB2  ASN   2           2HB      ASN   2  -0.812   4.127  -6.764
   15    HB3  ASN   2           1HB      ASN   2  -0.577   3.018  -5.416
   16   HD21  ASN   2          1HD2      ASN   2  -2.534   1.994  -5.908
   17   HD22  ASN   2          2HD2      ASN   2  -4.056   2.713  -5.521
   18    H    TRP   3           H        TRP   3  -0.775   6.860  -3.190
   19    HA   TRP   3           HA       TRP   3  -0.178   5.491  -0.822
   20    HB2  TRP   3           2HB      TRP   3  -1.413   7.351   0.308
   21    HB3  TRP   3           1HB      TRP   3  -0.193   7.896  -0.837
   22    HD1  TRP   3           HD       TRP   3  -1.099   8.967  -3.167
   23    HE1  TRP   3           1HE      TRP   3  -3.324  10.136  -3.723
   24    HE3  TRP   3           3HE      TRP   3  -3.873   7.381   0.825
   25    HZ2  TRP   3           2HZ      TRP   3  -5.910  10.359  -2.615
   26    HZ3  TRP   3           3HZ      TRP   3  -6.213   8.119   1.003
   27    HH2  TRP   3           HH       TRP   3  -7.209   9.578  -0.682
   28    H    ARG   4           H        ARG   4  -2.993   5.478  -2.789
   29    HA   ARG   4           HA       ARG   4  -4.906   4.726  -0.884
   30    HB2  ARG   4           2HB      ARG   4  -4.702   4.576  -3.832
   31    HB3  ARG   4           1HB      ARG   4  -5.873   3.518  -3.063
   32    HG2  ARG   4           2HG      ARG   4  -5.749   6.519  -2.831
   33    HG3  ARG   4           1HG      ARG   4  -6.917   5.588  -3.768
   34    HD2  ARG   4           2HD      ARG   4  -6.614   5.713  -0.774
   35    HD3  ARG   4           1HD      ARG   4  -7.994   6.220  -1.746
   36    HE   ARG   4           HE       ARG   4  -7.467   3.453  -2.102
   37   HH11  ARG   4          1HH1      ARG   4  -8.861   5.735   0.148
   38   HH12  ARG   4          2HH1      ARG   4  -9.903   4.569   0.892
   39   HH21  ARG   4          1HH2      ARG   4  -8.837   1.897  -1.118
   40   HH22  ARG   4          2HH2      ARG   4  -9.886   2.377   0.172
   41    H    CYS   5           H        CYS   5  -2.393   3.004  -2.376
   42    HA   CYS   5           HA       CYS   5  -3.319   0.368  -2.113
   43    HB2  CYS   5           2HB      CYS   5  -0.602   1.619  -2.207
   44    HB3  CYS   5           1HB      CYS   5  -0.759  -0.096  -1.843
   45    H    CYS   6           H        CYS   6  -1.973   2.625   0.175
   46    HA   CYS   6           HA       CYS   6  -1.398   0.680   2.195
   47    HB2  CYS   6           2HB      CYS   6  -1.921   3.591   2.748
   48    HB3  CYS   6           1HB      CYS   6  -0.824   2.484   3.574
   49    H    LEU   7           H        LEU   7  -4.249   2.111   1.057
   50    HA   LEU   7           HA       LEU   7  -5.695   1.510   3.537
   51    HB2  LEU   7           2HB      LEU   7  -6.506   3.022   1.052
   52    HB3  LEU   7           1HB      LEU   7  -7.620   2.628   2.349
   53    HG   LEU   7           HG       LEU   7  -5.722   3.874   3.783
   54   HD11  LEU   7          1HD1      LEU   7  -4.918   5.827   2.569
   55   HD12  LEU   7          2HD1      LEU   7  -5.644   5.213   1.084
   56   HD13  LEU   7          3HD1      LEU   7  -4.316   4.337   1.844
   57   HD21  LEU   7          3HD2      LEU   7  -7.930   5.223   2.234
   58   HD22  LEU   7          1HD2      LEU   7  -7.131   5.874   3.665
   59   HD23  LEU   7          2HD2      LEU   7  -8.097   4.403   3.787
   60    H    ILE   8           H        ILE   8  -4.639  -0.099   1.003
   61    HA   ILE   8           HA       ILE   8  -6.993  -1.866   0.885
   62    HB   ILE   8           HB       ILE   8  -5.074  -1.325  -1.396
   63   HG12  ILE   8          2HG1      ILE   8  -8.005  -0.600  -1.219
   64   HG13  ILE   8          1HG1      ILE   8  -6.704   0.534  -0.874
   65   HG21  ILE   8          1HG2      ILE   8  -5.892  -3.612  -1.388
   66   HG22  ILE   8          2HG2      ILE   8  -6.619  -2.708  -2.718
   67   HG23  ILE   8          3HG2      ILE   8  -7.555  -3.038  -1.260
   68   HD11  ILE   8          3HD1      ILE   8  -5.888   0.307  -3.152
   69   HD12  ILE   8          1HD1      ILE   8  -7.576   0.816  -3.128
   70   HD13  ILE   8          2HD1      ILE   8  -7.164  -0.858  -3.501
   71    HA   PRO   9           HA       PRO   9  -3.914  -4.399   3.049
   72    HB2  PRO   9           2HB      PRO   9  -6.065  -6.337   2.291
   73    HB3  PRO   9           1HB      PRO   9  -5.194  -6.166   3.821
   74    HG2  PRO   9           2HG      PRO   9  -7.657  -5.202   3.558
   75    HG3  PRO   9           1HG      PRO   9  -6.424  -4.307   4.466
   76    HD2  PRO   9           2HD      PRO   9  -7.566  -3.757   1.780
   77    HD3  PRO   9           1HD      PRO   9  -6.922  -2.629   2.989
   78    H    ALA  10           H        ALA  10  -5.444  -5.258  -0.029
   79    HA   ALA  10           HA       ALA  10  -3.670  -7.351  -0.696
   80    HB1  ALA  10           1HB      ALA  10  -5.873  -7.084  -1.727
   81    HB2  ALA  10           2HB      ALA  10  -4.592  -7.182  -2.936
   82    HB3  ALA  10           3HB      ALA  10  -5.312  -5.621  -2.537
   83    H    CYS  11           H        CYS  11  -3.587  -3.870  -1.347
   84    HA   CYS  11           HA       CYS  11  -1.182  -4.191  -2.964
   85    HB2  CYS  11           2HB      CYS  11  -3.138  -2.547  -3.449
   86    HB3  CYS  11           1HB      CYS  11  -2.383  -1.538  -2.220
   87    H    ARG  12           H        ARG  12  -2.167  -3.056   0.200
   88    HA   ARG  12           HA       ARG  12   0.233  -1.731   0.884
   89    HB2  ARG  12           2HB      ARG  12  -2.022  -1.619   2.072
   90    HB3  ARG  12           1HB      ARG  12  -1.565  -3.119   2.855
   91    HG2  ARG  12           2HG      ARG  12   0.460  -2.014   3.727
   92    HG3  ARG  12           1HG      ARG  12  -0.102  -0.498   3.022
   93    HD2  ARG  12           2HD      ARG  12  -2.103  -0.584   4.409
   94    HD3  ARG  12           1HD      ARG  12  -1.572  -2.122   5.092
   95    HE   ARG  12           HE       ARG  12   0.474  -0.699   5.800
   96   HH11  ARG  12          1HH1      ARG  12  -2.840   0.421   5.670
   97   HH12  ARG  12          2HH1      ARG  12  -2.647   1.541   6.980
   98   HH21  ARG  12          1HH2      ARG  12   0.751   0.788   7.499
   99   HH22  ARG  12          2HH2      ARG  12  -0.591   1.753   8.027
  100    H    ARG  13           H        ARG  13  -0.724  -5.060   0.906
  101    HA   ARG  13           HA       ARG  13   1.239  -6.096   2.622
  102    HB2  ARG  13           2HB      ARG  13  -0.417  -7.224   0.411
  103    HB3  ARG  13           1HB      ARG  13   0.936  -8.175   1.008
  104    HG2  ARG  13           2HG      ARG  13   0.014  -8.175   3.233
  105    HG3  ARG  13           1HG      ARG  13  -1.292  -7.102   2.723
  106    HD2  ARG  13           2HD      ARG  13  -2.125  -8.810   1.205
  107    HD3  ARG  13           1HD      ARG  13  -0.794  -9.876   1.652
  108    HE   ARG  13           HE       ARG  13  -2.406  -9.027   3.878
  109   HH11  ARG  13          1HH1      ARG  13  -2.047 -11.389   1.327
  110   HH12  ARG  13          2HH1      ARG  13  -2.979 -12.604   2.136
  111   HH21  ARG  13          1HH2      ARG  13  -3.639 -10.628   4.963
  112   HH22  ARG  13          2HH2      ARG  13  -3.888 -12.169   4.213
  113    H    ASN  14           H        ASN  14   1.337  -5.198  -0.750
  114    HA   ASN  14           HA       ASN  14   4.033  -6.240  -1.083
  115    HB2  ASN  14           2HB      ASN  14   2.631  -6.562  -2.982
  116    HB3  ASN  14           1HB      ASN  14   2.071  -4.895  -2.943
  117   HD21  ASN  14          1HD2      ASN  14   4.714  -7.013  -3.763
  118   HD22  ASN  14          2HD2      ASN  14   5.560  -5.890  -4.765
  119    H    HIS  15           H        HIS  15   2.402  -3.249  -0.446
  120    HA   HIS  15           HA       HIS  15   4.929  -1.789  -0.830
  121    HB2  HIS  15           2HB      HIS  15   2.083  -0.772  -0.794
  122    HB3  HIS  15           1HB      HIS  15   3.502   0.270  -0.859
  123    HD1  HIS  15           1HD      HIS  15   5.124  -0.278  -3.035
  124    HD2  HIS  15           2HD      HIS  15   1.155  -1.485  -3.233
  125    HE1  HIS  15           1HE      HIS  15   4.656  -0.652  -5.475
  126    HE2  HIS  15           2HE      HIS  15   2.320  -1.589  -5.537
  127    H    LYS  16           H        LYS  16   4.453  -3.401   1.442
  128    HA   LYS  16           HA       LYS  16   3.619  -1.845   3.670
  129    HB2  LYS  16           2HB      LYS  16   4.613  -3.653   5.026
  130    HB3  LYS  16           1HB      LYS  16   3.561  -4.271   3.761
  131    HG2  LYS  16           2HG      LYS  16   5.442  -4.914   2.423
  132    HG3  LYS  16           1HG      LYS  16   6.559  -4.128   3.538
  133    HD2  LYS  16           2HD      LYS  16   6.571  -6.525   3.898
  134    HD3  LYS  16           1HD      LYS  16   5.882  -5.708   5.300
  135    HE2  LYS  16           2HE      LYS  16   3.657  -6.287   4.618
  136    HE3  LYS  16           1HE      LYS  16   4.244  -6.925   3.083
  137    HZ1  LYS  16           3HZ      LYS  16   3.802  -8.728   4.570
  138    HZ2  LYS  16           1HZ      LYS  16   4.765  -8.044   5.782
  139    HZ3  LYS  16           2HZ      LYS  16   5.476  -8.617   4.359
  140    H    LYS  17           H        LYS  17   6.336  -1.640   1.763
  141    HA   LYS  17           HA       LYS  17   8.199  -0.933   3.837
  142    HB2  LYS  17           2HB      LYS  17   8.331  -1.530   1.031
  143    HB3  LYS  17           1HB      LYS  17   9.151  -0.009   1.347
  144    HG2  LYS  17           2HG      LYS  17   9.713  -2.587   2.799
  145    HG3  LYS  17           1HG      LYS  17  10.648  -1.970   1.436
  146    HD2  LYS  17           2HD      LYS  17  11.289  -0.017   2.696
  147    HD3  LYS  17           1HD      LYS  17  10.233  -0.486   4.029
  148    HE2  LYS  17           2HE      LYS  17  12.519  -2.191   3.070
  149    HE3  LYS  17           1HE      LYS  17  12.697  -0.972   4.330
  150    HZ1  LYS  17           3HZ      LYS  17  10.932  -2.144   5.578
  151    HZ2  LYS  17           1HZ      LYS  17  12.321  -3.083   5.346
  152    HZ3  LYS  17           2HZ      LYS  17  10.944  -3.364   4.407
  153    H    PHE  18           H        PHE  18   5.904   0.642   1.848
  154    HA   PHE  18           HA       PHE  18   6.951   3.277   2.591
  155    HB2  PHE  18           2HB      PHE  18   4.944   2.385   0.522
  156    HB3  PHE  18           1HB      PHE  18   5.127   4.075   0.979
  157    HD1  PHE  18           1HD      PHE  18   7.216   5.269   0.490
  158    HD2  PHE  18           2HD      PHE  18   6.538   1.294  -0.869
  159    HE1  PHE  18           1HE      PHE  18   9.049   5.515  -1.134
  160    HE2  PHE  18           2HE      PHE  18   8.371   1.531  -2.493
  161    HZ   PHE  18           HZ       PHE  18   9.629   3.645  -2.625
  162    H    CYS  19           H        CYS  19   4.089   1.232   2.758
  163    HA   CYS  19           HA       CYS  19   2.751   3.195   4.459
  164    HB2  CYS  19           2HB      CYS  19   1.520   0.561   3.758
  165    HB3  CYS  19           1HB      CYS  19   0.755   2.119   4.017
  166    HN1  NH2  20           1H       CYS  19   4.875   2.372   5.761
  167    HN2  NH2  20           2H       CYS  19   4.482   1.252   7.018
  Start of MODEL   12
    1    H1   PHE   1           1HT      PHE   1   3.124   6.312  -7.843
    2    H2   PHE   1           2HT      PHE   1   4.668   6.019  -7.217
    3    H3   PHE   1           3HT      PHE   1   3.775   7.352  -6.680
    4    HA   PHE   1           HA       PHE   1   3.020   4.521  -6.274
    5    HB2  PHE   1           2HB      PHE   1   4.984   5.135  -4.936
    6    HB3  PHE   1           1HB      PHE   1   4.157   6.572  -4.348
    7    HD1  PHE   1           2HD      PHE   1   3.754   2.865  -4.454
    8    HD2  PHE   1           1HD      PHE   1   3.098   6.481  -2.307
    9    HE1  PHE   1           2HE      PHE   1   2.871   1.574  -2.555
   10    HE2  PHE   1           1HE      PHE   1   2.217   5.195  -0.405
   11    HZ   PHE   1           HZ       PHE   1   2.101   2.739  -0.528
   12    H    ASN   2           H        ASN   2   1.100   4.240  -5.058
   13    HA   ASN   2           HA       ASN   2  -0.608   6.636  -4.925
   14    HB2  ASN   2           2HB      ASN   2  -1.210   4.856  -6.667
   15    HB3  ASN   2           1HB      ASN   2  -1.619   3.815  -5.307
   16   HD21  ASN   2          1HD2      ASN   2  -3.342   4.802  -7.394
   17   HD22  ASN   2          2HD2      ASN   2  -4.589   5.713  -6.620
   18    H    TRP   3           H        TRP   3  -1.002   7.202  -2.909
   19    HA   TRP   3           HA       TRP   3  -0.360   5.675  -0.656
   20    HB2  TRP   3           2HB      TRP   3  -1.640   7.423   0.610
   21    HB3  TRP   3           1HB      TRP   3  -0.409   8.061  -0.473
   22    HD1  TRP   3           HD       TRP   3  -1.272   9.348  -2.685
   23    HE1  TRP   3           1HE      TRP   3  -3.504  10.524  -3.201
   24    HE3  TRP   3           3HE      TRP   3  -4.139   7.323   1.035
   25    HZ2  TRP   3           2HZ      TRP   3  -6.130  10.587  -2.166
   26    HZ3  TRP   3           3HZ      TRP   3  -6.498   7.995   1.204
   27    HH2  TRP   3           HH       TRP   3  -7.472   9.594  -0.363
   28    H    ARG   4           H        ARG   4  -3.168   5.673  -2.613
   29    HA   ARG   4           HA       ARG   4  -5.072   4.805  -0.749
   30    HB2  ARG   4           2HB      ARG   4  -4.832   4.753  -3.698
   31    HB3  ARG   4           1HB      ARG   4  -5.985   3.641  -2.977
   32    HG2  ARG   4           2HG      ARG   4  -5.946   6.613  -2.492
   33    HG3  ARG   4           1HG      ARG   4  -6.979   5.799  -3.669
   34    HD2  ARG   4           2HD      ARG   4  -8.033   4.519  -1.892
   35    HD3  ARG   4           1HD      ARG   4  -6.965   5.260  -0.702
   36    HE   ARG   4           HE       ARG   4  -8.228   7.359  -1.932
   37   HH11  ARG   4          1HH1      ARG   4  -9.256   4.510  -0.183
   38   HH12  ARG   4          2HH1      ARG   4 -10.687   5.250   0.451
   39   HH21  ARG   4          1HH2      ARG   4 -10.122   8.351  -1.097
   40   HH22  ARG   4          2HH2      ARG   4 -11.180   7.444  -0.070
   41    H    CYS   5           H        CYS   5  -2.511   3.201  -2.291
   42    HA   CYS   5           HA       CYS   5  -3.358   0.533  -2.097
   43    HB2  CYS   5           2HB      CYS   5  -0.693   1.881  -2.194
   44    HB3  CYS   5           1HB      CYS   5  -0.773   0.157  -1.849
   45    H    CYS   6           H        CYS   6  -2.080   2.767   0.249
   46    HA   CYS   6           HA       CYS   6  -1.407   0.789   2.209
   47    HB2  CYS   6           2HB      CYS   6  -2.035   3.670   2.824
   48    HB3  CYS   6           1HB      CYS   6  -0.918   2.581   3.649
   49    H    LEU   7           H        LEU   7  -4.325   2.102   1.126
   50    HA   LEU   7           HA       LEU   7  -5.729   1.412   3.602
   51    HB2  LEU   7           2HB      LEU   7  -6.774   2.768   1.112
   52    HB3  LEU   7           1HB      LEU   7  -7.665   2.529   2.603
   53    HG   LEU   7           HG       LEU   7  -5.189   4.238   2.335
   54   HD11  LEU   7          1HD1      LEU   7  -7.058   5.197   1.112
   55   HD12  LEU   7          2HD1      LEU   7  -6.720   6.131   2.569
   56   HD13  LEU   7          3HD1      LEU   7  -8.093   5.025   2.530
   57   HD21  LEU   7          3HD2      LEU   7  -5.779   5.027   4.569
   58   HD22  LEU   7          1HD2      LEU   7  -5.483   3.288   4.568
   59   HD23  LEU   7          2HD2      LEU   7  -7.137   3.902   4.615
   60    H    ILE   8           H        ILE   8  -4.662  -0.036   0.926
   61    HA   ILE   8           HA       ILE   8  -6.936  -1.907   0.789
   62    HB   ILE   8           HB       ILE   8  -4.968  -1.289  -1.428
   63   HG12  ILE   8          2HG1      ILE   8  -7.908  -0.596  -1.307
   64   HG13  ILE   8          1HG1      ILE   8  -6.626   0.543  -0.912
   65   HG21  ILE   8          1HG2      ILE   8  -6.446  -2.662  -2.820
   66   HG22  ILE   8          2HG2      ILE   8  -7.435  -3.025  -1.405
   67   HG23  ILE   8          3HG2      ILE   8  -5.764  -3.586  -1.480
   68   HD11  ILE   8          3HD1      ILE   8  -5.751   0.349  -3.177
   69   HD12  ILE   8          1HD1      ILE   8  -7.437   0.868  -3.177
   70   HD13  ILE   8          2HD1      ILE   8  -7.028  -0.802  -3.573
   71    HA   PRO   9           HA       PRO   9  -3.838  -4.439   2.917
   72    HB2  PRO   9           2HB      PRO   9  -5.953  -6.418   2.179
   73    HB3  PRO   9           1HB      PRO   9  -5.104  -6.196   3.714
   74    HG2  PRO   9           2HG      PRO   9  -7.588  -5.307   3.419
   75    HG3  PRO   9           1HG      PRO   9  -6.386  -4.354   4.311
   76    HD2  PRO   9           2HD      PRO   9  -7.495  -3.928   1.578
   77    HD3  PRO   9           1HD      PRO   9  -6.969  -2.737   2.785
   78    H    ALA  10           H        ALA  10  -5.327  -5.143  -0.199
   79    HA   ALA  10           HA       ALA  10  -3.556  -7.252  -0.906
   80    HB1  ALA  10           1HB      ALA  10  -5.779  -7.005  -1.904
   81    HB2  ALA  10           2HB      ALA  10  -4.512  -7.057  -3.130
   82    HB3  ALA  10           3HB      ALA  10  -5.253  -5.518  -2.693
   83    H    CYS  11           H        CYS  11  -3.521  -3.751  -1.446
   84    HA   CYS  11           HA       CYS  11  -1.153  -3.996  -3.129
   85    HB2  CYS  11           2HB      CYS  11  -3.100  -2.334  -3.521
   86    HB3  CYS  11           1HB      CYS  11  -2.356  -1.387  -2.237
   87    H    ARG  12           H        ARG  12  -2.083  -2.929   0.081
   88    HA   ARG  12           HA       ARG  12   0.403  -1.745   0.772
   89    HB2  ARG  12           2HB      ARG  12  -1.887  -1.526   1.934
   90    HB3  ARG  12           1HB      ARG  12  -1.465  -3.016   2.752
   91    HG2  ARG  12           2HG      ARG  12   0.602  -1.921   3.581
   92    HG3  ARG  12           1HG      ARG  12   0.032  -0.411   2.870
   93    HD2  ARG  12           2HD      ARG  12  -1.965  -0.502   4.278
   94    HD3  ARG  12           1HD      ARG  12  -1.401  -2.016   4.984
   95    HE   ARG  12           HE       ARG  12   0.639  -0.482   5.595
   96   HH11  ARG  12          1HH1      ARG  12  -2.757   0.367   5.668
   97   HH12  ARG  12          2HH1      ARG  12  -2.589   1.451   7.013
   98   HH21  ARG  12          1HH2      ARG  12   0.879   0.970   7.338
   99   HH22  ARG  12          2HH2      ARG  12  -0.512   1.796   7.964
  100    H    ARG  13           H        ARG  13  -0.740  -4.967   0.596
  101    HA   ARG  13           HA       ARG  13   0.896  -6.324   2.380
  102    HB2  ARG  13           2HB      ARG  13  -0.990  -7.125   0.699
  103    HB3  ARG  13           1HB      ARG  13   0.393  -7.508  -0.315
  104    HG2  ARG  13           2HG      ARG  13  -0.184  -9.478   0.867
  105    HG3  ARG  13           1HG      ARG  13   1.302  -8.857   1.589
  106    HD2  ARG  13           2HD      ARG  13   0.090  -7.935   3.441
  107    HD3  ARG  13           1HD      ARG  13  -1.454  -8.317   2.682
  108    HE   ARG  13           HE       ARG  13   0.080 -10.668   3.021
  109   HH11  ARG  13          1HH1      ARG  13  -1.799  -8.350   4.839
  110   HH12  ARG  13          2HH1      ARG  13  -2.236  -9.474   6.081
  111   HH21  ARG  13          1HH2      ARG  13  -0.494 -12.170   4.657
  112   HH22  ARG  13          2HH2      ARG  13  -1.491 -11.654   5.977
  113    H    ASN  14           H        ASN  14   1.554  -5.326  -0.946
  114    HA   ASN  14           HA       ASN  14   4.285  -6.323  -0.792
  115    HB2  ASN  14           2HB      ASN  14   3.132  -6.727  -2.870
  116    HB3  ASN  14           1HB      ASN  14   2.699  -5.027  -3.018
  117   HD21  ASN  14          1HD2      ASN  14   5.283  -7.355  -3.252
  118   HD22  ASN  14          2HD2      ASN  14   6.364  -6.354  -4.150
  119    H    HIS  15           H        HIS  15   2.541  -3.411  -0.349
  120    HA   HIS  15           HA       HIS  15   5.006  -1.822  -0.579
  121    HB2  HIS  15           2HB      HIS  15   2.124  -0.904  -0.492
  122    HB3  HIS  15           1HB      HIS  15   3.524   0.156  -0.627
  123    HD1  HIS  15           1HD      HIS  15   5.019  -1.711  -2.761
  124    HD2  HIS  15           2HD      HIS  15   1.110  -0.321  -2.998
  125    HE1  HIS  15           1HE      HIS  15   4.438  -1.751  -5.203
  126    HE2  HIS  15           2HE      HIS  15   2.003  -1.117  -5.289
  127    H    LYS  16           H        LYS  16   4.680  -3.519   1.605
  128    HA   LYS  16           HA       LYS  16   3.630  -2.222   3.892
  129    HB2  LYS  16           2HB      LYS  16   5.456  -4.547   3.428
  130    HB3  LYS  16           1HB      LYS  16   5.296  -3.894   5.051
  131    HG2  LYS  16           2HG      LYS  16   2.947  -4.353   5.072
  132    HG3  LYS  16           1HG      LYS  16   2.979  -4.827   3.372
  133    HD2  LYS  16           2HD      LYS  16   2.933  -6.781   4.847
  134    HD3  LYS  16           1HD      LYS  16   4.428  -6.714   3.914
  135    HE2  LYS  16           2HE      LYS  16   5.469  -5.580   5.929
  136    HE3  LYS  16           1HE      LYS  16   4.015  -6.035   6.817
  137    HZ1  LYS  16           3HZ      LYS  16   5.825  -7.936   5.428
  138    HZ2  LYS  16           1HZ      LYS  16   4.474  -8.344   6.360
  139    HZ3  LYS  16           2HZ      LYS  16   5.824  -7.639   7.093
  140    H    LYS  17           H        LYS  17   6.651  -1.972   2.217
  141    HA   LYS  17           HA       LYS  17   8.042  -0.785   4.430
  142    HB2  LYS  17           2HB      LYS  17   8.710  -1.667   1.737
  143    HB3  LYS  17           1HB      LYS  17   9.489  -0.147   2.157
  144    HG2  LYS  17           2HG      LYS  17   9.657  -2.716   3.726
  145    HG3  LYS  17           1HG      LYS  17  10.920  -2.035   2.697
  146    HD2  LYS  17           2HD      LYS  17  11.093  -0.094   4.141
  147    HD3  LYS  17           1HD      LYS  17   9.757  -0.681   5.133
  148    HE2  LYS  17           2HE      LYS  17  11.108  -2.668   5.712
  149    HE3  LYS  17           1HE      LYS  17  12.450  -1.998   4.784
  150    HZ1  LYS  17           3HZ      LYS  17  12.706  -1.519   7.125
  151    HZ2  LYS  17           1HZ      LYS  17  11.196  -0.757   7.175
  152    HZ3  LYS  17           2HZ      LYS  17  12.455  -0.080   6.272
  153    H    PHE  18           H        PHE  18   6.090   0.310   1.833
  154    HA   PHE  18           HA       PHE  18   6.969   3.055   2.041
  155    HB2  PHE  18           2HB      PHE  18   4.670   1.802   0.520
  156    HB3  PHE  18           1HB      PHE  18   5.125   3.499   0.423
  157    HD1  PHE  18           2HD      PHE  18   7.352   4.107  -0.528
  158    HD2  PHE  18           1HD      PHE  18   5.773   0.163  -0.747
  159    HE1  PHE  18           2HE      PHE  18   8.932   3.580  -2.337
  160    HE2  PHE  18           1HE      PHE  18   7.350  -0.374  -2.558
  161    HZ   PHE  18           HZ       PHE  18   8.933   1.338  -3.354
  162    H    CYS  19           H        CYS  19   4.052   1.185   2.774
  163    HA   CYS  19           HA       CYS  19   2.970   3.457   4.255
  164    HB2  CYS  19           2HB      CYS  19   1.550   0.835   3.898
  165    HB3  CYS  19           1HB      CYS  19   0.873   2.439   4.128
  166    HN1  NH2  20           1H       CYS  19   5.007   2.831   5.645
  167    HN2  NH2  20           2H       CYS  19   4.646   1.855   7.025
  Start of MODEL   13
    1    H1   PHE   1           1HT      PHE   1   5.315   7.108  -4.798
    2    H2   PHE   1           2HT      PHE   1   4.086   7.652  -3.771
    3    H3   PHE   1           3HT      PHE   1   3.955   7.887  -5.438
    4    HA   PHE   1           HA       PHE   1   3.787   5.544  -5.822
    5    HB2  PHE   1           2HB      PHE   1   3.646   3.975  -3.945
    6    HB3  PHE   1           1HB      PHE   1   5.190   4.815  -3.926
    7    HD1  PHE   1           1HD      PHE   1   5.574   6.632  -2.258
    8    HD2  PHE   1           2HD      PHE   1   2.140   4.121  -2.134
    9    HE1  PHE   1           1HE      PHE   1   5.189   7.279   0.084
   10    HE2  PHE   1           2HE      PHE   1   1.749   4.766   0.207
   11    HZ   PHE   1           HZ       PHE   1   3.273   6.347   1.319
   12    H    ASN   2           H        ASN   2   1.752   4.186  -5.005
   13    HA   ASN   2           HA       ASN   2  -0.433   6.107  -4.972
   14    HB2  ASN   2           2HB      ASN   2  -0.282   4.059  -6.533
   15    HB3  ASN   2           1HB      ASN   2  -0.718   3.108  -5.117
   16   HD21  ASN   2          1HD2      ASN   2  -2.200   3.393  -7.547
   17   HD22  ASN   2          2HD2      ASN   2  -3.721   4.095  -7.135
   18    H    TRP   3           H        TRP   3  -0.727   6.849  -2.952
   19    HA   TRP   3           HA       TRP   3  -0.366   5.423  -0.578
   20    HB2  TRP   3           2HB      TRP   3  -1.764   7.263   0.450
   21    HB3  TRP   3           1HB      TRP   3  -0.361   7.797  -0.467
   22    HD1  TRP   3           HD       TRP   3  -0.827   9.060  -2.798
   23    HE1  TRP   3           1HE      TRP   3  -2.905  10.287  -3.688
   24    HE3  TRP   3           3HE      TRP   3  -4.314   7.234   0.468
   25    HZ2  TRP   3           2HZ      TRP   3  -5.656  10.461  -3.087
   26    HZ3  TRP   3           3HZ      TRP   3  -6.646   7.984   0.243
   27    HH2  TRP   3           HH       TRP   3  -7.302   9.565  -1.498
   28    H    ARG   4           H        ARG   4  -2.993   5.428  -2.791
   29    HA   ARG   4           HA       ARG   4  -5.055   4.650  -1.047
   30    HB2  ARG   4           2HB      ARG   4  -4.624   4.545  -3.978
   31    HB3  ARG   4           1HB      ARG   4  -5.865   3.496  -3.313
   32    HG2  ARG   4           2HG      ARG   4  -6.848   5.541  -2.219
   33    HG3  ARG   4           1HG      ARG   4  -5.718   6.495  -3.183
   34    HD2  ARG   4           2HD      ARG   4  -7.890   6.371  -4.274
   35    HD3  ARG   4           1HD      ARG   4  -6.662   5.543  -5.229
   36    HE   ARG   4           HE       ARG   4  -7.971   3.713  -3.514
   37   HH11  ARG   4          1HH1      ARG   4  -8.482   5.557  -6.440
   38   HH12  ARG   4          2HH1      ARG   4  -9.624   4.439  -7.106
   39   HH21  ARG   4          1HH2      ARG   4  -9.480   2.223  -4.382
   40   HH22  ARG   4          2HH2      ARG   4 -10.193   2.532  -5.931
   41    H    CYS   5           H        CYS   5  -2.458   2.967  -2.459
   42    HA   CYS   5           HA       CYS   5  -3.400   0.323  -2.241
   43    HB2  CYS   5           2HB      CYS   5  -0.697   1.593  -2.346
   44    HB3  CYS   5           1HB      CYS   5  -0.821  -0.114  -1.929
   45    H    CYS   6           H        CYS   6  -2.093   2.585   0.052
   46    HA   CYS   6           HA       CYS   6  -1.518   0.640   2.083
   47    HB2  CYS   6           2HB      CYS   6  -2.057   3.534   2.676
   48    HB3  CYS   6           1HB      CYS   6  -0.894   2.438   3.420
   49    H    LEU   7           H        LEU   7  -4.348   2.043   0.890
   50    HA   LEU   7           HA       LEU   7  -5.848   1.596   3.351
   51    HB2  LEU   7           2HB      LEU   7  -6.844   2.583   0.678
   52    HB3  LEU   7           1HB      LEU   7  -7.723   2.614   2.193
   53    HG   LEU   7           HG       LEU   7  -5.207   4.194   1.655
   54   HD11  LEU   7          1HD1      LEU   7  -8.088   5.083   1.646
   55   HD12  LEU   7          2HD1      LEU   7  -7.036   4.957   0.235
   56   HD13  LEU   7          3HD1      LEU   7  -6.680   6.135   1.499
   57   HD21  LEU   7          3HD2      LEU   7  -7.208   4.325   3.910
   58   HD22  LEU   7          1HD2      LEU   7  -5.815   5.385   3.697
   59   HD23  LEU   7          2HD2      LEU   7  -5.574   3.668   4.014
   60    H    ILE   8           H        ILE   8  -4.819  -0.063   0.701
   61    HA   ILE   8           HA       ILE   8  -7.053  -1.988   0.837
   62    HB   ILE   8           HB       ILE   8  -5.140  -1.593  -1.477
   63   HG12  ILE   8          2HG1      ILE   8  -8.059  -0.809  -1.358
   64   HG13  ILE   8          1HG1      ILE   8  -6.743   0.326  -1.071
   65   HG21  ILE   8          1HG2      ILE   8  -6.709  -3.039  -2.694
   66   HG22  ILE   8          2HG2      ILE   8  -7.655  -3.242  -1.220
   67   HG23  ILE   8          3HG2      ILE   8  -6.005  -3.859  -1.299
   68   HD11  ILE   8          3HD1      ILE   8  -7.212  -1.216  -3.613
   69   HD12  ILE   8          1HD1      ILE   8  -5.910  -0.063  -3.325
   70   HD13  ILE   8          2HD1      ILE   8  -7.584   0.486  -3.345
   71    HA   PRO   9           HA       PRO   9  -3.917  -4.342   3.099
   72    HB2  PRO   9           2HB      PRO   9  -5.981  -6.401   2.435
   73    HB3  PRO   9           1HB      PRO   9  -5.143  -6.099   3.963
   74    HG2  PRO   9           2HG      PRO   9  -7.643  -5.272   3.616
   75    HG3  PRO   9           1HG      PRO   9  -6.468  -4.264   4.480
   76    HD2  PRO   9           2HD      PRO   9  -7.578  -3.952   1.737
   77    HD3  PRO   9           1HD      PRO   9  -7.052  -2.712   2.891
   78    H    ALA  10           H        ALA  10  -5.396  -5.329   0.039
   79    HA   ALA  10           HA       ALA  10  -3.560  -7.398  -0.554
   80    HB1  ALA  10           1HB      ALA  10  -4.472  -7.318  -2.804
   81    HB2  ALA  10           2HB      ALA  10  -5.244  -5.772  -2.454
   82    HB3  ALA  10           3HB      ALA  10  -5.764  -7.229  -1.608
   83    H    CYS  11           H        CYS  11  -3.583  -3.934  -1.294
   84    HA   CYS  11           HA       CYS  11  -1.156  -4.218  -2.885
   85    HB2  CYS  11           2HB      CYS  11  -3.176  -2.623  -3.377
   86    HB3  CYS  11           1HB      CYS  11  -2.388  -1.568  -2.209
   87    H    ARG  12           H        ARG  12  -2.206  -3.074   0.242
   88    HA   ARG  12           HA       ARG  12   0.140  -1.691   0.991
   89    HB2  ARG  12           2HB      ARG  12  -2.072  -1.565   2.151
   90    HB3  ARG  12           1HB      ARG  12  -1.780  -3.163   2.799
   91    HG2  ARG  12           2HG      ARG  12   0.419  -2.093   3.705
   92    HG3  ARG  12           1HG      ARG  12  -0.466  -0.581   3.484
   93    HD2  ARG  12           2HD      ARG  12  -1.436  -2.948   5.085
   94    HD3  ARG  12           1HD      ARG  12  -0.696  -1.499   5.765
   95    HE   ARG  12           HE       ARG  12  -2.705  -0.404   4.447
   96   HH11  ARG  12          1HH1      ARG  12  -2.700  -3.280   6.443
   97   HH12  ARG  12          2HH1      ARG  12  -4.353  -3.102   6.926
   98   HH21  ARG  12          1HH2      ARG  12  -4.869  -0.160   5.069
   99   HH22  ARG  12          2HH2      ARG  12  -5.599  -1.314   6.140
  100    H    ARG  13           H        ARG  13  -0.794  -5.036   1.051
  101    HA   ARG  13           HA       ARG  13   1.194  -6.066   2.733
  102    HB2  ARG  13           2HB      ARG  13  -0.790  -7.333   1.984
  103    HB3  ARG  13           1HB      ARG  13  -0.130  -7.391   0.357
  104    HG2  ARG  13           2HG      ARG  13   1.808  -8.662   1.250
  105    HG3  ARG  13           1HG      ARG  13   1.002  -8.700   2.820
  106    HD2  ARG  13           2HD      ARG  13  -0.888  -9.881   1.839
  107    HD3  ARG  13           1HD      ARG  13  -0.129  -9.804   0.249
  108    HE   ARG  13           HE       ARG  13   1.136 -11.239   2.489
  109   HH11  ARG  13          1HH1      ARG  13  -0.087 -11.157  -0.785
  110   HH12  ARG  13          2HH1      ARG  13   0.521 -12.725  -1.196
  111   HH21  ARG  13          1HH2      ARG  13   1.944 -13.323   1.959
  112   HH22  ARG  13          2HH2      ARG  13   1.681 -13.962   0.370
  113    H    ASN  14           H        ASN  14   1.247  -5.203  -0.647
  114    HA   ASN  14           HA       ASN  14   3.916  -6.304  -1.020
  115    HB2  ASN  14           2HB      ASN  14   2.469  -6.654  -2.876
  116    HB3  ASN  14           1HB      ASN  14   1.931  -4.979  -2.868
  117   HD21  ASN  14          1HD2      ASN  14   4.533  -7.149  -3.692
  118   HD22  ASN  14          2HD2      ASN  14   5.364  -6.064  -4.746
  119    H    HIS  15           H        HIS  15   2.349  -3.269  -0.420
  120    HA   HIS  15           HA       HIS  15   4.903  -1.868  -0.878
  121    HB2  HIS  15           2HB      HIS  15   2.082  -0.779  -0.877
  122    HB3  HIS  15           1HB      HIS  15   3.530   0.216  -0.999
  123    HD1  HIS  15           1HD      HIS  15   5.137  -0.584  -3.150
  124    HD2  HIS  15           2HD      HIS  15   1.078  -1.452  -3.285
  125    HE1  HIS  15           1HE      HIS  15   4.620  -1.002  -5.572
  126    HE2  HIS  15           2HE      HIS  15   2.214  -1.744  -5.588
  127    H    LYS  16           H        LYS  16   4.405  -3.372   1.443
  128    HA   LYS  16           HA       LYS  16   3.548  -1.785   3.622
  129    HB2  LYS  16           2HB      LYS  16   4.760  -3.525   4.991
  130    HB3  LYS  16           1HB      LYS  16   3.546  -4.152   3.882
  131    HG2  LYS  16           2HG      LYS  16   5.323  -4.717   2.282
  132    HG3  LYS  16           1HG      LYS  16   6.524  -4.137   3.436
  133    HD2  LYS  16           2HD      LYS  16   5.821  -5.831   5.039
  134    HD3  LYS  16           1HD      LYS  16   4.579  -6.392   3.918
  135    HE2  LYS  16           2HE      LYS  16   6.302  -7.010   2.305
  136    HE3  LYS  16           1HE      LYS  16   7.551  -6.422   3.402
  137    HZ1  LYS  16           3HZ      LYS  16   7.296  -8.828   3.514
  138    HZ2  LYS  16           1HZ      LYS  16   5.678  -8.652   3.976
  139    HZ3  LYS  16           2HZ      LYS  16   6.912  -8.106   4.995
  140    H    LYS  17           H        LYS  17   6.396  -1.752   1.781
  141    HA   LYS  17           HA       LYS  17   8.077  -0.696   3.877
  142    HB2  LYS  17           2HB      LYS  17   8.467  -1.797   1.260
  143    HB3  LYS  17           1HB      LYS  17   9.246  -0.224   1.348
  144    HG2  LYS  17           2HG      LYS  17   9.712  -2.557   3.194
  145    HG3  LYS  17           1HG      LYS  17  10.813  -1.955   1.952
  146    HD2  LYS  17           2HD      LYS  17  11.094   0.123   3.138
  147    HD3  LYS  17           1HD      LYS  17   9.867  -0.340   4.318
  148    HE2  LYS  17           2HE      LYS  17  11.304  -2.242   4.994
  149    HE3  LYS  17           1HE      LYS  17  12.545  -1.657   3.886
  150    HZ1  LYS  17           3HZ      LYS  17  11.456  -0.163   6.211
  151    HZ2  LYS  17           1HZ      LYS  17  12.643   0.405   5.147
  152    HZ3  LYS  17           2HZ      LYS  17  12.965  -0.922   6.146
  153    H    PHE  18           H        PHE  18   5.954   0.475   1.472
  154    HA   PHE  18           HA       PHE  18   7.020   3.184   1.590
  155    HB2  PHE  18           2HB      PHE  18   4.687   2.022   0.046
  156    HB3  PHE  18           1HB      PHE  18   5.221   3.696  -0.055
  157    HD1  PHE  18           1HD      PHE  18   7.396   4.240  -1.077
  158    HD2  PHE  18           2HD      PHE  18   5.829   0.283  -1.099
  159    HE1  PHE  18           1HE      PHE  18   8.971   3.629  -2.867
  160    HE2  PHE  18           2HE      PHE  18   7.402  -0.335  -2.886
  161    HZ   PHE  18           HZ       PHE  18   8.975   1.339  -3.772
  162    H    CYS  19           H        CYS  19   4.120   1.363   2.448
  163    HA   CYS  19           HA       CYS  19   3.000   3.697   3.788
  164    HB2  CYS  19           2HB      CYS  19   1.727   0.970   3.722
  165    HB3  CYS  19           1HB      CYS  19   0.958   2.543   3.874
  166    HN1  NH2  20           1H       CYS  19   5.007   3.456   5.211
  167    HN2  NH2  20           2H       CYS  19   4.809   2.522   6.651
  Start of MODEL   14
    1    H1   PHE   1           1HT      PHE   1   2.749   7.517  -7.587
    2    H2   PHE   1           2HT      PHE   1   4.307   7.647  -6.941
    3    H3   PHE   1           3HT      PHE   1   3.025   8.502  -6.242
    4    HA   PHE   1           HA       PHE   1   3.247   5.554  -6.336
    5    HB2  PHE   1           2HB      PHE   1   4.921   6.466  -4.829
    6    HB3  PHE   1           1HB      PHE   1   3.731   7.529  -4.089
    7    HD1  PHE   1           2HD      PHE   1   4.427   3.913  -4.656
    8    HD2  PHE   1           1HD      PHE   1   2.676   6.871  -2.146
    9    HE1  PHE   1           2HE      PHE   1   3.935   2.189  -2.971
   10    HE2  PHE   1           1HE      PHE   1   2.184   5.153  -0.457
   11    HZ   PHE   1           HZ       PHE   1   2.813   2.808  -0.868
   12    H    ASN   2           H        ASN   2   1.460   4.468  -5.620
   13    HA   ASN   2           HA       ASN   2  -0.954   6.071  -5.280
   14    HB2  ASN   2           2HB      ASN   2  -1.000   4.228  -6.925
   15    HB3  ASN   2           1HB      ASN   2  -0.645   3.079  -5.637
   16   HD21  ASN   2          1HD2      ASN   2  -2.571   1.968  -6.091
   17   HD22  ASN   2          2HD2      ASN   2  -4.108   2.589  -5.604
   18    H    TRP   3           H        TRP   3  -0.740   6.802  -3.185
   19    HA   TRP   3           HA       TRP   3  -0.027   5.242  -0.968
   20    HB2  TRP   3           2HB      TRP   3  -1.074   7.058   0.383
   21    HB3  TRP   3           1HB      TRP   3   0.055   7.649  -0.829
   22    HD1  TRP   3           HD       TRP   3  -1.031   8.898  -2.995
   23    HE1  TRP   3           1HE      TRP   3  -3.245  10.185  -3.246
   24    HE3  TRP   3           3HE      TRP   3  -3.463   7.150   1.151
   25    HZ2  TRP   3           2HZ      TRP   3  -5.696  10.430  -1.867
   26    HZ3  TRP   3           3HZ      TRP   3  -5.737   7.964   1.615
   27    HH2  TRP   3           HH       TRP   3  -6.830   9.570   0.135
   28    H    ARG   4           H        ARG   4  -2.957   5.479  -2.727
   29    HA   ARG   4           HA       ARG   4  -4.778   4.669  -0.758
   30    HB2  ARG   4           2HB      ARG   4  -4.765   4.754  -3.713
   31    HB3  ARG   4           1HB      ARG   4  -5.934   3.682  -2.962
   32    HG2  ARG   4           2HG      ARG   4  -5.650   6.622  -2.367
   33    HG3  ARG   4           1HG      ARG   4  -6.852   5.914  -3.450
   34    HD2  ARG   4           2HD      ARG   4  -7.811   4.658  -1.612
   35    HD3  ARG   4           1HD      ARG   4  -6.565   5.257  -0.520
   36    HE   ARG   4           HE       ARG   4  -7.864   7.467  -1.611
   37   HH11  ARG   4          1HH1      ARG   4  -8.608   4.760   0.475
   38   HH12  ARG   4          2HH1      ARG   4  -9.828   5.608   1.365
   39   HH21  ARG   4          1HH2      ARG   4  -9.476   8.602  -0.437
   40   HH22  ARG   4          2HH2      ARG   4 -10.323   7.801   0.844
   41    H    CYS   5           H        CYS   5  -2.440   2.955  -2.519
   42    HA   CYS   5           HA       CYS   5  -3.449   0.345  -2.378
   43    HB2  CYS   5           2HB      CYS   5  -0.743   1.552  -2.597
   44    HB3  CYS   5           1HB      CYS   5  -0.832  -0.136  -2.110
   45    H    CYS   6           H        CYS   6  -1.877   2.388  -0.026
   46    HA   CYS   6           HA       CYS   6  -1.396   0.277   1.864
   47    HB2  CYS   6           2HB      CYS   6  -1.463   3.258   2.369
   48    HB3  CYS   6           1HB      CYS   6  -0.674   2.028   3.356
   49    H    LEU   7           H        LEU   7  -4.147   1.898   0.883
   50    HA   LEU   7           HA       LEU   7  -5.513   1.535   3.441
   51    HB2  LEU   7           2HB      LEU   7  -6.215   2.956   0.890
   52    HB3  LEU   7           1HB      LEU   7  -7.476   2.509   2.020
   53    HG   LEU   7           HG       LEU   7  -6.970   4.755   2.497
   54   HD11  LEU   7          1HD1      LEU   7  -6.029   4.703   4.753
   55   HD12  LEU   7          2HD1      LEU   7  -5.445   3.063   4.470
   56   HD13  LEU   7          3HD1      LEU   7  -7.178   3.391   4.494
   57   HD21  LEU   7          3HD2      LEU   7  -4.707   5.596   2.883
   58   HD22  LEU   7          1HD2      LEU   7  -4.879   4.922   1.262
   59   HD23  LEU   7          2HD2      LEU   7  -4.051   4.000   2.517
   60    H    ILE   8           H        ILE   8  -4.745  -0.124   0.729
   61    HA   ILE   8           HA       ILE   8  -7.127  -1.856   0.863
   62    HB   ILE   8           HB       ILE   8  -5.144  -1.630  -1.411
   63   HG12  ILE   8          2HG1      ILE   8  -7.987  -0.605  -1.337
   64   HG13  ILE   8          1HG1      ILE   8  -6.582   0.414  -1.040
   65   HG21  ILE   8          1HG2      ILE   8  -7.784  -3.074  -1.205
   66   HG22  ILE   8          2HG2      ILE   8  -6.186  -3.818  -1.265
   67   HG23  ILE   8          3HG2      ILE   8  -6.803  -2.938  -2.664
   68   HD11  ILE   8          3HD1      ILE   8  -7.385   0.632  -3.325
   69   HD12  ILE   8          1HD1      ILE   8  -7.152  -1.096  -3.580
   70   HD13  ILE   8          2HD1      ILE   8  -5.761  -0.055  -3.283
   71    HA   PRO   9           HA       PRO   9  -4.318  -4.570   3.104
   72    HB2  PRO   9           2HB      PRO   9  -6.499  -6.462   2.353
   73    HB3  PRO   9           1HB      PRO   9  -5.724  -6.200   3.919
   74    HG2  PRO   9           2HG      PRO   9  -8.144  -5.217   3.441
   75    HG3  PRO   9           1HG      PRO   9  -6.948  -4.273   4.351
   76    HD2  PRO   9           2HD      PRO   9  -7.862  -3.961   1.528
   77    HD3  PRO   9           1HD      PRO   9  -7.396  -2.720   2.709
   78    H    ALA  10           H        ALA  10  -5.558  -5.091  -0.120
   79    HA   ALA  10           HA       ALA  10  -3.884  -7.386  -0.623
   80    HB1  ALA  10           1HB      ALA  10  -4.788  -7.312  -2.875
   81    HB2  ALA  10           2HB      ALA  10  -5.526  -5.745  -2.545
   82    HB3  ALA  10           3HB      ALA  10  -6.081  -7.179  -1.682
   83    H    CYS  11           H        CYS  11  -3.742  -3.915  -1.261
   84    HA   CYS  11           HA       CYS  11  -1.346  -4.309  -2.903
   85    HB2  CYS  11           2HB      CYS  11  -3.317  -2.681  -3.464
   86    HB3  CYS  11           1HB      CYS  11  -2.526  -1.613  -2.311
   87    H    ARG  12           H        ARG  12  -2.337  -3.265   0.236
   88    HA   ARG  12           HA       ARG  12  -0.080  -1.751   0.970
   89    HB2  ARG  12           2HB      ARG  12  -2.237  -1.855   2.215
   90    HB3  ARG  12           1HB      ARG  12  -1.799  -3.453   2.772
   91    HG2  ARG  12           2HG      ARG  12   0.015  -2.629   4.043
   92    HG3  ARG  12           1HG      ARG  12  -0.091  -1.039   3.288
   93    HD2  ARG  12           2HD      ARG  12  -1.011  -1.038   5.558
   94    HD3  ARG  12           1HD      ARG  12  -2.235  -0.649   4.351
   95    HE   ARG  12           HE       ARG  12  -1.992  -3.348   5.509
   96   HH11  ARG  12          1HH1      ARG  12  -3.888  -0.537   4.642
   97   HH12  ARG  12          2HH1      ARG  12  -5.397  -1.240   5.136
   98   HH21  ARG  12          1HH2      ARG  12  -3.983  -4.285   6.169
   99   HH22  ARG  12          2HH2      ARG  12  -5.448  -3.376   6.010
  100    H    ARG  13           H        ARG  13  -0.678  -5.154   0.818
  101    HA   ARG  13           HA       ARG  13   1.371  -6.130   2.443
  102    HB2  ARG  13           2HB      ARG  13   0.093  -7.264  -0.040
  103    HB3  ARG  13           1HB      ARG  13   1.297  -8.147   0.886
  104    HG2  ARG  13           2HG      ARG  13  -0.134  -8.153   2.824
  105    HG3  ARG  13           1HG      ARG  13  -1.318  -7.144   1.988
  106    HD2  ARG  13           2HD      ARG  13  -1.673  -8.910   0.342
  107    HD3  ARG  13           1HD      ARG  13  -0.467  -9.913   1.144
  108    HE   ARG  13           HE       ARG  13  -2.444  -9.202   3.005
  109   HH11  ARG  13          1HH1      ARG  13  -2.038 -11.175   0.150
  110   HH12  ARG  13          2HH1      ARG  13  -3.252 -12.324   0.604
  111   HH21  ARG  13          1HH2      ARG  13  -4.055 -10.720   3.623
  112   HH22  ARG  13          2HH2      ARG  13  -4.404 -12.063   2.588
  113    H    ASN  14           H        ASN  14   1.454  -4.974  -0.865
  114    HA   ASN  14           HA       ASN  14   4.224  -5.784  -1.212
  115    HB2  ASN  14           2HB      ASN  14   2.834  -6.083  -3.131
  116    HB3  ASN  14           1HB      ASN  14   2.206  -4.444  -3.015
  117   HD21  ASN  14          1HD2      ASN  14   4.913  -6.418  -3.951
  118   HD22  ASN  14          2HD2      ASN  14   5.723  -5.211  -4.884
  119    H    HIS  15           H        HIS  15   2.422  -2.972  -0.323
  120    HA   HIS  15           HA       HIS  15   4.855  -1.338  -0.626
  121    HB2  HIS  15           2HB      HIS  15   1.977  -0.415  -0.514
  122    HB3  HIS  15           1HB      HIS  15   3.381   0.638  -0.654
  123    HD1  HIS  15           1HD      HIS  15   4.832   0.259  -2.929
  124    HD2  HIS  15           2HD      HIS  15   0.979  -1.290  -2.885
  125    HE1  HIS  15           1HE      HIS  15   4.245  -0.148  -5.336
  126    HE2  HIS  15           2HE      HIS  15   1.996  -1.280  -5.260
  127    H    LYS  16           H        LYS  16   4.104  -3.140   1.580
  128    HA   LYS  16           HA       LYS  16   3.374  -1.514   3.814
  129    HB2  LYS  16           2HB      LYS  16   3.273  -4.150   3.440
  130    HB3  LYS  16           1HB      LYS  16   4.851  -4.071   4.214
  131    HG2  LYS  16           2HG      LYS  16   3.386  -2.518   5.882
  132    HG3  LYS  16           1HG      LYS  16   2.172  -3.678   5.341
  133    HD2  LYS  16           2HD      LYS  16   3.193  -4.547   7.322
  134    HD3  LYS  16           1HD      LYS  16   3.756  -5.509   5.954
  135    HE2  LYS  16           2HE      LYS  16   5.552  -4.931   7.564
  136    HE3  LYS  16           1HE      LYS  16   5.859  -4.346   5.930
  137    HZ1  LYS  16           3HZ      LYS  16   4.643  -2.631   8.016
  138    HZ2  LYS  16           1HZ      LYS  16   5.346  -2.154   6.550
  139    HZ3  LYS  16           2HZ      LYS  16   6.316  -2.745   7.807
  140    H    LYS  17           H        LYS  17   6.173  -1.811   2.042
  141    HA   LYS  17           HA       LYS  17   8.062  -1.449   4.166
  142    HB2  LYS  17           2HB      LYS  17   8.282  -1.174   1.167
  143    HB3  LYS  17           1HB      LYS  17   9.634  -0.906   2.256
  144    HG2  LYS  17           2HG      LYS  17   9.515  -3.199   3.024
  145    HG3  LYS  17           1HG      LYS  17   8.088  -3.480   2.026
  146    HD2  LYS  17           2HD      LYS  17   9.412  -3.040   0.012
  147    HD3  LYS  17           1HD      LYS  17  10.839  -2.760   1.013
  148    HE2  LYS  17           2HE      LYS  17  10.727  -5.055   1.832
  149    HE3  LYS  17           1HE      LYS  17   9.280  -5.339   0.865
  150    HZ1  LYS  17           3HZ      LYS  17  10.565  -4.986  -1.132
  151    HZ2  LYS  17           1HZ      LYS  17  11.289  -6.196  -0.197
  152    HZ3  LYS  17           2HZ      LYS  17  11.953  -4.640  -0.228
  153    H    PHE  18           H        PHE  18   6.510   0.578   1.759
  154    HA   PHE  18           HA       PHE  18   7.753   2.989   2.684
  155    HB2  PHE  18           2HB      PHE  18   6.894   2.561   0.325
  156    HB3  PHE  18           1HB      PHE  18   5.270   2.747   0.974
  157    HD1  PHE  18           2HD      PHE  18   8.481   4.492   0.434
  158    HD2  PHE  18           1HD      PHE  18   4.344   4.876   1.350
  159    HE1  PHE  18           2HE      PHE  18   8.644   6.927   0.127
  160    HE2  PHE  18           1HE      PHE  18   4.499   7.313   1.043
  161    HZ   PHE  18           HZ       PHE  18   6.650   8.341   0.431
  162    H    CYS  19           H        CYS  19   4.563   1.488   2.919
  163    HA   CYS  19           HA       CYS  19   3.733   3.513   4.850
  164    HB2  CYS  19           2HB      CYS  19   2.204   1.300   3.471
  165    HB3  CYS  19           1HB      CYS  19   1.507   2.335   4.713
  166    HN1  NH2  20           1H       CYS  19   5.094   2.927   6.542
  167    HN2  NH2  20           2H       CYS  19   4.818   1.515   7.497
  Start of MODEL   15
    1    H1   PHE   1           1HT      PHE   1   4.769   6.545  -6.894
    2    H2   PHE   1           2HT      PHE   1   3.759   7.747  -6.256
    3    H3   PHE   1           3HT      PHE   1   3.253   6.836  -7.587
    4    HA   PHE   1           HA       PHE   1   3.077   4.871  -6.305
    5    HB2  PHE   1           2HB      PHE   1   4.995   5.181  -4.846
    6    HB3  PHE   1           1HB      PHE   1   4.244   6.580  -4.089
    7    HD1  PHE   1           1HD      PHE   1   3.596   2.951  -4.672
    8    HD2  PHE   1           2HD      PHE   1   3.184   6.295  -2.071
    9    HE1  PHE   1           1HE      PHE   1   2.611   1.491  -2.954
   10    HE2  PHE   1           2HE      PHE   1   2.198   4.840  -0.349
   11    HZ   PHE   1           HZ       PHE   1   1.910   2.434  -0.791
   12    H    ASN   2           H        ASN   2   1.112   4.401  -5.276
   13    HA   ASN   2           HA       ASN   2  -0.615   6.745  -4.860
   14    HB2  ASN   2           2HB      ASN   2  -1.170   4.991  -6.672
   15    HB3  ASN   2           1HB      ASN   2  -1.600   3.935  -5.330
   16   HD21  ASN   2          1HD2      ASN   2  -3.274   5.018  -7.441
   17   HD22  ASN   2          2HD2      ASN   2  -4.526   5.913  -6.657
   18    H    TRP   3           H        TRP   3  -0.859   7.213  -2.794
   19    HA   TRP   3           HA       TRP   3  -0.218   5.527  -0.655
   20    HB2  TRP   3           2HB      TRP   3  -1.178   7.242   0.778
   21    HB3  TRP   3           1HB      TRP   3  -0.231   7.987  -0.503
   22    HD1  TRP   3           HD       TRP   3  -1.717   9.092  -2.577
   23    HE1  TRP   3           1HE      TRP   3  -4.006  10.261  -2.481
   24    HE3  TRP   3           3HE      TRP   3  -3.349   7.313   1.929
   25    HZ2  TRP   3           2HZ      TRP   3  -6.215  10.408  -0.727
   26    HZ3  TRP   3           3HZ      TRP   3  -5.560   8.017   2.745
   27    HH2  TRP   3           HH       TRP   3  -6.962   9.534   1.443
   28    H    ARG   4           H        ARG   4  -3.044   5.697  -2.555
   29    HA   ARG   4           HA       ARG   4  -4.962   4.839  -0.698
   30    HB2  ARG   4           2HB      ARG   4  -4.746   4.849  -3.652
   31    HB3  ARG   4           1HB      ARG   4  -5.938   3.774  -2.940
   32    HG2  ARG   4           2HG      ARG   4  -6.575   5.970  -1.601
   33    HG3  ARG   4           1HG      ARG   4  -5.847   6.736  -3.017
   34    HD2  ARG   4           2HD      ARG   4  -8.229   6.482  -3.355
   35    HD3  ARG   4           1HD      ARG   4  -7.350   5.431  -4.466
   36    HE   ARG   4           HE       ARG   4  -8.484   4.394  -1.952
   37   HH11  ARG   4          1HH1      ARG   4  -8.187   4.288  -5.435
   38   HH12  ARG   4          2HH1      ARG   4  -9.057   2.801  -5.598
   39   HH21  ARG   4          1HH2      ARG   4  -9.643   2.426  -2.156
   40   HH22  ARG   4          2HH2      ARG   4  -9.891   1.739  -3.727
   41    H    CYS   5           H        CYS   5  -2.457   3.203  -2.299
   42    HA   CYS   5           HA       CYS   5  -3.367   0.550  -2.194
   43    HB2  CYS   5           2HB      CYS   5  -0.709   1.873  -2.306
   44    HB3  CYS   5           1HB      CYS   5  -0.750   0.174  -1.850
   45    H    CYS   6           H        CYS   6  -2.042   2.677   0.220
   46    HA   CYS   6           HA       CYS   6  -1.440   0.637   2.132
   47    HB2  CYS   6           2HB      CYS   6  -2.017   3.505   2.839
   48    HB3  CYS   6           1HB      CYS   6  -0.898   2.377   3.606
   49    H    LEU   7           H        LEU   7  -4.313   2.082   1.069
   50    HA   LEU   7           HA       LEU   7  -5.775   1.409   3.510
   51    HB2  LEU   7           2HB      LEU   7  -6.847   2.632   0.967
   52    HB3  LEU   7           1HB      LEU   7  -7.648   2.563   2.524
   53    HG   LEU   7           HG       LEU   7  -5.131   4.141   1.986
   54   HD11  LEU   7          1HD1      LEU   7  -6.578   6.111   2.016
   55   HD12  LEU   7          2HD1      LEU   7  -7.996   5.068   2.133
   56   HD13  LEU   7          3HD1      LEU   7  -6.988   5.027   0.686
   57   HD21  LEU   7          3HD2      LEU   7  -5.638   5.205   4.119
   58   HD22  LEU   7          1HD2      LEU   7  -5.429   3.465   4.319
   59   HD23  LEU   7          2HD2      LEU   7  -7.048   4.164   4.316
   60    H    ILE   8           H        ILE   8  -4.696  -0.087   0.842
   61    HA   ILE   8           HA       ILE   8  -6.979  -1.952   0.736
   62    HB   ILE   8           HB       ILE   8  -5.009  -1.397  -1.495
   63   HG12  ILE   8          2HG1      ILE   8  -7.927  -0.613  -1.378
   64   HG13  ILE   8          1HG1      ILE   8  -6.613   0.491  -0.983
   65   HG21  ILE   8          1HG2      ILE   8  -5.883  -3.668  -1.512
   66   HG22  ILE   8          2HG2      ILE   8  -6.544  -2.741  -2.859
   67   HG23  ILE   8          3HG2      ILE   8  -7.534  -3.049  -1.432
   68   HD11  ILE   8          3HD1      ILE   8  -7.045  -0.856  -3.640
   69   HD12  ILE   8          1HD1      ILE   8  -5.741   0.264  -3.246
   70   HD13  ILE   8          2HD1      ILE   8  -7.413   0.826  -3.252
   71    HA   PRO   9           HA       PRO   9  -3.914  -4.501   2.886
   72    HB2  PRO   9           2HB      PRO   9  -6.033  -6.460   2.097
   73    HB3  PRO   9           1HB      PRO   9  -5.193  -6.273   3.642
   74    HG2  PRO   9           2HG      PRO   9  -7.664  -5.355   3.351
   75    HG3  PRO   9           1HG      PRO   9  -6.456  -4.419   4.253
   76    HD2  PRO   9           2HD      PRO   9  -7.553  -3.964   1.521
   77    HD3  PRO   9           1HD      PRO   9  -7.023  -2.785   2.737
   78    H    ALA  10           H        ALA  10  -5.414  -5.271  -0.219
   79    HA   ALA  10           HA       ALA  10  -3.663  -7.362  -0.943
   80    HB1  ALA  10           1HB      ALA  10  -5.249  -5.531  -2.736
   81    HB2  ALA  10           2HB      ALA  10  -5.844  -7.017  -1.996
   82    HB3  ALA  10           3HB      ALA  10  -4.547  -7.084  -3.189
   83    H    CYS  11           H        CYS  11  -3.509  -3.864  -1.417
   84    HA   CYS  11           HA       CYS  11  -1.090  -4.117  -3.024
   85    HB2  CYS  11           2HB      CYS  11  -3.026  -2.412  -3.411
   86    HB3  CYS  11           1HB      CYS  11  -2.250  -1.494  -2.126
   87    H    ARG  12           H        ARG  12  -2.116  -2.919   0.141
   88    HA   ARG  12           HA       ARG  12   0.347  -1.814   0.945
   89    HB2  ARG  12           2HB      ARG  12  -2.027  -1.669   2.018
   90    HB3  ARG  12           1HB      ARG  12  -1.537  -3.111   2.886
   91    HG2  ARG  12           2HG      ARG  12   0.371  -0.868   2.941
   92    HG3  ARG  12           1HG      ARG  12  -1.150  -0.623   3.801
   93    HD2  ARG  12           2HD      ARG  12  -0.776  -2.584   5.134
   94    HD3  ARG  12           1HD      ARG  12   0.644  -3.014   4.182
   95    HE   ARG  12           HE       ARG  12   1.547  -0.787   5.074
   96   HH11  ARG  12          1HH1      ARG  12  -0.621  -2.884   6.842
   97   HH12  ARG  12          2HH1      ARG  12  -0.039  -2.396   8.398
   98   HH21  ARG  12          1HH2      ARG  12   2.325  -0.123   7.115
   99   HH22  ARG  12          2HH2      ARG  12   1.647  -0.821   8.555
  100    H    ARG  13           H        ARG  13  -0.812  -5.045   0.766
  101    HA   ARG  13           HA       ARG  13   0.873  -6.374   2.541
  102    HB2  ARG  13           2HB      ARG  13  -0.980  -7.511   1.527
  103    HB3  ARG  13           1HB      ARG  13  -0.345  -7.228  -0.083
  104    HG2  ARG  13           2HG      ARG  13   1.623  -8.676   0.595
  105    HG3  ARG  13           1HG      ARG  13   0.660  -9.132   2.004
  106    HD2  ARG  13           2HD      ARG  13   0.491 -10.692   0.038
  107    HD3  ARG  13           1HD      ARG  13  -1.045 -10.071   0.644
  108    HE   ARG  13           HE       ARG  13  -0.802  -8.379  -1.249
  109   HH11  ARG  13          1HH1      ARG  13   0.450 -11.642  -1.407
  110   HH12  ARG  13          2HH1      ARG  13   0.327 -11.747  -3.131
  111   HH21  ARG  13          1HH2      ARG  13  -0.965  -8.501  -3.522
  112   HH22  ARG  13          2HH2      ARG  13  -0.484  -9.951  -4.340
  113    H    ASN  14           H        ASN  14   1.422  -5.246  -0.719
  114    HA   ASN  14           HA       ASN  14   4.114  -6.391  -0.751
  115    HB2  ASN  14           2HB      ASN  14   3.066  -6.811  -2.800
  116    HB3  ASN  14           1HB      ASN  14   2.285  -5.235  -2.836
  117   HD21  ASN  14          1HD2      ASN  14   5.231  -6.992  -3.425
  118   HD22  ASN  14          2HD2      ASN  14   6.006  -5.764  -4.359
  119    H    HIS  15           H        HIS  15   2.450  -3.427  -0.265
  120    HA   HIS  15           HA       HIS  15   4.956  -1.916  -0.568
  121    HB2  HIS  15           2HB      HIS  15   2.085  -0.978  -0.611
  122    HB3  HIS  15           1HB      HIS  15   3.468   0.111  -0.598
  123    HD1  HIS  15           1HD      HIS  15   5.126  -0.169  -2.735
  124    HD2  HIS  15           2HD      HIS  15   1.337  -1.828  -3.085
  125    HE1  HIS  15           1HE      HIS  15   4.781  -0.541  -5.196
  126    HE2  HIS  15           2HE      HIS  15   2.564  -1.723  -5.355
  127    H    LYS  16           H        LYS  16   4.646  -3.495   1.684
  128    HA   LYS  16           HA       LYS  16   3.610  -2.150   3.932
  129    HB2  LYS  16           2HB      LYS  16   5.799  -4.220   3.704
  130    HB3  LYS  16           1HB      LYS  16   5.148  -3.654   5.235
  131    HG2  LYS  16           2HG      LYS  16   2.972  -4.531   4.687
  132    HG3  LYS  16           1HG      LYS  16   3.535  -4.998   3.079
  133    HD2  LYS  16           2HD      LYS  16   5.164  -6.523   4.115
  134    HD3  LYS  16           1HD      LYS  16   4.549  -6.079   5.709
  135    HE2  LYS  16           2HE      LYS  16   2.383  -6.994   5.172
  136    HE3  LYS  16           1HE      LYS  16   2.892  -7.320   3.517
  137    HZ1  LYS  16           3HZ      LYS  16   4.474  -8.922   4.326
  138    HZ2  LYS  16           1HZ      LYS  16   2.940  -9.303   4.930
  139    HZ3  LYS  16           2HZ      LYS  16   4.085  -8.567   5.933
  140    H    LYS  17           H        LYS  17   6.748  -2.083   2.371
  141    HA   LYS  17           HA       LYS  17   8.112  -0.621   4.362
  142    HB2  LYS  17           2HB      LYS  17   8.627  -1.049   1.426
  143    HB3  LYS  17           1HB      LYS  17   9.695  -0.081   2.430
  144    HG2  LYS  17           2HG      LYS  17  10.075  -2.033   3.878
  145    HG3  LYS  17           1HG      LYS  17   9.035  -2.993   2.825
  146    HD2  LYS  17           2HD      LYS  17  11.528  -1.578   1.889
  147    HD3  LYS  17           1HD      LYS  17  11.492  -3.263   2.409
  148    HE2  LYS  17           2HE      LYS  17   9.822  -3.734   0.652
  149    HE3  LYS  17           1HE      LYS  17   9.949  -2.060   0.112
  150    HZ1  LYS  17           3HZ      LYS  17  12.169  -4.035   0.140
  151    HZ2  LYS  17           1HZ      LYS  17  12.278  -2.434  -0.397
  152    HZ3  LYS  17           2HZ      LYS  17  11.310  -3.544  -1.230
  153    H    PHE  18           H        PHE  18   6.323   0.338   1.506
  154    HA   PHE  18           HA       PHE  18   6.975   3.093   1.640
  155    HB2  PHE  18           2HB      PHE  18   4.779   1.548   0.272
  156    HB3  PHE  18           1HB      PHE  18   4.848   3.305   0.202
  157    HD1  PHE  18           2HD      PHE  18   6.581   4.433  -1.046
  158    HD2  PHE  18           1HD      PHE  18   6.398   0.185  -0.892
  159    HE1  PHE  18           2HE      PHE  18   8.133   4.302  -2.949
  160    HE2  PHE  18           1HE      PHE  18   7.951   0.045  -2.796
  161    HZ   PHE  18           HZ       PHE  18   8.821   2.107  -3.826
  162    H    CYS  19           H        CYS  19   4.132   1.230   2.654
  163    HA   CYS  19           HA       CYS  19   3.113   3.569   4.070
  164    HB2  CYS  19           2HB      CYS  19   1.718   0.912   3.992
  165    HB3  CYS  19           1HB      CYS  19   1.031   2.525   4.127
  166    HN1  NH2  20           1H       CYS  19   5.098   3.275   5.462
  167    HN2  NH2  20           2H       CYS  19   4.925   2.284   6.866
  Start of MODEL   16
    1    H1   PHE   1           1HT      PHE   1   2.693   9.163  -5.555
    2    H2   PHE   1           2HT      PHE   1   2.837   8.200  -6.935
    3    H3   PHE   1           3HT      PHE   1   4.216   8.618  -6.051
    4    HA   PHE   1           HA       PHE   1   3.512   6.325  -5.655
    5    HB2  PHE   1           2HB      PHE   1   4.773   7.435  -3.917
    6    HB3  PHE   1           1HB      PHE   1   3.337   8.274  -3.344
    7    HD1  PHE   1           2HD      PHE   1   4.423   4.755  -3.980
    8    HD2  PHE   1           1HD      PHE   1   2.415   7.488  -1.411
    9    HE1  PHE   1           2HE      PHE   1   3.993   2.933  -2.385
   10    HE2  PHE   1           1HE      PHE   1   1.982   5.671   0.190
   11    HZ   PHE   1           HZ       PHE   1   2.769   3.391  -0.297
   12    H    ASN   2           H        ASN   2   1.895   4.883  -5.121
   13    HA   ASN   2           HA       ASN   2  -0.812   5.957  -5.206
   14    HB2  ASN   2           2HB      ASN   2  -0.036   4.006  -6.652
   15    HB3  ASN   2           1HB      ASN   2  -0.014   3.043  -5.179
   16   HD21  ASN   2          1HD2      ASN   2  -1.614   2.560  -7.476
   17   HD22  ASN   2          2HD2      ASN   2  -3.267   2.687  -6.993
   18    H    TRP   3           H        TRP   3  -0.754   6.865  -3.083
   19    HA   TRP   3           HA       TRP   3  -0.250   5.396  -0.745
   20    HB2  TRP   3           2HB      TRP   3  -1.570   7.218   0.397
   21    HB3  TRP   3           1HB      TRP   3  -0.238   7.781  -0.606
   22    HD1  TRP   3           HD       TRP   3  -0.880   9.059  -2.891
   23    HE1  TRP   3           1HE      TRP   3  -3.020  10.296  -3.605
   24    HE3  TRP   3           3HE      TRP   3  -4.105   7.201   0.618
   25    HZ2  TRP   3           2HZ      TRP   3  -5.713  10.467  -2.790
   26    HZ3  TRP   3           3HZ      TRP   3  -6.446   7.959   0.583
   27    HH2  TRP   3           HH       TRP   3  -7.231   9.558  -1.087
   28    H    ARG   4           H        ARG   4  -2.930   5.428  -2.860
   29    HA   ARG   4           HA       ARG   4  -4.959   4.645  -1.086
   30    HB2  ARG   4           2HB      ARG   4  -4.580   4.575  -4.025
   31    HB3  ARG   4           1HB      ARG   4  -5.812   3.519  -3.355
   32    HG2  ARG   4           2HG      ARG   4  -5.681   6.479  -2.837
   33    HG3  ARG   4           1HG      ARG   4  -6.639   5.741  -4.123
   34    HD2  ARG   4           2HD      ARG   4  -7.878   4.449  -2.460
   35    HD3  ARG   4           1HD      ARG   4  -6.914   5.174  -1.173
   36    HE   ARG   4           HE       ARG   4  -8.023   7.284  -2.540
   37   HH11  ARG   4          1HH1      ARG   4  -9.226   4.492  -0.818
   38   HH12  ARG   4          2HH1      ARG   4 -10.694   5.264  -0.317
   39   HH21  ARG   4          1HH2      ARG   4  -9.964   8.322  -1.885
   40   HH22  ARG   4          2HH2      ARG   4 -11.115   7.452  -0.928
   41    H    CYS   5           H        CYS   5  -2.399   2.965  -2.583
   42    HA   CYS   5           HA       CYS   5  -3.324   0.322  -2.349
   43    HB2  CYS   5           2HB      CYS   5  -0.660   1.625  -2.551
   44    HB3  CYS   5           1HB      CYS   5  -0.704  -0.047  -2.004
   45    H    CYS   6           H        CYS   6  -1.962   2.573  -0.071
   46    HA   CYS   6           HA       CYS   6  -1.368   0.624   1.947
   47    HB2  CYS   6           2HB      CYS   6  -1.846   3.539   2.509
   48    HB3  CYS   6           1HB      CYS   6  -0.737   2.421   3.304
   49    H    LEU   7           H        LEU   7  -4.216   2.026   0.821
   50    HA   LEU   7           HA       LEU   7  -5.645   1.585   3.329
   51    HB2  LEU   7           2HB      LEU   7  -6.622   2.711   0.703
   52    HB3  LEU   7           1HB      LEU   7  -7.560   2.620   2.181
   53    HG   LEU   7           HG       LEU   7  -5.068   4.280   1.786
   54   HD11  LEU   7          1HD1      LEU   7  -6.579   6.187   1.895
   55   HD12  LEU   7          2HD1      LEU   7  -7.961   5.097   2.008
   56   HD13  LEU   7          3HD1      LEU   7  -6.985   5.134   0.540
   57   HD21  LEU   7          3HD2      LEU   7  -5.319   3.495   4.089
   58   HD22  LEU   7          1HD2      LEU   7  -6.967   4.123   4.125
   59   HD23  LEU   7          2HD2      LEU   7  -5.604   5.231   3.967
   60    H    ILE   8           H        ILE   8  -4.716  -0.063   0.651
   61    HA   ILE   8           HA       ILE   8  -7.019  -1.901   0.761
   62    HB   ILE   8           HB       ILE   8  -5.033  -1.577  -1.501
   63   HG12  ILE   8          2HG1      ILE   8  -7.934  -0.729  -1.457
   64   HG13  ILE   8          1HG1      ILE   8  -6.601   0.377  -1.141
   65   HG21  ILE   8          1HG2      ILE   8  -5.958  -3.826  -1.340
   66   HG22  ILE   8          2HG2      ILE   8  -6.595  -2.992  -2.759
   67   HG23  ILE   8          3HG2      ILE   8  -7.593  -3.165  -1.316
   68   HD11  ILE   8          3HD1      ILE   8  -7.063  -1.160  -3.686
   69   HD12  ILE   8          1HD1      ILE   8  -5.718  -0.062  -3.377
   70   HD13  ILE   8          2HD1      ILE   8  -7.369   0.559  -3.432
   71    HA   PRO   9           HA       PRO   9  -4.080  -4.440   3.043
   72    HB2  PRO   9           2HB      PRO   9  -6.195  -6.430   2.349
   73    HB3  PRO   9           1HB      PRO   9  -5.412  -6.113   3.902
   74    HG2  PRO   9           2HG      PRO   9  -7.870  -5.230   3.446
   75    HG3  PRO   9           1HG      PRO   9  -6.698  -4.219   4.312
   76    HD2  PRO   9           2HD      PRO   9  -7.660  -4.017   1.493
   77    HD3  PRO   9           1HD      PRO   9  -7.242  -2.727   2.639
   78    H    ALA  10           H        ALA  10  -5.475  -5.241  -0.086
   79    HA   ALA  10           HA       ALA  10  -3.737  -7.428  -0.632
   80    HB1  ALA  10           1HB      ALA  10  -5.918  -7.182  -1.716
   81    HB2  ALA  10           2HB      ALA  10  -4.612  -7.320  -2.894
   82    HB3  ALA  10           3HB      ALA  10  -5.334  -5.746  -2.557
   83    H    CYS  11           H        CYS  11  -3.552  -3.960  -1.222
   84    HA   CYS  11           HA       CYS  11  -1.133  -4.340  -2.825
   85    HB2  CYS  11           2HB      CYS  11  -3.074  -2.692  -3.399
   86    HB3  CYS  11           1HB      CYS  11  -2.313  -1.651  -2.200
   87    H    ARG  12           H        ARG  12  -2.219  -2.974   0.231
   88    HA   ARG  12           HA       ARG  12   0.152  -1.690   1.006
   89    HB2  ARG  12           2HB      ARG  12  -2.058  -1.468   2.130
   90    HB3  ARG  12           1HB      ARG  12  -1.852  -3.076   2.792
   91    HG2  ARG  12           2HG      ARG  12   0.088  -2.355   4.043
   92    HG3  ARG  12           1HG      ARG  12  -0.025  -0.745   3.330
   93    HD2  ARG  12           2HD      ARG  12  -0.967  -0.777   5.579
   94    HD3  ARG  12           1HD      ARG  12  -2.206  -0.427   4.375
   95    HE   ARG  12           HE       ARG  12  -1.859  -3.117   5.534
   96   HH11  ARG  12          1HH1      ARG  12  -3.879  -0.400   4.629
   97   HH12  ARG  12          2HH1      ARG  12  -5.358  -1.177   5.105
   98   HH21  ARG  12          1HH2      ARG  12  -3.810  -4.148   6.162
   99   HH22  ARG  12          2HH2      ARG  12  -5.315  -3.312   5.981
  100    H    ARG  13           H        ARG  13  -0.881  -5.002   1.187
  101    HA   ARG  13           HA       ARG  13   1.027  -6.074   2.905
  102    HB2  ARG  13           2HB      ARG  13  -0.881  -7.352   2.191
  103    HB3  ARG  13           1HB      ARG  13  -0.374  -7.267   0.512
  104    HG2  ARG  13           2HG      ARG  13   1.648  -8.597   1.146
  105    HG3  ARG  13           1HG      ARG  13   0.920  -8.818   2.740
  106    HD2  ARG  13           2HD      ARG  13   0.524 -10.688   1.098
  107    HD3  ARG  13           1HD      ARG  13  -0.925  -9.999   1.833
  108    HE   ARG  13           HE       ARG  13  -0.123  -8.916  -0.747
  109   HH11  ARG  13          1HH1      ARG  13  -2.203 -11.111   1.019
  110   HH12  ARG  13          2HH1      ARG  13  -3.375 -11.231  -0.250
  111   HH21  ARG  13          1HH2      ARG  13  -1.675  -9.052  -2.424
  112   HH22  ARG  13          2HH2      ARG  13  -3.071 -10.059  -2.219
  113    H    ASN  14           H        ASN  14   1.230  -5.279  -0.498
  114    HA   ASN  14           HA       ASN  14   3.887  -6.443  -0.742
  115    HB2  ASN  14           2HB      ASN  14   2.621  -6.822  -2.678
  116    HB3  ASN  14           1HB      ASN  14   1.933  -5.204  -2.662
  117   HD21  ASN  14          1HD2      ASN  14   4.761  -7.106  -3.429
  118   HD22  ASN  14          2HD2      ASN  14   5.501  -5.937  -4.461
  119    H    HIS  15           H        HIS  15   2.387  -3.381  -0.197
  120    HA   HIS  15           HA       HIS  15   4.962  -2.019  -0.629
  121    HB2  HIS  15           2HB      HIS  15   2.157  -0.892  -0.563
  122    HB3  HIS  15           1HB      HIS  15   3.616   0.088  -0.677
  123    HD1  HIS  15           1HD      HIS  15   5.036  -0.215  -2.920
  124    HD2  HIS  15           2HD      HIS  15   1.252  -1.926  -2.931
  125    HE1  HIS  15           1HE      HIS  15   4.514  -0.679  -5.333
  126    HE2  HIS  15           2HE      HIS  15   2.312  -1.899  -5.284
  127    H    LYS  16           H        LYS  16   4.511  -3.561   1.686
  128    HA   LYS  16           HA       LYS  16   3.645  -2.039   3.899
  129    HB2  LYS  16           2HB      LYS  16   5.328  -4.496   3.576
  130    HB3  LYS  16           1HB      LYS  16   5.192  -3.731   5.153
  131    HG2  LYS  16           2HG      LYS  16   2.799  -4.032   5.138
  132    HG3  LYS  16           1HG      LYS  16   2.866  -4.693   3.502
  133    HD2  LYS  16           2HD      LYS  16   2.674  -6.478   5.154
  134    HD3  LYS  16           1HD      LYS  16   4.224  -6.562   4.315
  135    HE2  LYS  16           2HE      LYS  16   5.253  -5.351   6.231
  136    HE3  LYS  16           1HE      LYS  16   3.708  -5.457   7.075
  137    HZ1  LYS  16           3HZ      LYS  16   5.203  -7.220   7.759
  138    HZ2  LYS  16           1HZ      LYS  16   5.345  -7.761   6.163
  139    HZ3  LYS  16           2HZ      LYS  16   3.860  -7.869   6.962
  140    H    LYS  17           H        LYS  17   6.577  -2.030   2.107
  141    HA   LYS  17           HA       LYS  17   8.199  -0.880   4.176
  142    HB2  LYS  17           2HB      LYS  17   8.867  -2.240   2.018
  143    HB3  LYS  17           1HB      LYS  17   8.893  -0.648   1.286
  144    HG2  LYS  17           2HG      LYS  17  10.503   0.100   2.975
  145    HG3  LYS  17           1HG      LYS  17  10.507  -1.521   3.671
  146    HD2  LYS  17           2HD      LYS  17  11.491  -2.452   1.726
  147    HD3  LYS  17           1HD      LYS  17  11.207  -0.980   0.795
  148    HE2  LYS  17           2HE      LYS  17  13.559  -1.209   1.465
  149    HE3  LYS  17           1HE      LYS  17  12.808   0.227   2.158
  150    HZ1  LYS  17           3HZ      LYS  17  14.178  -0.975   3.765
  151    HZ2  LYS  17           1HZ      LYS  17  13.203  -2.346   3.588
  152    HZ3  LYS  17           2HZ      LYS  17  12.557  -0.927   4.246
  153    H    PHE  18           H        PHE  18   6.303   0.243   1.507
  154    HA   PHE  18           HA       PHE  18   7.216   2.969   1.730
  155    HB2  PHE  18           2HB      PHE  18   4.933   1.785   0.136
  156    HB3  PHE  18           1HB      PHE  18   5.520   3.439  -0.002
  157    HD1  PHE  18           2HD      PHE  18   7.812   3.854  -0.877
  158    HD2  PHE  18           1HD      PHE  18   6.000   0.007  -0.980
  159    HE1  PHE  18           2HE      PHE  18   9.443   3.136  -2.574
  160    HE2  PHE  18           1HE      PHE  18   7.626  -0.720  -2.677
  161    HZ   PHE  18           HZ       PHE  18   9.350   0.846  -3.476
  162    H    CYS  19           H        CYS  19   4.281   1.148   2.504
  163    HA   CYS  19           HA       CYS  19   3.143   3.514   3.783
  164    HB2  CYS  19           2HB      CYS  19   1.808   0.819   3.667
  165    HB3  CYS  19           1HB      CYS  19   1.074   2.410   3.796
  166    HN1  NH2  20           1H       CYS  19   5.154   3.147   5.239
  167    HN2  NH2  20           2H       CYS  19   4.857   2.250   6.687
  Start of MODEL   17
    1    H1   PHE   1           1HT      PHE   1   3.929   5.823  -6.909
    2    H2   PHE   1           2HT      PHE   1   5.286   6.391  -6.075
    3    H3   PHE   1           3HT      PHE   1   3.977   7.423  -6.366
    4    HA   PHE   1           HA       PHE   1   3.868   4.991  -4.687
    5    HB2  PHE   1           2HB      PHE   1   5.249   6.672  -3.604
    6    HB3  PHE   1           1HB      PHE   1   4.063   7.924  -3.950
    7    HD1  PHE   1           1HD      PHE   1   4.317   4.646  -2.183
    8    HD2  PHE   1           2HD      PHE   1   2.619   8.547  -2.279
    9    HE1  PHE   1           1HE      PHE   1   3.246   4.230  -0.007
   10    HE2  PHE   1           2HE      PHE   1   1.548   8.138  -0.102
   11    HZ   PHE   1           HZ       PHE   1   1.860   5.978   1.036
   12    H    ASN   2           H        ASN   2   1.843   4.564  -3.812
   13    HA   ASN   2           HA       ASN   2  -0.366   6.316  -4.613
   14    HB2  ASN   2           2HB      ASN   2  -0.093   4.337  -6.211
   15    HB3  ASN   2           1HB      ASN   2  -0.549   3.310  -4.855
   16   HD21  ASN   2          1HD2      ASN   2  -1.949   3.603  -7.324
   17   HD22  ASN   2          2HD2      ASN   2  -3.513   4.235  -6.954
   18    H    TRP   3           H        TRP   3  -0.883   7.016  -2.632
   19    HA   TRP   3           HA       TRP   3  -0.674   5.585  -0.248
   20    HB2  TRP   3           2HB      TRP   3  -2.185   7.355   0.689
   21    HB3  TRP   3           1HB      TRP   3  -0.779   7.972  -0.170
   22    HD1  TRP   3           HD       TRP   3  -1.253   9.047  -2.647
   23    HE1  TRP   3           1HE      TRP   3  -3.351  10.212  -3.573
   24    HE3  TRP   3           3HE      TRP   3  -4.676   7.400   0.777
   25    HZ2  TRP   3           2HZ      TRP   3  -6.094  10.412  -2.934
   26    HZ3  TRP   3           3HZ      TRP   3  -7.015   8.129   0.550
   27    HH2  TRP   3           HH       TRP   3  -7.708   9.604  -1.269
   28    H    ARG   4           H        ARG   4  -3.127   5.528  -2.663
   29    HA   ARG   4           HA       ARG   4  -5.268   4.630  -1.081
   30    HB2  ARG   4           2HB      ARG   4  -4.640   4.585  -3.984
   31    HB3  ARG   4           1HB      ARG   4  -5.915   3.522  -3.410
   32    HG2  ARG   4           2HG      ARG   4  -5.836   6.497  -2.947
   33    HG3  ARG   4           1HG      ARG   4  -6.732   5.703  -4.244
   34    HD2  ARG   4           2HD      ARG   4  -8.038   4.467  -2.586
   35    HD3  ARG   4           1HD      ARG   4  -7.134   5.248  -1.289
   36    HE   ARG   4           HE       ARG   4  -8.217   7.272  -2.841
   37   HH11  ARG   4          1HH1      ARG   4  -9.390   4.638  -0.863
   38   HH12  ARG   4          2HH1      ARG   4 -10.853   5.450  -0.415
   39   HH21  ARG   4          1HH2      ARG   4 -10.151   8.356  -2.257
   40   HH22  ARG   4          2HH2      ARG   4 -11.287   7.573  -1.212
   41    H    CYS   5           H        CYS   5  -2.561   3.061  -2.461
   42    HA   CYS   5           HA       CYS   5  -3.445   0.383  -2.245
   43    HB2  CYS   5           2HB      CYS   5  -0.795   1.735  -2.449
   44    HB3  CYS   5           1HB      CYS   5  -0.838   0.036  -1.993
   45    H    CYS   6           H        CYS   6  -2.178   2.702  -0.006
   46    HA   CYS   6           HA       CYS   6  -1.460   0.791   2.017
   47    HB2  CYS   6           2HB      CYS   6  -2.059   3.682   2.577
   48    HB3  CYS   6           1HB      CYS   6  -0.879   2.619   3.344
   49    H    LEU   7           H        LEU   7  -4.362   2.089   0.895
   50    HA   LEU   7           HA       LEU   7  -5.767   1.578   3.410
   51    HB2  LEU   7           2HB      LEU   7  -6.841   2.688   0.813
   52    HB3  LEU   7           1HB      LEU   7  -7.696   2.616   2.341
   53    HG   LEU   7           HG       LEU   7  -5.221   4.271   1.833
   54   HD11  LEU   7          1HD1      LEU   7  -8.114   5.100   2.012
   55   HD12  LEU   7          2HD1      LEU   7  -7.123   5.094   0.553
   56   HD13  LEU   7          3HD1      LEU   7  -6.732   6.188   1.880
   57   HD21  LEU   7          3HD2      LEU   7  -5.463   3.579   4.161
   58   HD22  LEU   7          1HD2      LEU   7  -7.118   4.191   4.178
   59   HD23  LEU   7          2HD2      LEU   7  -5.767   5.307   3.978
   60    H    ILE   8           H        ILE   8  -4.734  -0.054   0.794
   61    HA   ILE   8           HA       ILE   8  -6.977  -1.964   0.884
   62    HB   ILE   8           HB       ILE   8  -5.133  -1.430  -1.456
   63   HG12  ILE   8          2HG1      ILE   8  -6.776   0.376  -1.113
   64   HG13  ILE   8          1HG1      ILE   8  -7.103  -0.526  -2.589
   65   HG21  ILE   8          1HG2      ILE   8  -5.800  -3.764  -1.331
   66   HG22  ILE   8          2HG2      ILE   8  -6.586  -2.966  -2.693
   67   HG23  ILE   8          3HG2      ILE   8  -7.495  -3.290  -1.218
   68   HD11  ILE   8          3HD1      ILE   8  -8.551  -0.841   0.033
   69   HD12  ILE   8          1HD1      ILE   8  -8.882  -1.747  -1.444
   70   HD13  ILE   8          2HD1      ILE   8  -9.152  -0.005  -1.399
   71    HA   PRO   9           HA       PRO   9  -3.731  -4.309   2.996
   72    HB2  PRO   9           2HB      PRO   9  -5.291  -6.648   2.848
   73    HB3  PRO   9           1HB      PRO   9  -5.194  -5.527   4.206
   74    HG2  PRO   9           2HG      PRO   9  -7.229  -5.714   2.045
   75    HG3  PRO   9           1HG      PRO   9  -7.428  -5.247   3.743
   76    HD2  PRO   9           2HD      PRO   9  -7.469  -3.424   1.791
   77    HD3  PRO   9           1HD      PRO   9  -6.708  -3.071   3.356
   78    H    ALA  10           H        ALA  10  -5.366  -5.259   0.027
   79    HA   ALA  10           HA       ALA  10  -3.611  -7.372  -0.660
   80    HB1  ALA  10           1HB      ALA  10  -5.855  -7.154  -1.609
   81    HB2  ALA  10           2HB      ALA  10  -4.624  -7.250  -2.868
   82    HB3  ALA  10           3HB      ALA  10  -5.351  -5.695  -2.463
   83    H    CYS  11           H        CYS  11  -3.578  -3.899  -1.339
   84    HA   CYS  11           HA       CYS  11  -1.236  -4.225  -3.047
   85    HB2  CYS  11           2HB      CYS  11  -3.179  -2.574  -3.506
   86    HB3  CYS  11           1HB      CYS  11  -2.429  -1.572  -2.267
   87    H    ARG  12           H        ARG  12  -2.133  -3.014   0.124
   88    HA   ARG  12           HA       ARG  12   0.349  -1.776   0.714
   89    HB2  ARG  12           2HB      ARG  12  -1.934  -1.539   1.912
   90    HB3  ARG  12           1HB      ARG  12  -1.433  -2.953   2.820
   91    HG2  ARG  12           2HG      ARG  12   0.622  -1.746   3.491
   92    HG3  ARG  12           1HG      ARG  12  -0.005  -0.308   2.684
   93    HD2  ARG  12           2HD      ARG  12  -1.943  -0.317   4.173
   94    HD3  ARG  12           1HD      ARG  12  -1.324  -1.763   4.973
   95    HE   ARG  12           HE       ARG  12   0.710  -0.188   5.397
   96   HH11  ARG  12          1HH1      ARG  12  -2.672   0.718   5.466
   97   HH12  ARG  12          2HH1      ARG  12  -2.449   1.945   6.671
   98   HH21  ARG  12          1HH2      ARG  12   1.021   1.453   6.951
   99   HH22  ARG  12          2HH2      ARG  12  -0.341   2.368   7.516
  100    H    ARG  13           H        ARG  13  -0.764  -5.044   0.818
  101    HA   ARG  13           HA       ARG  13   1.023  -6.175   2.627
  102    HB2  ARG  13           2HB      ARG  13  -0.849  -7.413   1.620
  103    HB3  ARG  13           1HB      ARG  13  -0.030  -7.392   0.065
  104    HG2  ARG  13           2HG      ARG  13   0.237  -9.544   1.130
  105    HG3  ARG  13           1HG      ARG  13   1.795  -8.723   1.020
  106    HD2  ARG  13           2HD      ARG  13   1.355  -7.917   3.395
  107    HD3  ARG  13           1HD      ARG  13   0.050  -9.100   3.439
  108    HE   ARG  13           HE       ARG  13   2.638 -10.133   2.654
  109   HH11  ARG  13          1HH1      ARG  13   0.393  -9.567   5.275
  110   HH12  ARG  13          2HH1      ARG  13   1.099 -10.757   6.317
  111   HH21  ARG  13          1HH2      ARG  13   3.583 -11.712   4.022
  112   HH22  ARG  13          2HH2      ARG  13   2.921 -11.983   5.601
  113    H    ASN  14           H        ASN  14   1.440  -5.502  -0.826
  114    HA   ASN  14           HA       ASN  14   4.245  -6.328  -0.657
  115    HB2  ASN  14           2HB      ASN  14   2.692  -7.071  -2.549
  116    HB3  ASN  14           1HB      ASN  14   2.780  -5.414  -3.135
  117   HD21  ASN  14          1HD2      ASN  14   3.728  -6.198  -5.059
  118   HD22  ASN  14          2HD2      ASN  14   5.392  -6.659  -5.110
  119    H    HIS  15           H        HIS  15   2.700  -3.713   0.198
  120    HA   HIS  15           HA       HIS  15   4.826  -1.902  -0.732
  121    HB2  HIS  15           2HB      HIS  15   1.862  -1.314  -0.602
  122    HB3  HIS  15           1HB      HIS  15   3.081  -0.051  -0.684
  123    HD1  HIS  15           1HD      HIS  15   4.455  -2.491  -2.800
  124    HD2  HIS  15           2HD      HIS  15   1.203   0.081  -3.146
  125    HE1  HIS  15           1HE      HIS  15   4.013  -2.287  -5.267
  126    HE2  HIS  15           2HE      HIS  15   1.902  -0.917  -5.425
  127    H    LYS  16           H        LYS  16   4.412  -3.499   1.682
  128    HA   LYS  16           HA       LYS  16   3.559  -1.844   3.821
  129    HB2  LYS  16           2HB      LYS  16   3.848  -4.428   3.717
  130    HB3  LYS  16           1HB      LYS  16   5.514  -4.095   4.171
  131    HG2  LYS  16           2HG      LYS  16   4.227  -2.626   6.020
  132    HG3  LYS  16           1HG      LYS  16   3.042  -3.906   5.759
  133    HD2  LYS  16           2HD      LYS  16   4.486  -4.577   7.548
  134    HD3  LYS  16           1HD      LYS  16   4.861  -5.571   6.138
  135    HE2  LYS  16           2HE      LYS  16   6.885  -4.798   7.312
  136    HE3  LYS  16           1HE      LYS  16   6.803  -4.212   5.652
  137    HZ1  LYS  16           3HZ      LYS  16   5.927  -2.595   7.978
  138    HZ2  LYS  16           1HZ      LYS  16   6.189  -2.064   6.391
  139    HZ3  LYS  16           2HZ      LYS  16   7.497  -2.535   7.358
  140    H    LYS  17           H        LYS  17   6.268  -1.673   1.905
  141    HA   LYS  17           HA       LYS  17   8.057  -0.682   3.953
  142    HB2  LYS  17           2HB      LYS  17   8.311  -1.027   0.971
  143    HB3  LYS  17           1HB      LYS  17   9.539  -0.210   1.924
  144    HG2  LYS  17           2HG      LYS  17   9.885  -2.237   3.234
  145    HG3  LYS  17           1HG      LYS  17   8.631  -3.057   2.301
  146    HD2  LYS  17           2HD      LYS  17   9.947  -2.784   0.268
  147    HD3  LYS  17           1HD      LYS  17  11.188  -1.915   1.174
  148    HE2  LYS  17           2HE      LYS  17  11.605  -3.908   2.522
  149    HE3  LYS  17           1HE      LYS  17  10.351  -4.776   1.637
  150    HZ1  LYS  17           3HZ      LYS  17  11.647  -4.519  -0.384
  151    HZ2  LYS  17           1HZ      LYS  17  12.553  -5.311   0.806
  152    HZ3  LYS  17           2HZ      LYS  17  12.849  -3.681   0.461
  153    H    PHE  18           H        PHE  18   6.183   0.512   1.251
  154    HA   PHE  18           HA       PHE  18   7.032   3.227   1.547
  155    HB2  PHE  18           2HB      PHE  18   4.639   2.123   0.058
  156    HB3  PHE  18           1HB      PHE  18   5.350   3.719  -0.146
  157    HD1  PHE  18           2HD      PHE  18   7.741   3.853  -1.007
  158    HD2  PHE  18           1HD      PHE  18   5.384   0.316  -1.200
  159    HE1  PHE  18           2HE      PHE  18   9.220   2.966  -2.761
  160    HE2  PHE  18           1HE      PHE  18   6.858  -0.578  -2.954
  161    HZ   PHE  18           HZ       PHE  18   8.781   0.749  -3.738
  162    H    CYS  19           H        CYS  19   4.114   1.388   2.347
  163    HA   CYS  19           HA       CYS  19   3.013   3.712   3.727
  164    HB2  CYS  19           2HB      CYS  19   1.674   1.023   3.551
  165    HB3  CYS  19           1HB      CYS  19   0.942   2.607   3.756
  166    HN1  NH2  20           1H       CYS  19   5.015   3.346   5.157
  167    HN2  NH2  20           2H       CYS  19   4.745   2.412   6.586
  Start of MODEL   18
    1    H1   PHE   1           1HT      PHE   1   4.246   8.124  -6.628
    2    H2   PHE   1           2HT      PHE   1   2.859   8.805  -5.935
    3    H3   PHE   1           3HT      PHE   1   2.737   7.910  -7.363
    4    HA   PHE   1           HA       PHE   1   3.331   5.902  -6.250
    5    HB2  PHE   1           2HB      PHE   1   4.888   6.882  -4.623
    6    HB3  PHE   1           1HB      PHE   1   3.551   7.676  -3.800
    7    HD1  PHE   1           2HD      PHE   1   4.861   4.321  -4.713
    8    HD2  PHE   1           1HD      PHE   1   2.455   6.611  -2.053
    9    HE1  PHE   1           2HE      PHE   1   4.588   2.349  -3.266
   10    HE2  PHE   1           1HE      PHE   1   2.179   4.644  -0.602
   11    HZ   PHE   1           HZ       PHE   1   3.244   2.509  -1.210
   12    H    ASN   2           H        ASN   2   1.613   4.625  -5.649
   13    HA   ASN   2           HA       ASN   2  -0.927   6.015  -5.300
   14    HB2  ASN   2           2HB      ASN   2  -0.661   4.169  -7.002
   15    HB3  ASN   2           1HB      ASN   2  -0.475   3.046  -5.658
   16   HD21  ASN   2          1HD2      ASN   2  -2.309   1.883  -6.134
   17   HD22  ASN   2          2HD2      ASN   2  -3.903   2.519  -5.932
   18    H    TRP   3           H        TRP   3  -0.532   6.691  -3.139
   19    HA   TRP   3           HA       TRP   3   0.075   4.987  -1.000
   20    HB2  TRP   3           2HB      TRP   3  -1.035   6.812   0.400
   21    HB3  TRP   3           1HB      TRP   3   0.316   7.307  -0.613
   22    HD1  TRP   3           HD       TRP   3  -0.208   8.944  -2.650
   23    HE1  TRP   3           1HE      TRP   3  -2.238  10.423  -3.208
   24    HE3  TRP   3           3HE      TRP   3  -3.613   6.907   0.579
   25    HZ2  TRP   3           2HZ      TRP   3  -4.924  10.693  -2.389
   26    HZ3  TRP   3           3HZ      TRP   3  -5.890   7.838   0.630
   27    HH2  TRP   3           HH       TRP   3  -6.531   9.692  -0.825
   28    H    ARG   4           H        ARG   4  -2.782   5.371  -2.802
   29    HA   ARG   4           HA       ARG   4  -4.736   4.652  -0.945
   30    HB2  ARG   4           2HB      ARG   4  -4.512   4.523  -3.912
   31    HB3  ARG   4           1HB      ARG   4  -5.839   3.679  -3.134
   32    HG2  ARG   4           2HG      ARG   4  -6.672   5.719  -2.197
   33    HG3  ARG   4           1HG      ARG   4  -5.245   6.602  -2.743
   34    HD2  ARG   4           2HD      ARG   4  -7.375   5.343  -4.464
   35    HD3  ARG   4           1HD      ARG   4  -7.077   7.065  -4.234
   36    HE   ARG   4           HE       ARG   4  -4.817   5.609  -5.282
   37   HH11  ARG   4          1HH1      ARG   4  -7.749   7.343  -6.095
   38   HH12  ARG   4          2HH1      ARG   4  -7.232   7.720  -7.704
   39   HH21  ARG   4          1HH2      ARG   4  -4.131   6.094  -7.394
   40   HH22  ARG   4          2HH2      ARG   4  -5.161   7.008  -8.448
   41    H    CYS   5           H        CYS   5  -2.404   2.821  -2.611
   42    HA   CYS   5           HA       CYS   5  -3.483   0.243  -2.428
   43    HB2  CYS   5           2HB      CYS   5  -0.748   1.386  -2.641
   44    HB3  CYS   5           1HB      CYS   5  -0.881  -0.296  -2.141
   45    H    CYS   6           H        CYS   6  -1.887   2.290  -0.103
   46    HA   CYS   6           HA       CYS   6  -1.436   0.201   1.821
   47    HB2  CYS   6           2HB      CYS   6  -1.444   3.198   2.248
   48    HB3  CYS   6           1HB      CYS   6  -0.709   1.983   3.294
   49    H    LEU   7           H        LEU   7  -4.158   1.912   0.838
   50    HA   LEU   7           HA       LEU   7  -5.508   1.617   3.405
   51    HB2  LEU   7           2HB      LEU   7  -6.216   2.956   0.815
   52    HB3  LEU   7           1HB      LEU   7  -7.475   2.562   1.967
   53    HG   LEU   7           HG       LEU   7  -6.946   4.814   2.372
   54   HD11  LEU   7          1HD1      LEU   7  -5.972   4.828   4.614
   55   HD12  LEU   7          2HD1      LEU   7  -5.405   3.175   4.375
   56   HD13  LEU   7          3HD1      LEU   7  -7.134   3.518   4.414
   57   HD21  LEU   7          3HD2      LEU   7  -4.671   5.649   2.702
   58   HD22  LEU   7          1HD2      LEU   7  -4.875   4.933   1.103
   59   HD23  LEU   7          2HD2      LEU   7  -4.032   4.039   2.370
   60    H    ILE   8           H        ILE   8  -4.815  -0.112   0.698
   61    HA   ILE   8           HA       ILE   8  -7.203  -1.821   0.944
   62    HB   ILE   8           HB       ILE   8  -5.265  -1.675  -1.377
   63   HG12  ILE   8          2HG1      ILE   8  -6.572   0.397  -1.185
   64   HG13  ILE   8          1HG1      ILE   8  -7.056  -0.530  -2.601
   65   HG21  ILE   8          1HG2      ILE   8  -6.253  -3.842  -1.261
   66   HG22  ILE   8          2HG2      ILE   8  -7.060  -2.958  -2.555
   67   HG23  ILE   8          3HG2      ILE   8  -7.856  -3.161  -0.994
   68   HD11  ILE   8          3HD1      ILE   8  -8.529  -0.406   0.022
   69   HD12  ILE   8          1HD1      ILE   8  -9.015  -1.346  -1.388
   70   HD13  ILE   8          2HD1      ILE   8  -8.981   0.415  -1.472
   71    HA   PRO   9           HA       PRO   9  -4.365  -4.506   3.184
   72    HB2  PRO   9           2HB      PRO   9  -6.622  -6.380   2.672
   73    HB3  PRO   9           1HB      PRO   9  -5.780  -6.013   4.181
   74    HG2  PRO   9           2HG      PRO   9  -8.201  -5.025   3.720
   75    HG3  PRO   9           1HG      PRO   9  -6.958  -4.038   4.510
   76    HD2  PRO   9           2HD      PRO   9  -7.955  -3.938   1.695
   77    HD3  PRO   9           1HD      PRO   9  -7.469  -2.610   2.769
   78    H    ALA  10           H        ALA  10  -5.547  -4.917  -0.006
   79    HA   ALA  10           HA       ALA  10  -4.071  -7.380  -0.460
   80    HB1  ALA  10           1HB      ALA  10  -6.276  -7.107  -1.485
   81    HB2  ALA  10           2HB      ALA  10  -5.015  -7.315  -2.700
   82    HB3  ALA  10           3HB      ALA  10  -5.682  -5.713  -2.386
   83    H    CYS  11           H        CYS  11  -3.817  -3.936  -1.193
   84    HA   CYS  11           HA       CYS  11  -1.455  -4.447  -2.856
   85    HB2  CYS  11           2HB      CYS  11  -3.387  -2.812  -3.475
   86    HB3  CYS  11           1HB      CYS  11  -2.600  -1.717  -2.346
   87    H    ARG  12           H        ARG  12  -2.369  -3.331   0.266
   88    HA   ARG  12           HA       ARG  12  -0.133  -1.776   0.952
   89    HB2  ARG  12           2HB      ARG  12  -2.280  -1.999   2.239
   90    HB3  ARG  12           1HB      ARG  12  -1.715  -3.554   2.803
   91    HG2  ARG  12           2HG      ARG  12   0.323  -2.319   3.698
   92    HG3  ARG  12           1HG      ARG  12  -0.601  -0.843   3.418
   93    HD2  ARG  12           2HD      ARG  12  -1.555  -3.161   5.094
   94    HD3  ARG  12           1HD      ARG  12  -0.771  -1.721   5.742
   95    HE   ARG  12           HE       ARG  12  -2.765  -0.594   4.434
   96   HH11  ARG  12          1HH1      ARG  12  -2.814  -3.442   6.473
   97   HH12  ARG  12          2HH1      ARG  12  -4.457  -3.216   6.967
   98   HH21  ARG  12          1HH2      ARG  12  -4.919  -0.290   5.071
   99   HH22  ARG  12          2HH2      ARG  12  -5.667  -1.412   6.163
  100    H    ARG  13           H        ARG  13  -0.614  -5.182   0.736
  101    HA   ARG  13           HA       ARG  13   1.448  -6.167   2.334
  102    HB2  ARG  13           2HB      ARG  13   0.569  -7.347  -0.303
  103    HB3  ARG  13           1HB      ARG  13   1.319  -8.196   1.038
  104    HG2  ARG  13           2HG      ARG  13  -0.635  -7.905   2.393
  105    HG3  ARG  13           1HG      ARG  13  -1.379  -6.875   1.168
  106    HD2  ARG  13           2HD      ARG  13  -1.206  -8.844  -0.407
  107    HD3  ARG  13           1HD      ARG  13  -0.777  -9.819   0.997
  108    HE   ARG  13           HE       ARG  13  -3.146  -8.428   1.558
  109   HH11  ARG  13          1HH1      ARG  13  -1.993 -10.987  -0.530
  110   HH12  ARG  13          2HH1      ARG  13  -3.519 -11.802  -0.601
  111   HH21  ARG  13          1HH2      ARG  13  -5.170  -9.499   1.476
  112   HH22  ARG  13          2HH2      ARG  13  -5.336 -10.951   0.546
  113    H    ASN  14           H        ASN  14   1.533  -4.956  -0.972
  114    HA   ASN  14           HA       ASN  14   4.334  -5.667  -1.278
  115    HB2  ASN  14           2HB      ASN  14   2.996  -6.027  -3.216
  116    HB3  ASN  14           1HB      ASN  14   2.288  -4.420  -3.114
  117   HD21  ASN  14          1HD2      ASN  14   5.155  -6.240  -3.936
  118   HD22  ASN  14          2HD2      ASN  14   5.898  -5.004  -4.887
  119    H    HIS  15           H        HIS  15   2.484  -2.963  -0.273
  120    HA   HIS  15           HA       HIS  15   4.848  -1.238  -0.613
  121    HB2  HIS  15           2HB      HIS  15   1.946  -0.399  -0.452
  122    HB3  HIS  15           1HB      HIS  15   3.319   0.694  -0.605
  123    HD1  HIS  15           1HD      HIS  15   4.774   0.299  -2.899
  124    HD2  HIS  15           2HD      HIS  15   0.905  -1.210  -2.821
  125    HE1  HIS  15           1HE      HIS  15   4.156  -0.092  -5.302
  126    HE2  HIS  15           2HE      HIS  15   1.902  -1.212  -5.204
  127    H    LYS  16           H        LYS  16   4.202  -3.102   1.548
  128    HA   LYS  16           HA       LYS  16   3.410  -1.590   3.838
  129    HB2  LYS  16           2HB      LYS  16   3.192  -4.098   3.547
  130    HB3  LYS  16           1HB      LYS  16   4.926  -4.202   3.814
  131    HG2  LYS  16           2HG      LYS  16   4.579  -3.100   6.024
  132    HG3  LYS  16           1HG      LYS  16   2.841  -3.228   5.749
  133    HD2  LYS  16           2HD      LYS  16   2.994  -5.636   5.642
  134    HD3  LYS  16           1HD      LYS  16   4.752  -5.560   5.770
  135    HE2  LYS  16           2HE      LYS  16   4.505  -4.514   7.998
  136    HE3  LYS  16           1HE      LYS  16   2.757  -4.711   7.866
  137    HZ1  LYS  16           3HZ      LYS  16   4.740  -6.921   7.834
  138    HZ2  LYS  16           1HZ      LYS  16   3.061  -7.097   7.748
  139    HZ3  LYS  16           2HZ      LYS  16   3.776  -6.491   9.155
  140    H    LYS  17           H        LYS  17   6.314  -1.929   2.101
  141    HA   LYS  17           HA       LYS  17   8.062  -1.361   4.304
  142    HB2  LYS  17           2HB      LYS  17   8.354  -2.003   1.473
  143    HB3  LYS  17           1HB      LYS  17   9.490  -0.774   2.013
  144    HG2  LYS  17           2HG      LYS  17   9.126  -3.505   3.231
  145    HG3  LYS  17           1HG      LYS  17  10.460  -2.992   2.194
  146    HD2  LYS  17           2HD      LYS  17  11.181  -1.384   3.844
  147    HD3  LYS  17           1HD      LYS  17   9.778  -1.739   4.853
  148    HE2  LYS  17           2HE      LYS  17  10.590  -4.062   5.096
  149    HE3  LYS  17           1HE      LYS  17  12.028  -3.627   4.171
  150    HZ1  LYS  17           3HZ      LYS  17  12.433  -3.558   6.558
  151    HZ2  LYS  17           1HZ      LYS  17  11.211  -2.404   6.752
  152    HZ3  LYS  17           2HZ      LYS  17  12.604  -2.021   5.872
  153    H    PHE  18           H        PHE  18   6.265   0.429   1.999
  154    HA   PHE  18           HA       PHE  18   7.694   2.899   2.560
  155    HB2  PHE  18           2HB      PHE  18   6.777   2.280   0.256
  156    HB3  PHE  18           1HB      PHE  18   5.174   2.571   0.921
  157    HD1  PHE  18           1HD      PHE  18   8.362   4.125  -0.023
  158    HD2  PHE  18           2HD      PHE  18   4.381   4.791   1.321
  159    HE1  PHE  18           1HE      PHE  18   8.592   6.519  -0.540
  160    HE2  PHE  18           2HE      PHE  18   4.603   7.186   0.807
  161    HZ   PHE  18           HZ       PHE  18   6.711   8.053  -0.126
  162    H    CYS  19           H        CYS  19   4.497   1.466   2.967
  163    HA   CYS  19           HA       CYS  19   3.711   3.642   4.746
  164    HB2  CYS  19           2HB      CYS  19   2.147   1.347   3.555
  165    HB3  CYS  19           1HB      CYS  19   1.469   2.504   4.698
  166    HN1  NH2  20           1H       CYS  19   5.446   2.804   6.213
  167    HN2  NH2  20           2H       CYS  19   4.997   1.594   7.362
  Start of MODEL   19
    1    H1   PHE   1           1HT      PHE   1   3.351   8.379  -5.784
    2    H2   PHE   1           2HT      PHE   1   3.052   7.561  -7.232
    3    H3   PHE   1           3HT      PHE   1   4.587   7.491  -6.525
    4    HA   PHE   1           HA       PHE   1   3.343   5.448  -6.174
    5    HB2  PHE   1           2HB      PHE   1   5.016   6.099  -4.517
    6    HB3  PHE   1           1HB      PHE   1   3.846   7.128  -3.701
    7    HD1  PHE   1           2HD      PHE   1   4.366   3.576  -4.697
    8    HD2  PHE   1           1HD      PHE   1   2.697   6.297  -1.883
    9    HE1  PHE   1           2HE      PHE   1   3.708   1.687  -3.264
   10    HE2  PHE   1           1HE      PHE   1   2.037   4.414  -0.445
   11    HZ   PHE   1           HZ       PHE   1   2.542   2.104  -1.137
   12    H    ASN   2           H        ASN   2   1.466   4.422  -5.501
   13    HA   ASN   2           HA       ASN   2  -0.864   6.151  -5.269
   14    HB2  ASN   2           2HB      ASN   2  -0.952   4.276  -6.858
   15    HB3  ASN   2           1HB      ASN   2  -0.664   3.140  -5.543
   16   HD21  ASN   2          1HD2      ASN   2  -2.595   2.063  -5.963
   17   HD22  ASN   2          2HD2      ASN   2  -4.129   2.740  -5.550
   18    H    TRP   3           H        TRP   3  -0.823   6.937  -3.210
   19    HA   TRP   3           HA       TRP   3  -0.203   5.492  -0.893
   20    HB2  TRP   3           2HB      TRP   3  -1.416   7.349   0.302
   21    HB3  TRP   3           1HB      TRP   3  -0.153   7.879  -0.804
   22    HD1  TRP   3           HD       TRP   3  -0.936   9.141  -3.049
   23    HE1  TRP   3           1HE      TRP   3  -3.115  10.373  -3.642
   24    HE3  TRP   3           3HE      TRP   3  -3.936   7.334   0.680
   25    HZ2  TRP   3           2HZ      TRP   3  -5.753  10.559  -2.659
   26    HZ3  TRP   3           3HZ      TRP   3  -6.273   8.093   0.784
   27    HH2  TRP   3           HH       TRP   3  -7.161   9.673  -0.852
   28    H    ARG   4           H        ARG   4  -3.049   5.569  -2.801
   29    HA   ARG   4           HA       ARG   4  -4.950   4.829  -0.877
   30    HB2  ARG   4           2HB      ARG   4  -4.782   4.715  -3.834
   31    HB3  ARG   4           1HB      ARG   4  -5.985   3.697  -3.061
   32    HG2  ARG   4           2HG      ARG   4  -6.871   5.722  -1.916
   33    HG3  ARG   4           1HG      ARG   4  -5.739   6.690  -2.861
   34    HD2  ARG   4           2HD      ARG   4  -7.890   6.732  -3.935
   35    HD3  ARG   4           1HD      ARG   4  -6.770   5.799  -4.928
   36    HE   ARG   4           HE       ARG   4  -8.220   4.112  -3.162
   37   HH11  ARG   4          1HH1      ARG   4  -8.534   5.924  -6.138
   38   HH12  ARG   4          2HH1      ARG   4  -9.779   4.907  -6.783
   39   HH21  ARG   4          1HH2      ARG   4  -9.867   2.757  -4.006
   40   HH22  ARG   4          2HH2      ARG   4 -10.540   3.098  -5.566
   41    H    CYS   5           H        CYS   5  -2.504   3.093  -2.462
   42    HA   CYS   5           HA       CYS   5  -3.448   0.458  -2.221
   43    HB2  CYS   5           2HB      CYS   5  -0.753   1.722  -2.420
   44    HB3  CYS   5           1HB      CYS   5  -0.852   0.021  -1.982
   45    H    CYS   6           H        CYS   6  -2.029   2.674   0.056
   46    HA   CYS   6           HA       CYS   6  -1.389   0.716   2.039
   47    HB2  CYS   6           2HB      CYS   6  -1.895   3.638   2.579
   48    HB3  CYS   6           1HB      CYS   6  -0.833   2.528   3.447
   49    H    LEU   7           H        LEU   7  -4.285   2.079   0.982
   50    HA   LEU   7           HA       LEU   7  -5.663   1.562   3.511
   51    HB2  LEU   7           2HB      LEU   7  -6.773   2.698   0.941
   52    HB3  LEU   7           1HB      LEU   7  -7.578   2.657   2.498
   53    HG   LEU   7           HG       LEU   7  -5.069   4.235   1.929
   54   HD11  LEU   7          1HD1      LEU   7  -6.519   6.201   1.932
   55   HD12  LEU   7          2HD1      LEU   7  -7.935   5.158   2.081
   56   HD13  LEU   7          3HD1      LEU   7  -6.940   5.092   0.625
   57   HD21  LEU   7          3HD2      LEU   7  -5.345   3.594   4.272
   58   HD22  LEU   7          1HD2      LEU   7  -6.972   4.275   4.270
   59   HD23  LEU   7          2HD2      LEU   7  -5.575   5.329   4.052
   60    H    ILE   8           H        ILE   8  -4.663  -0.109   0.935
   61    HA   ILE   8           HA       ILE   8  -6.978  -1.936   0.977
   62    HB   ILE   8           HB       ILE   8  -5.051  -1.577  -1.328
   63   HG12  ILE   8          2HG1      ILE   8  -7.920  -0.632  -1.184
   64   HG13  ILE   8          1HG1      ILE   8  -6.539   0.419  -0.890
   65   HG21  ILE   8          1HG2      ILE   8  -6.003  -3.786  -1.257
   66   HG22  ILE   8          2HG2      ILE   8  -6.755  -2.881  -2.570
   67   HG23  ILE   8          3HG2      ILE   8  -7.625  -3.124  -1.056
   68   HD11  ILE   8          3HD1      ILE   8  -7.114  -1.052  -3.451
   69   HD12  ILE   8          1HD1      ILE   8  -5.745   0.019  -3.157
   70   HD13  ILE   8          2HD1      ILE   8  -7.386   0.665  -3.154
   71    HA   PRO   9           HA       PRO   9  -3.886  -4.492   3.056
   72    HB2  PRO   9           2HB      PRO   9  -6.072  -6.470   2.636
   73    HB3  PRO   9           1HB      PRO   9  -5.179  -6.072   4.108
   74    HG2  PRO   9           2HG      PRO   9  -7.668  -5.212   3.776
   75    HG3  PRO   9           1HG      PRO   9  -6.442  -4.164   4.515
   76    HD2  PRO   9           2HD      PRO   9  -7.568  -4.107   1.744
   77    HD3  PRO   9           1HD      PRO   9  -7.128  -2.758   2.811
   78    H    ALA  10           H        ALA  10  -5.270  -4.914  -0.054
   79    HA   ALA  10           HA       ALA  10  -3.732  -7.293  -0.677
   80    HB1  ALA  10           1HB      ALA  10  -5.460  -5.583  -2.464
   81    HB2  ALA  10           2HB      ALA  10  -5.985  -7.030  -1.603
   82    HB3  ALA  10           3HB      ALA  10  -4.771  -7.152  -2.876
   83    H    CYS  11           H        CYS  11  -3.587  -3.819  -1.233
   84    HA   CYS  11           HA       CYS  11  -1.288  -4.174  -3.011
   85    HB2  CYS  11           2HB      CYS  11  -3.235  -2.519  -3.462
   86    HB3  CYS  11           1HB      CYS  11  -2.454  -1.506  -2.253
   87    H    ARG  12           H        ARG  12  -2.146  -2.962   0.166
   88    HA   ARG  12           HA       ARG  12   0.317  -1.694   0.752
   89    HB2  ARG  12           2HB      ARG  12  -1.949  -1.566   1.999
   90    HB3  ARG  12           1HB      ARG  12  -1.397  -3.004   2.839
   91    HG2  ARG  12           2HG      ARG  12   0.628  -1.776   3.546
   92    HG3  ARG  12           1HG      ARG  12  -0.032  -0.322   2.796
   93    HD2  ARG  12           2HD      ARG  12  -1.961  -0.425   4.293
   94    HD3  ARG  12           1HD      ARG  12  -1.313  -1.888   5.035
   95    HE   ARG  12           HE       ARG  12   0.693  -0.285   5.509
   96   HH11  ARG  12          1HH1      ARG  12  -2.707   0.536   5.631
   97   HH12  ARG  12          2HH1      ARG  12  -2.506   1.720   6.881
   98   HH21  ARG  12          1HH2      ARG  12   0.976   1.297   7.123
   99   HH22  ARG  12          2HH2      ARG  12  -0.403   2.159   7.732
  100    H    ARG  13           H        ARG  13  -0.689  -4.952   0.664
  101    HA   ARG  13           HA       ARG  13   1.074  -6.191   2.427
  102    HB2  ARG  13           2HB      ARG  13  -0.862  -7.203   1.104
  103    HB3  ARG  13           1HB      ARG  13   0.263  -7.341  -0.238
  104    HG2  ARG  13           2HG      ARG  13   1.675  -8.816   1.035
  105    HG3  ARG  13           1HG      ARG  13   0.671  -8.590   2.471
  106    HD2  ARG  13           2HD      ARG  13  -0.067  -9.954  -0.110
  107    HD3  ARG  13           1HD      ARG  13   0.047 -10.671   1.497
  108    HE   ARG  13           HE       ARG  13  -1.849  -8.821   1.867
  109   HH11  ARG  13          1HH1      ARG  13  -1.439 -11.217  -0.647
  110   HH12  ARG  13          2HH1      ARG  13  -3.136 -11.390  -0.944
  111   HH21  ARG  13          1HH2      ARG  13  -4.090  -9.034   1.482
  112   HH22  ARG  13          2HH2      ARG  13  -4.653 -10.144   0.276
  113    H    ASN  14           H        ASN  14   1.501  -5.356  -0.993
  114    HA   ASN  14           HA       ASN  14   4.301  -6.180  -0.883
  115    HB2  ASN  14           2HB      ASN  14   2.737  -6.738  -2.828
  116    HB3  ASN  14           1HB      ASN  14   2.842  -5.038  -3.269
  117   HD21  ASN  14          1HD2      ASN  14   3.785  -5.622  -5.252
  118   HD22  ASN  14          2HD2      ASN  14   5.440  -6.107  -5.351
  119    H    HIS  15           H        HIS  15   2.797  -3.637   0.203
  120    HA   HIS  15           HA       HIS  15   4.940  -1.775  -0.571
  121    HB2  HIS  15           2HB      HIS  15   1.997  -1.108  -0.311
  122    HB3  HIS  15           1HB      HIS  15   3.275   0.092  -0.444
  123    HD1  HIS  15           1HD      HIS  15   4.657  -1.995  -2.711
  124    HD2  HIS  15           2HD      HIS  15   0.998  -0.021  -2.760
  125    HE1  HIS  15           1HE      HIS  15   4.010  -1.823  -5.134
  126    HE2  HIS  15           2HE      HIS  15   1.697  -0.829  -5.110
  127    H    LYS  16           H        LYS  16   4.531  -3.577   1.672
  128    HA   LYS  16           HA       LYS  16   3.630  -2.267   3.979
  129    HB2  LYS  16           2HB      LYS  16   5.240  -4.668   3.363
  130    HB3  LYS  16           1HB      LYS  16   5.455  -3.996   4.974
  131    HG2  LYS  16           2HG      LYS  16   2.724  -4.551   3.876
  132    HG3  LYS  16           1HG      LYS  16   3.688  -5.820   4.636
  133    HD2  LYS  16           2HD      LYS  16   2.992  -3.187   5.938
  134    HD3  LYS  16           1HD      LYS  16   2.110  -4.694   6.196
  135    HE2  LYS  16           2HE      LYS  16   4.060  -5.738   7.140
  136    HE3  LYS  16           1HE      LYS  16   5.056  -4.341   6.734
  137    HZ1  LYS  16           3HZ      LYS  16   3.779  -3.013   8.285
  138    HZ2  LYS  16           1HZ      LYS  16   4.433  -4.359   9.072
  139    HZ3  LYS  16           2HZ      LYS  16   2.794  -4.335   8.659
  140    H    LYS  17           H        LYS  17   6.593  -1.974   2.240
  141    HA   LYS  17           HA       LYS  17   8.058  -0.837   4.437
  142    HB2  LYS  17           2HB      LYS  17   8.611  -1.234   1.516
  143    HB3  LYS  17           1HB      LYS  17   9.655  -0.206   2.486
  144    HG2  LYS  17           2HG      LYS  17  10.121  -2.085   3.978
  145    HG3  LYS  17           1HG      LYS  17   9.068  -3.115   3.006
  146    HD2  LYS  17           2HD      LYS  17  10.520  -2.805   1.076
  147    HD3  LYS  17           1HD      LYS  17  11.556  -1.724   2.012
  148    HE2  LYS  17           2HE      LYS  17  12.095  -3.555   3.537
  149    HE3  LYS  17           1HE      LYS  17  11.044  -4.635   2.620
  150    HZ1  LYS  17           3HZ      LYS  17  13.495  -3.306   1.592
  151    HZ2  LYS  17           1HZ      LYS  17  12.479  -4.316   0.692
  152    HZ3  LYS  17           2HZ      LYS  17  13.349  -4.941   1.999
  153    H    PHE  18           H        PHE  18   6.289   0.318   1.660
  154    HA   PHE  18           HA       PHE  18   7.056   3.052   1.991
  155    HB2  PHE  18           2HB      PHE  18   4.758   1.840   0.435
  156    HB3  PHE  18           1HB      PHE  18   5.295   3.511   0.319
  157    HD1  PHE  18           2HD      PHE  18   7.532   4.017  -0.636
  158    HD2  PHE  18           1HD      PHE  18   5.846   0.111  -0.748
  159    HE1  PHE  18           2HE      PHE  18   9.121   3.387  -2.407
  160    HE2  PHE  18           1HE      PHE  18   7.429  -0.526  -2.520
  161    HZ   PHE  18           HZ       PHE  18   9.070   1.113  -3.352
  162    H    CYS  19           H        CYS  19   4.145   1.153   2.703
  163    HA   CYS  19           HA       CYS  19   3.032   3.435   4.149
  164    HB2  CYS  19           2HB      CYS  19   1.614   0.810   3.880
  165    HB3  CYS  19           1HB      CYS  19   0.948   2.433   3.988
  166    HN1  NH2  20           1H       CYS  19   5.097   2.813   5.522
  167    HN2  NH2  20           2H       CYS  19   4.744   1.862   6.921
  Start of MODEL   20
    1    H1   PHE   1           1HT      PHE   1   3.274   8.527  -5.647
    2    H2   PHE   1           2HT      PHE   1   2.979   7.783  -7.136
    3    H3   PHE   1           3HT      PHE   1   4.513   7.681  -6.431
    4    HA   PHE   1           HA       PHE   1   3.270   5.618  -6.186
    5    HB2  PHE   1           2HB      PHE   1   4.942   6.183  -4.499
    6    HB3  PHE   1           1HB      PHE   1   3.775   7.177  -3.635
    7    HD1  PHE   1           2HD      PHE   1   4.383   3.675  -4.737
    8    HD2  PHE   1           1HD      PHE   1   2.525   6.262  -1.911
    9    HE1  PHE   1           2HE      PHE   1   3.723   1.726  -3.389
   10    HE2  PHE   1           1HE      PHE   1   1.862   4.316  -0.559
   11    HZ   PHE   1           HZ       PHE   1   2.460   2.045  -1.299
   12    H    ASN   2           H        ASN   2   1.411   4.545  -5.490
   13    HA   ASN   2           HA       ASN   2  -0.934   6.245  -5.228
   14    HB2  ASN   2           2HB      ASN   2  -1.021   4.387  -6.831
   15    HB3  ASN   2           1HB      ASN   2  -0.695   3.240  -5.534
   16   HD21  ASN   2          1HD2      ASN   2  -2.624   2.146  -5.971
   17   HD22  ASN   2          2HD2      ASN   2  -4.159   2.793  -5.516
   18    H    TRP   3           H        TRP   3  -0.920   7.011  -3.162
   19    HA   TRP   3           HA       TRP   3  -0.253   5.558  -0.862
   20    HB2  TRP   3           2HB      TRP   3  -1.374   7.368   0.386
   21    HB3  TRP   3           1HB      TRP   3  -0.307   7.993  -0.865
   22    HD1  TRP   3           HD       TRP   3  -1.549   8.988  -3.114
   23    HE1  TRP   3           1HE      TRP   3  -3.843  10.129  -3.355
   24    HE3  TRP   3           3HE      TRP   3  -3.696   7.435   1.263
   25    HZ2  TRP   3           2HZ      TRP   3  -6.244  10.346  -1.884
   26    HZ3  TRP   3           3HZ      TRP   3  -5.992   8.158   1.771
   27    HH2  TRP   3           HH       TRP   3  -7.238   9.584   0.230
   28    H    ARG   4           H        ARG   4  -3.108   5.587  -2.757
   29    HA   ARG   4           HA       ARG   4  -4.970   4.768  -0.821
   30    HB2  ARG   4           2HB      ARG   4  -4.848   4.741  -3.779
   31    HB3  ARG   4           1HB      ARG   4  -6.004   3.660  -3.020
   32    HG2  ARG   4           2HG      ARG   4  -5.846   6.635  -2.573
   33    HG3  ARG   4           1HG      ARG   4  -6.998   5.819  -3.633
   34    HD2  ARG   4           2HD      ARG   4  -7.948   4.639  -1.740
   35    HD3  ARG   4           1HD      ARG   4  -6.748   5.352  -0.663
   36    HE   ARG   4           HE       ARG   4  -8.238   7.354  -2.023
   37   HH11  ARG   4          1HH1      ARG   4  -8.426   5.067   0.615
   38   HH12  ARG   4          2HH1      ARG   4  -9.579   5.993   1.515
   39   HH21  ARG   4          1HH2      ARG   4  -9.767   8.591  -0.843
   40   HH22  ARG   4          2HH2      ARG   4 -10.345   8.007   0.682
   41    H    CYS   5           H        CYS   5  -2.495   3.129  -2.452
   42    HA   CYS   5           HA       CYS   5  -3.367   0.472  -2.270
   43    HB2  CYS   5           2HB      CYS   5  -0.722   1.822  -2.453
   44    HB3  CYS   5           1HB      CYS   5  -0.741   0.131  -1.965
   45    H    CYS   6           H        CYS   6  -1.989   2.663   0.068
   46    HA   CYS   6           HA       CYS   6  -1.377   0.660   2.024
   47    HB2  CYS   6           2HB      CYS   6  -1.896   3.560   2.655
   48    HB3  CYS   6           1HB      CYS   6  -0.791   2.436   3.445
   49    H    LEU   7           H        LEU   7  -4.254   2.076   0.956
   50    HA   LEU   7           HA       LEU   7  -5.664   1.521   3.451
   51    HB2  LEU   7           2HB      LEU   7  -6.449   2.901   0.897
   52    HB3  LEU   7           1HB      LEU   7  -7.658   2.393   2.058
   53    HG   LEU   7           HG       LEU   7  -7.300   4.656   2.528
   54   HD11  LEU   7          1HD1      LEU   7  -7.294   3.299   4.540
   55   HD12  LEU   7          2HD1      LEU   7  -6.244   4.702   4.731
   56   HD13  LEU   7          3HD1      LEU   7  -5.544   3.112   4.428
   57   HD21  LEU   7          3HD2      LEU   7  -5.090   5.674   2.798
   58   HD22  LEU   7          1HD2      LEU   7  -5.303   4.991   1.187
   59   HD23  LEU   7          2HD2      LEU   7  -4.334   4.134   2.385
   60    H    ILE   8           H        ILE   8  -4.714  -0.017   0.713
   61    HA   ILE   8           HA       ILE   8  -6.964  -1.923   0.784
   62    HB   ILE   8           HB       ILE   8  -4.997  -1.497  -1.476
   63   HG12  ILE   8          2HG1      ILE   8  -7.911  -0.696  -1.403
   64   HG13  ILE   8          1HG1      ILE   8  -6.595   0.422  -1.053
   65   HG21  ILE   8          1HG2      ILE   8  -5.880  -3.760  -1.375
   66   HG22  ILE   8          2HG2      ILE   8  -6.545  -2.900  -2.765
   67   HG23  ILE   8          3HG2      ILE   8  -7.528  -3.131  -1.319
   68   HD11  ILE   8          3HD1      ILE   8  -5.708   0.075  -3.300
   69   HD12  ILE   8          1HD1      ILE   8  -7.372   0.658  -3.339
   70   HD13  ILE   8          2HD1      ILE   8  -7.026  -1.045  -3.647
   71    HA   PRO   9           HA       PRO   9  -3.932  -4.407   3.028
   72    HB2  PRO   9           2HB      PRO   9  -6.010  -6.418   2.276
   73    HB3  PRO   9           1HB      PRO   9  -5.210  -6.153   3.831
   74    HG2  PRO   9           2HG      PRO   9  -7.690  -5.289   3.433
   75    HG3  PRO   9           1HG      PRO   9  -6.525  -4.307   4.341
   76    HD2  PRO   9           2HD      PRO   9  -7.547  -3.954   1.565
   77    HD3  PRO   9           1HD      PRO   9  -7.066  -2.731   2.758
   78    H    ALA  10           H        ALA  10  -5.342  -5.233  -0.100
   79    HA   ALA  10           HA       ALA  10  -3.532  -7.336  -0.706
   80    HB1  ALA  10           1HB      ALA  10  -4.420  -7.198  -2.965
   81    HB2  ALA  10           2HB      ALA  10  -5.187  -5.656  -2.583
   82    HB3  ALA  10           3HB      ALA  10  -5.723  -7.131  -1.778
   83    H    CYS  11           H        CYS  11  -3.496  -3.852  -1.314
   84    HA   CYS  11           HA       CYS  11  -1.080  -4.119  -2.926
   85    HB2  CYS  11           2HB      CYS  11  -3.073  -2.458  -3.334
   86    HB3  CYS  11           1HB      CYS  11  -2.240  -1.469  -2.140
   87    H    ARG  12           H        ARG  12  -2.116  -2.988   0.227
   88    HA   ARG  12           HA       ARG  12   0.310  -1.758   1.008
   89    HB2  ARG  12           2HB      ARG  12  -1.959  -1.550   2.119
   90    HB3  ARG  12           1HB      ARG  12  -1.661  -3.114   2.841
   91    HG2  ARG  12           2HG      ARG  12   0.567  -1.958   3.634
   92    HG3  ARG  12           1HG      ARG  12  -0.396  -0.495   3.422
   93    HD2  ARG  12           2HD      ARG  12  -1.185  -2.876   5.098
   94    HD3  ARG  12           1HD      ARG  12  -0.505  -1.374   5.722
   95    HE   ARG  12           HE       ARG  12  -2.622  -0.437   4.430
   96   HH11  ARG  12          1HH1      ARG  12  -2.354  -3.190   6.575
   97   HH12  ARG  12          2HH1      ARG  12  -3.995  -3.086   7.123
   98   HH21  ARG  12          1HH2      ARG  12  -4.769  -0.286   5.138
   99   HH22  ARG  12          2HH2      ARG  12  -5.381  -1.420   6.299
  100    H    ARG  13           H        ARG  13  -0.768  -5.018   0.854
  101    HA   ARG  13           HA       ARG  13   0.985  -6.271   2.632
  102    HB2  ARG  13           2HB      ARG  13  -0.978  -7.315   1.449
  103    HB3  ARG  13           1HB      ARG  13   0.015  -7.398   0.001
  104    HG2  ARG  13           2HG      ARG  13   0.132  -9.530   0.944
  105    HG3  ARG  13           1HG      ARG  13   1.653  -8.755   1.392
  106    HD2  ARG  13           2HD      ARG  13   0.883  -8.344   3.605
  107    HD3  ARG  13           1HD      ARG  13  -0.765  -8.805   3.183
  108    HE   ARG  13           HE       ARG  13   0.976 -10.968   2.703
  109   HH11  ARG  13          1HH1      ARG  13  -0.470  -9.188   5.340
  110   HH12  ARG  13          2HH1      ARG  13  -0.452 -10.529   6.437
  111   HH21  ARG  13          1HH2      ARG  13   1.005 -12.756   4.144
  112   HH22  ARG  13          2HH2      ARG  13   0.392 -12.566   5.752
  113    H    ASN  14           H        ASN  14   1.402  -5.338  -0.731
  114    HA   ASN  14           HA       ASN  14   4.114  -6.387  -0.797
  115    HB2  ASN  14           2HB      ASN  14   2.976  -6.787  -2.816
  116    HB3  ASN  14           1HB      ASN  14   2.256  -5.183  -2.835
  117   HD21  ASN  14          1HD2      ASN  14   5.128  -7.046  -3.471
  118   HD22  ASN  14          2HD2      ASN  14   5.934  -5.847  -4.417
  119    H    HIS  15           H        HIS  15   2.444  -3.400  -0.335
  120    HA   HIS  15           HA       HIS  15   4.966  -1.909  -0.629
  121    HB2  HIS  15           2HB      HIS  15   2.104  -0.943  -0.679
  122    HB3  HIS  15           1HB      HIS  15   3.501   0.128  -0.687
  123    HD1  HIS  15           1HD      HIS  15   5.180  -0.292  -2.818
  124    HD2  HIS  15           2HD      HIS  15   1.297  -1.728  -3.144
  125    HE1  HIS  15           1HE      HIS  15   4.809  -0.674  -5.273
  126    HE2  HIS  15           2HE      HIS  15   2.527  -1.728  -5.417
  127    H    LYS  16           H        LYS  16   4.338  -3.531   1.653
  128    HA   LYS  16           HA       LYS  16   3.441  -1.976   3.835
  129    HB2  LYS  16           2HB      LYS  16   4.541  -3.757   5.219
  130    HB3  LYS  16           1HB      LYS  16   3.408  -4.363   4.019
  131    HG2  LYS  16           2HG      LYS  16   5.241  -4.976   2.557
  132    HG3  LYS  16           1HG      LYS  16   6.402  -4.299   3.699
  133    HD2  LYS  16           2HD      LYS  16   5.723  -5.939   5.374
  134    HD3  LYS  16           1HD      LYS  16   4.533  -6.603   4.252
  135    HE2  LYS  16           2HE      LYS  16   6.289  -7.278   2.733
  136    HE3  LYS  16           1HE      LYS  16   7.506  -6.515   3.755
  137    HZ1  LYS  16           3HZ      LYS  16   5.801  -8.822   4.515
  138    HZ2  LYS  16           1HZ      LYS  16   6.949  -8.083   5.514
  139    HZ3  LYS  16           2HZ      LYS  16   7.442  -8.893   4.113
  140    H    LYS  17           H        LYS  17   6.409  -2.067   2.147
  141    HA   LYS  17           HA       LYS  17   8.014  -1.043   4.306
  142    HB2  LYS  17           2HB      LYS  17   8.451  -1.857   1.506
  143    HB3  LYS  17           1HB      LYS  17   9.497  -0.572   2.089
  144    HG2  LYS  17           2HG      LYS  17  10.064  -2.064   4.035
  145    HG3  LYS  17           1HG      LYS  17   9.209  -3.355   3.188
  146    HD2  LYS  17           2HD      LYS  17  11.551  -3.550   2.702
  147    HD3  LYS  17           1HD      LYS  17  10.726  -2.994   1.243
  148    HE2  LYS  17           2HE      LYS  17  11.399  -0.691   1.754
  149    HE3  LYS  17           1HE      LYS  17  12.237  -1.259   3.198
  150    HZ1  LYS  17           3HZ      LYS  17  13.757  -0.932   1.345
  151    HZ2  LYS  17           1HZ      LYS  17  12.889  -2.043   0.407
  152    HZ3  LYS  17           2HZ      LYS  17  13.705  -2.561   1.796
  153    H    PHE  18           H        PHE  18   6.075   0.226   1.779
  154    HA   PHE  18           HA       PHE  18   7.229   2.886   1.998
  155    HB2  PHE  18           2HB      PHE  18   6.242   1.646  -0.151
  156    HB3  PHE  18           1HB      PHE  18   4.748   2.378   0.424
  157    HD1  PHE  18           1HD      PHE  18   4.824   4.924   0.899
  158    HD2  PHE  18           2HD      PHE  18   7.684   2.858  -1.481
  159    HE1  PHE  18           1HE      PHE  18   5.457   7.045  -0.177
  160    HE2  PHE  18           2HE      PHE  18   8.322   4.975  -2.559
  161    HZ   PHE  18           HZ       PHE  18   7.208   7.073  -1.909
  162    H    CYS  19           H        CYS  19   4.218   1.171   2.682
  163    HA   CYS  19           HA       CYS  19   3.121   3.540   3.980
  164    HB2  CYS  19           2HB      CYS  19   1.749   0.867   3.828
  165    HB3  CYS  19           1HB      CYS  19   1.034   2.466   3.964
  166    HN1  NH2  20           1H       CYS  19   5.080   3.169   5.477
  167    HN2  NH2  20           2H       CYS  19   4.762   2.249   6.906