*HEADER    ANTIMICROBIAL PROTEIN                   25-JUN-19   6PI2              
*TITLE     NMR SOLUTION STRUCTURE OF NATIVE TACHYPLESIN II PEPTIDE               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TACHYPLESIN II;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: LIMULUS POLYPHEMUS;                             
*SOURCE   4 ORGANISM_TAXID: 6850                                                 
*KEYWDS    DEFENSE PEPTIDE, ANTIMICROBIAL PROTEIN                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.J.HARVEY,S.TROEIRA HENRIQUES,F.VERNEN                               
*REVDAT   1   11-SEP-19 6PI2    0                                                
# Restraints file 1: T2restraintspdb.tbl
!distance restraints
assign (resid   8 and name   HN)   (resid  11 and name   HN)   2.670    0.870    0.870  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   3.330    1.530    1.530  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.765    0.965    0.965  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.685    0.885    0.885  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.230    0.430    0.430  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.155    0.355    0.355  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.210    0.410    0.410  
assign (resid   3 and name   HA)   (resid   4 and name  HB1)   3.075    1.275    1.275  
assign (resid   3 and name   HA)   (resid   4 and name  HD#)   2.845    1.045    1.045  
assign (resid   4 and name   HN)   (resid   4 and name  HD#)   2.775    0.975    0.975  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.545    0.745    0.745  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   2.455    0.655    0.655  
assign (resid   5 and name   HA)   (resid   5 and name  HD2)   3.650    1.850    1.850  
assign (resid   5 and name   HA)   (resid   5 and name  HD1)   3.650    1.850    1.850  
assign (resid   4 and name  HB2)   (resid   5 and name   HA)   3.390    1.590    1.590  
assign (resid   5 and name   HA)   (resid   6 and name HG2#)   3.180    1.380    1.380  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.625    0.825    0.825  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.630    0.830    0.830  
assign (resid   5 and name   HN)   (resid   5 and name  HD2)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid   5 and name  HD1)   3.650    1.850    1.850  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   3.085    1.285    1.285  
assign (resid   6 and name   HN)   (resid   6 and name   HB)   2.565    0.765    0.765  
assign (resid   5 and name  HG2)   (resid   6 and name   HN)   2.915    1.115    1.115  
assign (resid   5 and name  HG1)   (resid   6 and name   HN)   2.915    1.115    1.115  
assign (resid   6 and name   HN)   (resid   6 and name HG2#)   2.720    0.920    0.920  
assign (resid   6 and name   HN)   (resid  12 and name  HB1)   3.220    1.420    1.420  
assign (resid   6 and name   HN)   (resid  12 and name   HA)   3.230    1.430    1.430  
assign (resid   6 and name   HN)   (resid  13 and name  HD#)   3.340    1.540    1.540  
assign (resid   6 and name   HN)   (resid  13 and name   HN)   2.575    0.775    0.775  
assign (resid   7 and name   HA)   (resid   8 and name  HB2)   3.345    1.545    1.545  
assign (resid   7 and name   HA)   (resid   8 and name  HB1)   3.510    1.710    1.710  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   3.315    1.515    1.515  
assign (resid   6 and name HG1#)   (resid   8 and name   HN)   3.410    1.610    1.610  
assign (resid   8 and name   HN)   (resid  11 and name HD1#)   3.555    1.755    1.755  
assign (resid   8 and name   HN)   (resid  11 and name   HB)   3.205    1.405    1.405  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.770    0.970    0.970  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.500    0.700    0.700  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.240    0.440    0.440  
assign (resid   8 and name   HN)   (resid  12 and name   HA)   2.870    1.070    1.070  
assign (resid   8 and name   HN)   (resid  13 and name  HD#)   3.400    1.600    1.600  
assign (resid   8 and name   HN)   (resid  13 and name  HE#)   3.385    1.585    1.585  
assign (resid   8 and name   HN)   (resid   8 and name  HD#)   3.170    1.370    1.370  
assign (resid   8 and name  HE#)   (resid  11 and name HD1#)   2.990    1.190    1.190  
assign (resid  11 and name   HB)   (resid  11 and name HD1#)   2.670    0.870    0.870  
assign (resid   7 and name  HB1)   (resid  11 and name   HN)   3.515    1.715    1.715  
assign (resid  11 and name   HN)   (resid  11 and name   HB)   2.460    0.660    0.660  
assign (resid  11 and name   HN)   (resid  11 and name HG12)   2.890    1.090    1.090  
assign (resid  11 and name   HN)   (resid  11 and name HG11)   2.890    1.090    1.090  
assign (resid  11 and name   HN)   (resid  11 and name HG2#)   2.975    1.175    1.175  
assign (resid   8 and name  HB1)   (resid  11 and name   HN)   3.075    1.275    1.275  
assign (resid   7 and name   HA)   (resid  11 and name   HN)   3.570    1.770    1.770  
assign (resid   8 and name  HB1)   (resid  12 and name   HA)   3.510    1.710    1.710  
assign (resid   6 and name HG1#)   (resid  12 and name   HA)   3.385    1.585    1.585  
assign (resid  11 and name HG2#)   (resid  12 and name   HA)   3.095    1.295    1.295  
assign (resid  11 and name HG2#)   (resid  12 and name   HN)   2.705    0.905    0.905  
assign (resid  11 and name   HB)   (resid  12 and name   HN)   3.280    1.480    1.480  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.945    1.145    1.145  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.630    0.830    0.830  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.195    0.395    0.395  
assign (resid  11 and name HG2#)   (resid  13 and name   HN)   3.280    1.480    1.480  
assign (resid   6 and name   HB)   (resid  13 and name   HN)   3.080    1.280    1.280  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   2.620    0.820    0.820  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.850    1.050    1.050  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.850    1.050    1.050  
assign (resid   5 and name   HA)   (resid  13 and name   HN)   3.325    1.525    1.525  
assign (resid   7 and name   HA)   (resid  13 and name   HN)   2.765    0.965    0.965  
assign (resid  13 and name   HN)   (resid  13 and name  HD#)   2.685    0.885    0.885  
assign (resid  13 and name  HD#)   (resid  14 and name   HA)   3.075    1.275    1.275  
assign (resid  13 and name  HE#)   (resid  15 and name   HA)   3.575    1.775    1.775  
assign (resid  11 and name   HB)   (resid  13 and name  HD#)   3.380    1.580    1.580  
assign (resid  11 and name   HB)   (resid  13 and name  HE#)   3.125    1.325    1.325  
assign (resid   6 and name   HB)   (resid  13 and name  HE#)   3.090    1.290    1.290  
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.905    1.105    1.105  
assign (resid   7 and name   HA)   (resid  13 and name  HD#)   3.255    1.455    1.455  
assign (resid  12 and name   HN)   (resid  13 and name  HD#)   3.445    1.645    1.645  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.520    1.720    1.720  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.695    0.895    0.895  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.695    0.895    0.895  
assign (resid   6 and name HG2#)   (resid  15 and name   HN)   3.060    1.260    1.260  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   3.155    1.355    1.355  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   3.155    1.355    1.355  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.780    0.980    0.980  
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   2.780    0.980    0.980  
assign (resid   5 and name   HA)   (resid  15 and name   HN)   2.925    1.125    1.125  
assign (resid   4 and name  HE#)   (resid  15 and name  HB1)   3.095    1.295    1.295  
assign (resid   4 and name  HD#)   (resid   6 and name HG2#)   2.710    0.910    0.910  
assign (resid   4 and name  HD#)   (resid   6 and name   HB)   3.330    1.530    1.530  
assign (resid   8 and name  HB1)   (resid  11 and name HG2#)   2.915    1.115    1.115  
assign (resid   8 and name  HB1)   (resid  11 and name HD1#)   2.760    0.960    0.960  
assign (resid   2 and name   HA)   (resid   2 and name  HD1)   3.005    1.205    1.205  
assign (resid   4 and name   HA)   (resid   4 and name  HB2)   2.360    0.560    0.560  
assign (resid  11 and name   HA)   (resid  11 and name HD1#)   2.645    0.845    0.845  
assign (resid  11 and name   HA)   (resid  11 and name HG2#)   2.425    0.625    0.625  
assign (resid   8 and name   HA)   (resid   8 and name  HD#)   2.530    0.730    0.730  
assign (resid   8 and name  HD#)   (resid   9 and name  HG2)   3.235    1.435    1.435  
assign (resid   8 and name  HD#)   (resid   9 and name  HG1)   3.235    1.435    1.435  
assign (resid   8 and name  HD#)   (resid  11 and name HD1#)   2.945    1.145    1.145  
assign (resid   8 and name   HA)   (resid   8 and name  HB2)   2.315    0.515    0.515  
assign (resid  11 and name HG2#)   (resid  13 and name  HD#)   2.660    0.860    0.860  
assign (resid   6 and name   HB)   (resid  13 and name  HD#)   3.235    1.435    1.435  
assign (resid  13 and name  HE#)   (resid  15 and name  HD2)   3.650    1.850    1.850  
assign (resid  13 and name  HE#)   (resid  15 and name  HD1)   3.650    1.850    1.850  
assign (resid  11 and name HG2#)   (resid  13 and name  HE#)   2.675    0.875    0.875  
assign (resid   8 and name  HB2)   (resid  13 and name  HE#)   2.990    1.190    1.190  
assign (resid   8 and name  HB1)   (resid  13 and name  HE#)   3.065    1.265    1.265  
assign (resid  13 and name   HA)   (resid  13 and name  HD#)   2.845    1.045    1.045  
assign (resid  13 and name  HD#)   (resid  15 and name   HA)   3.190    1.390    1.390  
assign (resid  11 and name HG2#)   (resid  13 and name   HA)   3.560    1.760    1.760  
assign (resid  14 and name   HA)   (resid  14 and name  HG2)   2.855    1.055    1.055  
assign (resid  14 and name   HA)   (resid  14 and name  HG1)   2.855    1.055    1.055  
assign (resid  15 and name   HA)   (resid  15 and name  HG2)   2.880    1.080    1.080  
assign (resid  15 and name   HA)   (resid  15 and name  HG1)   2.880    1.080    1.080  
assign (resid  15 and name   HA)   (resid  15 and name  HD2)   3.650    1.850    1.850  
assign (resid  15 and name   HA)   (resid  15 and name  HD1)   3.650    1.850    1.850  
assign (resid   4 and name  HE#)   (resid   6 and name HG2#)   2.625    0.825    0.825  
assign (resid   4 and name  HE#)   (resid  15 and name  HB2)   3.095    1.295    1.295  
assign (resid   4 and name  HE#)   (resid   6 and name   HB)   3.050    1.250    1.250  
assign (resid   5 and name  HB1)   (resid  12 and name  HB1)   3.280    1.480    1.480  
assign (resid   2 and name  HB#)   (resid   2 and name  HD1)   2.565    0.765    0.765  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.540    0.740    0.740  
assign (resid   3 and name  HB#)   (resid  14 and name  HG#)   2.635    0.835    0.835  
assign (resid   4 and name  HE#)   (resid  15 and name  HB#)   2.805    1.005    1.005  
assign (resid   4 and name  HE#)   (resid  15 and name  HD#)   2.920    1.120    1.120  
assign (resid   5 and name   HA)   (resid   5 and name  HG#)   2.700    0.900    0.900  
assign (resid   5 and name   HA)   (resid   5 and name  HD#)   3.260    1.460    1.460  
assign (resid   5 and name  HB1)   (resid   5 and name  HG#)   2.140    0.340    0.340  
assign (resid   5 and name  HB1)   (resid   5 and name  HD#)   2.710    0.910    0.910  
assign (resid   5 and name  HG#)   (resid  12 and name  HB1)   2.795    0.995    0.995  
assign (resid   5 and name  HG#)   (resid  13 and name   HN)   3.185    1.385    1.385  
assign (resid   6 and name HG2#)   (resid  15 and name  HD#)   3.190    1.390    1.390  
assign (resid   8 and name  HD#)   (resid   9 and name  HB#)   2.865    1.065    1.065  
assign (resid   8 and name  HD#)   (resid   9 and name  HG#)   2.825    1.025    1.025  
assign (resid   8 and name  HE#)   (resid   9 and name  HB#)   3.095    1.295    1.295  
assign (resid   8 and name  HE#)   (resid   9 and name  HG#)   3.310    1.510    1.510  
assign (resid   9 and name   HA)   (resid   9 and name  HG#)   2.690    0.890    0.890  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   3.105    1.305    1.305  
assign (resid   9 and name  HB#)   (resid  11 and name HD1#)   2.415    0.615    0.615  
assign (resid  11 and name   HN)   (resid  11 and name HG1#)   2.595    0.795    0.795  
assign (resid  11 and name   HA)   (resid  11 and name HG1#)   2.725    0.925    0.925  
assign (resid  11 and name HG2#)   (resid  11 and name HG1#)   2.585    0.785    0.785  
assign (resid  11 and name HG2#)   (resid  13 and name  HB#)   3.085    1.285    1.285  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.565    0.765    0.765  
assign (resid  13 and name  HD#)   (resid  15 and name  HG#)   2.980    1.180    1.180  
assign (resid  13 and name  HD#)   (resid  15 and name  HD#)   3.185    1.385    1.385  
assign (resid  13 and name  HE#)   (resid  15 and name  HB#)   3.220    1.420    1.420  
assign (resid  13 and name  HE#)   (resid  15 and name  HG#)   2.760    0.960    0.960  
assign (resid  13 and name  HE#)   (resid  15 and name  HD#)   3.295    1.495    1.495  
assign (resid  14 and name   HN)   (resid  14 and name  HG#)   3.240    1.440    1.440  
assign (resid  14 and name   HA)   (resid  14 and name  HG#)   2.575    0.775    0.775  
assign (resid  14 and name  HB#)   (resid  14 and name  HD#)   2.540    0.740    0.740  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.500    0.700    0.700  
assign (resid  15 and name   HN)   (resid  15 and name  HG#)   3.025    1.225    1.225  
assign (resid  15 and name   HA)   (resid  15 and name  HD#)   3.250    1.450    1.450  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.670    0.870    0.870  
!dihedral restraints
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0  -90.0   30.0 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  140.0   30.0 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -130.0   30.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  147.5   27.5 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -110.0   30.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  130.0   30.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0 -110.0   30.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0  130.0   30.0 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0 -100.0   30.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  130.0   30.0 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0 -130.0   20.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  150.0   20.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0 -125.0   25.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  120.0   30.0 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0   50.0   20.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0   41.0   19.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0   95.0   45.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  -10.0   30.0 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0 -100.0   30.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  130.0   30.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0 -130.0   30.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  140.0   30.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0 -120.0   30.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  140.0   30.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0 -100.0   30.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  120.0   30.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0 -110.0   30.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  130.0   20.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0 -135.0   20.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0  150.0   20.0 2
assign (resid 16    and name C    ) (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    )    1.0 -110.0   50.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0  140.0   30.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name SG   )    1.0  -60.0   30.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name CB   ) (resid 7     and name SG   )    1.0  -60.0   30.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name CB   ) (resid 12    and name SG   )    1.0  -60.0   30.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1          1HT       ARG   1  14.654   1.553  -1.061
    2    H2   ARG   1          2HT       ARG   1  13.554   2.741  -1.581
    3    H3   ARG   1          3HT       ARG   1  14.019   1.520  -2.621
    4    HA   ARG   1           HA       ARG   1  12.907  -0.123  -1.338
    5    HB2  ARG   1          2HB       ARG   1  13.273   1.013   0.855
    6    HB3  ARG   1          1HB       ARG   1  12.095   2.228   0.387
    7    HG2  ARG   1          2HG       ARG   1  10.377   0.454   0.277
    8    HG3  ARG   1          1HG       ARG   1  11.579  -0.699   0.867
    9    HD2  ARG   1          2HD       ARG   1  10.636   1.780   2.306
   10    HD3  ARG   1          1HD       ARG   1  10.174   0.130   2.687
   11    HE   ARG   1           HE       ARG   1  12.702  -0.159   3.006
   12   HH11  ARG   1          1HH1      ARG   1  10.968   2.829   3.814
   13   HH12  ARG   1          2HH1      ARG   1  11.924   3.152   5.191
   14   HH21  ARG   1          1HH2      ARG   1  13.996   0.324   4.881
   15   HH22  ARG   1          2HH2      ARG   1  13.665   1.708   5.810
   16    H    TRP   2           HN       TRP   2  11.286  -0.567  -2.751
   17    HA   TRP   2           HA       TRP   2   9.844   1.648  -3.884
   18    HB2  TRP   2          2HB       TRP   2  10.611  -0.157  -5.363
   19    HB3  TRP   2          1HB       TRP   2   9.637  -1.314  -4.466
   20    HD1  TRP   2          1HD       TRP   2   8.863   2.061  -6.260
   21    HE1  TRP   2          1HE       TRP   2   6.707   1.745  -7.635
   22    HE3  TRP   2          3HE       TRP   2   7.896  -2.821  -5.130
   23    HZ2  TRP   2          2HZ       TRP   2   4.860  -0.315  -8.183
   24    HZ3  TRP   2          3HZ       TRP   2   5.920  -3.896  -6.130
   25    HH2  TRP   2          2HH       TRP   2   4.442  -2.666  -7.623
   26    H    CYS   3           HN       CYS   3   8.125   2.436  -3.021
   27    HA   CYS   3           HA       CYS   3   6.329   0.717  -1.459
   28    HB2  CYS   3          2HB       CYS   3   7.006   3.635  -1.056
   29    HB3  CYS   3          1HB       CYS   3   5.745   2.761  -0.198
   30    H    PHE   4           HN       PHE   4   4.225   0.848  -1.862
   31    HA   PHE   4           HA       PHE   4   3.288   2.869  -3.703
   32    HB2  PHE   4          2HB       PHE   4   2.079   1.150  -5.036
   33    HB3  PHE   4          1HB       PHE   4   3.833   0.958  -5.072
   34    HD1  PHE   4          1HD       PHE   4   0.692  -0.483  -3.884
   35    HD2  PHE   4          2HD       PHE   4   4.903  -0.970  -4.129
   36    HE1  PHE   4          1HE       PHE   4   0.438  -2.821  -3.242
   37    HE2  PHE   4          2HE       PHE   4   4.675  -3.336  -3.489
   38    HZ   PHE   4           HZ       PHE   4   2.450  -4.278  -3.047
   39    H    ARG   5           HN       ARG   5   1.002   3.188  -3.548
   40    HA   ARG   5           HA       ARG   5   0.056   2.519  -0.853
   41    HB2  ARG   5          2HB       ARG   5   0.421   4.946  -1.614
   42    HB3  ARG   5          1HB       ARG   5  -0.977   4.700  -2.650
   43    HG2  ARG   5          2HG       ARG   5  -2.350   4.241  -0.691
   44    HG3  ARG   5          1HG       ARG   5  -0.947   4.510   0.347
   45    HD2  ARG   5          2HD       ARG   5  -0.751   6.798  -0.660
   46    HD3  ARG   5          1HD       ARG   5  -2.289   6.501  -1.472
   47    HE   ARG   5           HE       ARG   5  -2.065   6.315   1.433
   48   HH11  ARG   5          1HH1      ARG   5  -3.508   7.906  -1.399
   49   HH12  ARG   5          2HH1      ARG   5  -4.636   8.799  -0.504
   50   HH21  ARG   5          1HH2      ARG   5  -3.635   7.598   2.666
   51   HH22  ARG   5          2HH2      ARG   5  -4.691   8.635   1.840
   52    H    VAL   6           HN       VAL   6  -1.703   1.299  -0.655
   53    HA   VAL   6           HA       VAL   6  -3.343   0.773  -3.046
   54    HB   VAL   6           HB       VAL   6  -2.772  -1.157  -0.751
   55   HG11  VAL   6          1HG1      VAL   6  -4.964  -1.478  -1.746
   56   HG12  VAL   6          2HG1      VAL   6  -3.888  -2.822  -2.136
   57   HG13  VAL   6          3HG1      VAL   6  -4.232  -1.587  -3.348
   58   HG21  VAL   6          1HG2      VAL   6  -1.759  -1.282  -3.573
   59   HG22  VAL   6          2HG2      VAL   6  -1.491  -2.471  -2.297
   60   HG23  VAL   6          3HG2      VAL   6  -0.806  -0.852  -2.155
   61    H    CYS   7           HN       CYS   7  -5.525   1.117  -2.734
   62    HA   CYS   7           HA       CYS   7  -6.314   1.720   0.014
   63    HB2  CYS   7          2HB       CYS   7  -7.510   2.702  -2.586
   64    HB3  CYS   7          1HB       CYS   7  -8.142   3.058  -0.981
   65    H    TYR   8           HN       TYR   8  -7.707   0.507   0.946
   66    HA   TYR   8           HA       TYR   8  -9.295  -1.391  -0.638
   67    HB2  TYR   8          2HB       TYR   8  -7.456  -2.537   0.567
   68    HB3  TYR   8          1HB       TYR   8  -7.988  -1.742   2.050
   69    HD1  TYR   8          1HD       TYR   8  -9.613  -2.663   3.410
   70    HD2  TYR   8          2HD       TYR   8  -9.047  -4.251  -0.487
   71    HE1  TYR   8          1HE       TYR   8 -11.093  -4.498   3.963
   72    HE2  TYR   8          2HE       TYR   8 -10.540  -6.119   0.057
   73    HH   TYR   8           HH       TYR   8 -11.373  -7.273   2.001
   74    H    ARG   9           HN       ARG   9 -11.257  -0.445  -0.548
   75    HA   ARG   9           HA       ARG   9 -13.267   0.266   0.253
   76    HB2  ARG   9          2HB       ARG   9 -12.314  -0.973   2.845
   77    HB3  ARG   9          1HB       ARG   9 -13.962  -0.480   2.515
   78    HG2  ARG   9          2HG       ARG   9 -12.433  -2.678   1.127
   79    HG3  ARG   9          1HG       ARG   9 -13.720  -2.881   2.311
   80    HD2  ARG   9          2HD       ARG   9 -13.974  -1.665  -0.439
   81    HD3  ARG   9          1HD       ARG   9 -14.580  -3.236   0.072
   82    HE   ARG   9           HE       ARG   9 -15.619  -1.104   1.657
   83   HH11  ARG   9          1HH1      ARG   9 -16.043  -2.752  -1.439
   84   HH12  ARG   9          2HH1      ARG   9 -17.685  -2.328  -1.581
   85   HH21  ARG   9          1HH2      ARG   9 -17.861  -0.515   1.426
   86   HH22  ARG   9          2HH2      ARG   9 -18.730  -1.070   0.075
   87    H    GLY  10           HN       GLY  10 -10.795   1.954   0.598
   88    HA2  GLY  10          2HA       GLY  10 -10.995   4.295   1.126
   89    HA3  GLY  10          1HA       GLY  10 -11.951   3.846   2.539
   90    H    ILE  11           HN       ILE  11  -9.958   1.568   2.938
   91    HA   ILE  11           HA       ILE  11  -8.201   3.091   4.621
   92    HB   ILE  11           HB       ILE  11  -8.283   0.083   4.122
   93   HG12  ILE  11          2HG1      ILE  11  -9.166  -0.004   6.523
   94   HG13  ILE  11          1HG1      ILE  11  -9.476   1.719   6.382
   95   HG21  ILE  11          1HG2      ILE  11  -6.092   0.829   4.846
   96   HG22  ILE  11          2HG2      ILE  11  -6.873  -0.162   6.077
   97   HG23  ILE  11          3HG2      ILE  11  -6.811   1.593   6.265
   98   HD11  ILE  11          1HD1      ILE  11 -11.484   0.367   6.031
   99   HD12  ILE  11          2HD1      ILE  11 -10.679  -0.440   4.670
  100   HD13  ILE  11          3HD1      ILE  11 -11.050   1.277   4.580
  101    H    CYS  12           HN       CYS  12  -6.618   4.078   3.562
  102    HA   CYS  12           HA       CYS  12  -5.322   2.645   1.373
  103    HB2  CYS  12          2HB       CYS  12  -5.116   5.556   2.145
  104    HB3  CYS  12          1HB       CYS  12  -4.313   4.788   0.779
  105    H    TYR  13           HN       TYR  13  -3.671   1.565   1.839
  106    HA   TYR  13           HA       TYR  13  -1.945   2.480   3.996
  107    HB2  TYR  13          2HB       TYR  13  -1.412   0.029   4.361
  108    HB3  TYR  13          1HB       TYR  13  -3.033   0.527   4.826
  109    HD1  TYR  13          1HD       TYR  13  -4.945  -0.457   3.812
  110    HD2  TYR  13          2HD       TYR  13  -1.082  -1.235   2.233
  111    HE1  TYR  13          1HE       TYR  13  -5.890  -2.203   2.402
  112    HE2  TYR  13          2HE       TYR  13  -2.004  -2.966   0.816
  113    HH   TYR  13           HH       TYR  13  -5.328  -3.396   0.280
  114    H    ARG  14           HN       ARG  14   0.306   1.605   3.741
  115    HA   ARG  14           HA       ARG  14   1.001   1.726   0.895
  116    HB2  ARG  14          2HB       ARG  14   1.610   3.731   2.134
  117    HB3  ARG  14          1HB       ARG  14   2.490   2.754   3.296
  118    HG2  ARG  14          2HG       ARG  14   4.038   2.068   1.531
  119    HG3  ARG  14          1HG       ARG  14   3.167   3.093   0.389
  120    HD2  ARG  14          2HD       ARG  14   5.126   4.253   1.204
  121    HD3  ARG  14          1HD       ARG  14   3.666   5.042   1.796
  122    HE   ARG  14           HE       ARG  14   4.261   3.436   3.842
  123   HH11  ARG  14          1HH1      ARG  14   6.292   5.681   1.987
  124   HH12  ARG  14          2HH1      ARG  14   7.369   5.969   3.269
  125   HH21  ARG  14          1HH2      ARG  14   5.708   3.901   5.610
  126   HH22  ARG  14          2HH2      ARG  14   7.032   4.959   5.361
  127    H    LYS  15           HN       LYS  15   1.872  -0.080   0.153
  128    HA   LYS  15           HA       LYS  15   3.152  -1.918   2.031
  129    HB2  LYS  15          2HB       LYS  15   2.413  -2.305  -0.883
  130    HB3  LYS  15          1HB       LYS  15   3.229  -3.498   0.102
  131    HG2  LYS  15          2HG       LYS  15   1.211  -3.604   1.552
  132    HG3  LYS  15          1HG       LYS  15   0.399  -2.499   0.431
  133    HD2  LYS  15          2HD       LYS  15   0.803  -4.098  -1.408
  134    HD3  LYS  15          1HD       LYS  15   1.569  -5.194  -0.267
  135    HE2  LYS  15          2HE       LYS  15  -1.335  -4.337  -0.255
  136    HE3  LYS  15          1HE       LYS  15  -0.698  -5.867  -0.795
  137    HZ1  LYS  15          1HZ       LYS  15  -0.503  -4.905   2.023
  138    HZ2  LYS  15          2HZ       LYS  15   0.032  -6.390   1.429
  139    HZ3  LYS  15          3HZ       LYS  15  -1.590  -6.049   1.440
  140    H    CYS  16           HN       CYS  16   5.310  -2.371   1.862
  141    HA   CYS  16           HA       CYS  16   6.845  -1.003  -0.219
  142    HB2  CYS  16          2HB       CYS  16   7.444  -1.014   2.742
  143    HB3  CYS  16          1HB       CYS  16   8.546  -0.466   1.490
  144    H    ARG  17           HN       ARG  17   8.255  -2.367  -1.129
  145    HA   ARG  17           HA       ARG  17   8.888  -4.721   0.449
  146    HB2  ARG  17          2HB       ARG  17   9.497  -5.923  -1.588
  147    HB3  ARG  17          1HB       ARG  17   7.862  -5.314  -1.707
  148    HG2  ARG  17          2HG       ARG  17   8.550  -3.607  -3.235
  149    HG3  ARG  17          1HG       ARG  17  10.251  -4.008  -2.991
  150    HD2  ARG  17          2HD       ARG  17   9.629  -6.358  -3.780
  151    HD3  ARG  17          1HD       ARG  17   8.121  -5.643  -4.340
  152    HE   ARG  17           HE       ARG  17   9.729  -4.079  -5.610
  153   HH11  ARG  17          1HH1      ARG  17  10.309  -7.556  -5.021
  154   HH12  ARG  17          2HH1      ARG  17  11.258  -7.754  -6.403
  155   HH21  ARG  17          1HH2      ARG  17  11.038  -4.417  -7.519
  156   HH22  ARG  17          2HH2      ARG  17  11.696  -5.951  -7.848
  157    HN1  NH2  18          1H        ARG  17  10.592  -4.454   1.566
  158    HN2  NH2  18          2H        ARG  17  12.036  -3.637   1.078
  Start of MODEL    2
    1    H1   ARG   1          1HT       ARG   1  14.157   0.051  -2.945
    2    H2   ARG   1          2HT       ARG   1  13.209  -1.325  -3.028
    3    H3   ARG   1          3HT       ARG   1  14.349  -1.163  -1.789
    4    HA   ARG   1           HA       ARG   1  12.107  -0.779  -1.009
    5    HB2  ARG   1          2HB       ARG   1  13.919   0.390   0.126
    6    HB3  ARG   1          1HB       ARG   1  13.907   1.656  -1.087
    7    HG2  ARG   1          2HG       ARG   1  11.713   2.379  -0.296
    8    HG3  ARG   1          1HG       ARG   1  11.703   1.078   0.894
    9    HD2  ARG   1          2HD       ARG   1  13.734   3.300   0.742
   10    HD3  ARG   1          1HD       ARG   1  12.390   3.223   1.879
   11    HE   ARG   1           HE       ARG   1  13.471   1.074   2.648
   12   HH11  ARG   1          1HH1      ARG   1  15.443   3.692   1.290
   13   HH12  ARG   1          2HH1      ARG   1  16.798   3.328   2.251
   14   HH21  ARG   1          1HH2      ARG   1  15.310   0.605   3.935
   15   HH22  ARG   1          2HH2      ARG   1  16.737   1.535   3.805
   16    H    TRP   2           HN       TRP   2  10.438  -0.858  -2.470
   17    HA   TRP   2           HA       TRP   2   9.842   1.715  -3.722
   18    HB2  TRP   2          2HB       TRP   2  10.325  -0.131  -5.356
   19    HB3  TRP   2          1HB       TRP   2   8.954  -1.010  -4.691
   20    HD1  TRP   2          1HD       TRP   2   9.618   2.433  -6.320
   21    HE1  TRP   2          1HE       TRP   2   7.584   3.029  -7.776
   22    HE3  TRP   2          3HE       TRP   2   6.722  -1.577  -5.290
   23    HZ2  TRP   2          2HZ       TRP   2   5.083   1.921  -8.422
   24    HZ3  TRP   2          3HZ       TRP   2   4.498  -1.764  -6.378
   25    HH2  TRP   2          2HH       TRP   2   3.711  -0.041  -7.906
   26    H    CYS   3           HN       CYS   3   8.156   2.665  -2.875
   27    HA   CYS   3           HA       CYS   3   6.333   1.049  -1.258
   28    HB2  CYS   3          2HB       CYS   3   7.006   3.981  -1.102
   29    HB3  CYS   3          1HB       CYS   3   5.819   3.164  -0.088
   30    H    PHE   4           HN       PHE   4   4.272   1.032  -1.627
   31    HA   PHE   4           HA       PHE   4   3.184   2.881  -3.549
   32    HB2  PHE   4          2HB       PHE   4   2.036   1.023  -4.732
   33    HB3  PHE   4          1HB       PHE   4   3.794   0.944  -4.834
   34    HD1  PHE   4          1HD       PHE   4   0.798  -0.731  -3.748
   35    HD2  PHE   4          2HD       PHE   4   5.036  -0.762  -3.531
   36    HE1  PHE   4          1HE       PHE   4   0.733  -3.049  -3.002
   37    HE2  PHE   4          2HE       PHE   4   4.984  -3.106  -2.786
   38    HZ   PHE   4           HZ       PHE   4   2.841  -4.257  -2.536
   39    H    ARG   5           HN       ARG   5   0.928   3.133  -3.322
   40    HA   ARG   5           HA       ARG   5   0.094   2.437  -0.607
   41    HB2  ARG   5          2HB       ARG   5   0.377   4.858  -1.308
   42    HB3  ARG   5          1HB       ARG   5  -1.013   4.622  -2.354
   43    HG2  ARG   5          2HG       ARG   5  -2.388   4.088  -0.419
   44    HG3  ARG   5          1HG       ARG   5  -0.990   4.303   0.638
   45    HD2  ARG   5          2HD       ARG   5  -0.788   6.627  -0.250
   46    HD3  ARG   5          1HD       ARG   5  -2.317   6.376  -1.082
   47    HE   ARG   5           HE       ARG   5  -2.170   6.008   1.810
   48   HH11  ARG   5          1HH1      ARG   5  -3.514   7.775  -0.942
   49   HH12  ARG   5          2HH1      ARG   5  -4.531   8.746   0.004
   50   HH21  ARG   5          1HH2      ARG   5  -3.554   7.318   3.099
   51   HH22  ARG   5          2HH2      ARG   5  -4.546   8.497   2.373
   52    H    VAL   6           HN       VAL   6  -1.438   1.012  -0.408
   53    HA   VAL   6           HA       VAL   6  -3.129   0.418  -2.721
   54    HB   VAL   6           HB       VAL   6  -2.339  -1.377  -0.382
   55   HG11  VAL   6          1HG1      VAL   6  -4.682  -1.798  -0.992
   56   HG12  VAL   6          2HG1      VAL   6  -3.653  -3.147  -1.472
   57   HG13  VAL   6          3HG1      VAL   6  -4.213  -1.991  -2.680
   58   HG21  VAL   6          1HG2      VAL   6  -1.805  -1.584  -3.333
   59   HG22  VAL   6          2HG2      VAL   6  -1.350  -2.773  -2.113
   60   HG23  VAL   6          3HG2      VAL   6  -0.637  -1.159  -2.078
   61    H    CYS   7           HN       CYS   7  -5.238   0.721  -2.541
   62    HA   CYS   7           HA       CYS   7  -6.269   1.431   0.087
   63    HB2  CYS   7          2HB       CYS   7  -7.116   2.438  -2.636
   64    HB3  CYS   7          1HB       CYS   7  -7.939   2.808  -1.125
   65    H    TYR   8           HN       TYR   8  -7.786   0.265   0.851
   66    HA   TYR   8           HA       TYR   8  -9.320  -1.522  -0.896
   67    HB2  TYR   8          2HB       TYR   8  -7.735  -2.821   0.440
   68    HB3  TYR   8          1HB       TYR   8  -8.266  -1.986   1.897
   69    HD1  TYR   8          1HD       TYR   8  -9.924  -2.961   3.237
   70    HD2  TYR   8          2HD       TYR   8  -9.559  -4.213  -0.814
   71    HE1  TYR   8          1HE       TYR   8 -11.590  -4.713   3.635
   72    HE2  TYR   8          2HE       TYR   8 -11.215  -5.968  -0.427
   73    HH   TYR   8           HH       TYR   8 -12.140  -7.252   1.434
   74    H    ARG   9           HN       ARG   9 -11.089  -0.274  -1.057
   75    HA   ARG   9           HA       ARG   9 -13.070   0.691  -0.583
   76    HB2  ARG   9          2HB       ARG   9 -12.953  -0.908   1.979
   77    HB3  ARG   9          1HB       ARG   9 -14.393  -0.221   1.249
   78    HG2  ARG   9          2HG       ARG   9 -13.878  -1.719  -0.765
   79    HG3  ARG   9          1HG       ARG   9 -12.720  -2.512   0.287
   80    HD2  ARG   9          2HD       ARG   9 -15.684  -2.269   0.762
   81    HD3  ARG   9          1HD       ARG   9 -14.800  -3.730   0.339
   82    HE   ARG   9           HE       ARG   9 -13.946  -2.438   2.772
   83   HH11  ARG   9          1HH1      ARG   9 -16.176  -4.825   1.407
   84   HH12  ARG   9          2HH1      ARG   9 -16.319  -5.723   2.843
   85   HH21  ARG   9          1HH2      ARG   9 -14.183  -3.601   4.735
   86   HH22  ARG   9          2HH2      ARG   9 -15.168  -4.989   4.818
   87    H    GLY  10           HN       GLY  10 -10.718   2.115   0.249
   88    HA2  GLY  10          2HA       GLY  10 -10.880   4.377   1.115
   89    HA3  GLY  10          1HA       GLY  10 -11.990   3.767   2.331
   90    H    ILE  11           HN       ILE  11 -10.053   1.375   2.618
   91    HA   ILE  11           HA       ILE  11  -8.379   2.669   4.582
   92    HB   ILE  11           HB       ILE  11  -8.599  -0.282   3.825
   93   HG12  ILE  11          2HG1      ILE  11  -9.603  -0.537   6.124
   94   HG13  ILE  11          1HG1      ILE  11  -9.711   1.215   6.222
   95   HG21  ILE  11          1HG2      ILE  11  -7.302  -0.769   5.844
   96   HG22  ILE  11          2HG2      ILE  11  -7.060   0.960   6.091
   97   HG23  ILE  11          3HG2      ILE  11  -6.390   0.171   4.663
   98   HD11  ILE  11          1HD1      ILE  11 -11.247   1.189   4.319
   99   HD12  ILE  11          2HD1      ILE  11 -11.839   0.194   5.651
  100   HD13  ILE  11          3HD1      ILE  11 -11.099  -0.563   4.238
  101    H    CYS  12           HN       CYS  12  -6.709   3.716   3.668
  102    HA   CYS  12           HA       CYS  12  -5.251   2.298   1.581
  103    HB2  CYS  12          2HB       CYS  12  -5.139   5.227   2.335
  104    HB3  CYS  12          1HB       CYS  12  -4.237   4.450   1.040
  105    H    TYR  13           HN       TYR  13  -3.226   1.684   1.902
  106    HA   TYR  13           HA       TYR  13  -1.775   2.712   4.197
  107    HB2  TYR  13          2HB       TYR  13  -1.036   0.391   4.772
  108    HB3  TYR  13          1HB       TYR  13  -2.748   0.661   5.054
  109    HD1  TYR  13          1HD       TYR  13  -4.417  -0.361   3.529
  110    HD2  TYR  13          2HD       TYR  13  -0.261  -1.240   3.192
  111    HE1  TYR  13          1HE       TYR  13  -4.954  -2.333   2.208
  112    HE2  TYR  13          2HE       TYR  13  -0.775  -3.212   1.863
  113    HH   TYR  13           HH       TYR  13  -2.708  -4.758   1.577
  114    H    ARG  14           HN       ARG  14   0.502   2.514   3.945
  115    HA   ARG  14           HA       ARG  14   1.184   2.262   1.123
  116    HB2  ARG  14          2HB       ARG  14   1.704   4.423   2.275
  117    HB3  ARG  14          1HB       ARG  14   2.807   3.537   3.322
  118    HG2  ARG  14          2HG       ARG  14   4.142   2.893   1.408
  119    HG3  ARG  14          1HG       ARG  14   3.030   3.734   0.332
  120    HD2  ARG  14          2HD       ARG  14   4.947   5.101   0.703
  121    HD3  ARG  14          1HD       ARG  14   3.569   5.850   1.508
  122    HE   ARG  14           HE       ARG  14   4.533   4.689   3.566
  123   HH11  ARG  14          1HH1      ARG  14   6.494   6.023   0.907
  124   HH12  ARG  14          2HH1      ARG  14   7.875   6.302   1.839
  125   HH21  ARG  14          1HH2      ARG  14   6.420   5.113   4.898
  126   HH22  ARG  14          2HH2      ARG  14   7.824   5.780   4.211
  127    H    LYS  15           HN       LYS  15   2.036   0.475   0.543
  128    HA   LYS  15           HA       LYS  15   3.357  -1.218   2.515
  129    HB2  LYS  15          2HB       LYS  15   1.402  -2.146   1.278
  130    HB3  LYS  15          1HB       LYS  15   2.259  -1.875  -0.228
  131    HG2  LYS  15          2HG       LYS  15   3.986  -3.475   0.484
  132    HG3  LYS  15          1HG       LYS  15   3.079  -3.729   1.982
  133    HD2  LYS  15          2HD       LYS  15   1.217  -4.619   0.793
  134    HD3  LYS  15          1HD       LYS  15   1.936  -4.221  -0.763
  135    HE2  LYS  15          2HE       LYS  15   3.791  -5.793  -0.245
  136    HE3  LYS  15          1HE       LYS  15   2.956  -6.236   1.245
  137    HZ1  LYS  15          1HZ       LYS  15   1.093  -6.991  -0.109
  138    HZ2  LYS  15          2HZ       LYS  15   2.491  -7.826  -0.497
  139    HZ3  LYS  15          3HZ       LYS  15   1.931  -6.611  -1.516
  140    H    CYS  16           HN       CYS  16   5.489  -1.601   2.311
  141    HA   CYS  16           HA       CYS  16   6.769  -0.491  -0.075
  142    HB2  CYS  16          2HB       CYS  16   7.815  -0.552   2.761
  143    HB3  CYS  16          1HB       CYS  16   8.725  -0.016   1.355
  144    H    ARG  17           HN       ARG  17   7.949  -1.780  -1.223
  145    HA   ARG  17           HA       ARG  17   8.794  -4.285  -0.008
  146    HB2  ARG  17          2HB       ARG  17   8.668  -5.364  -2.252
  147    HB3  ARG  17          1HB       ARG  17   7.114  -4.864  -1.623
  148    HG2  ARG  17          2HG       ARG  17   7.090  -2.973  -3.157
  149    HG3  ARG  17          1HG       ARG  17   8.700  -3.412  -3.736
  150    HD2  ARG  17          2HD       ARG  17   7.875  -5.551  -4.521
  151    HD3  ARG  17          1HD       ARG  17   6.268  -5.193  -3.895
  152    HE   ARG  17           HE       ARG  17   6.422  -3.237  -5.546
  153   HH11  ARG  17          1HH1      ARG  17   7.692  -6.496  -6.111
  154   HH12  ARG  17          2HH1      ARG  17   7.539  -6.415  -7.800
  155   HH21  ARG  17          1HH2      ARG  17   6.182  -3.132  -7.916
  156   HH22  ARG  17          2HH2      ARG  17   6.673  -4.483  -8.822
  157    HN1  NH2  18          1H        ARG  17  10.804  -4.298   0.354
  158    HN2  NH2  18          2H        ARG  17  12.027  -3.495  -0.561
  Start of MODEL    3
    1    H1   ARG   1          1HT       ARG   1  12.788  -2.450  -4.350
    2    H2   ARG   1          2HT       ARG   1  11.843  -1.200  -4.979
    3    H3   ARG   1          3HT       ARG   1  11.334  -2.072  -3.636
    4    HA   ARG   1           HA       ARG   1  13.083  -1.276  -2.268
    5    HB2  ARG   1          2HB       ARG   1  14.682  -0.944  -4.206
    6    HB3  ARG   1          1HB       ARG   1  13.799   0.525  -4.594
    7    HG2  ARG   1          2HG       ARG   1  14.336   1.242  -2.184
    8    HG3  ARG   1          1HG       ARG   1  15.530  -0.054  -2.210
    9    HD2  ARG   1          2HD       ARG   1  16.638   1.962  -2.842
   10    HD3  ARG   1          1HD       ARG   1  16.450   0.976  -4.296
   11    HE   ARG   1           HE       ARG   1  14.451   3.017  -3.703
   12   HH11  ARG   1          1HH1      ARG   1  17.131   1.934  -5.781
   13   HH12  ARG   1          2HH1      ARG   1  16.838   3.086  -6.988
   14   HH21  ARG   1          1HH2      ARG   1  14.071   4.618  -5.351
   15   HH22  ARG   1          2HH2      ARG   1  15.036   4.651  -6.739
   16    H    TRP   2           HN       TRP   2  10.404  -0.289  -4.008
   17    HA   TRP   2           HA       TRP   2  10.400   2.396  -2.885
   18    HB2  TRP   2          2HB       TRP   2   8.810   1.183  -5.151
   19    HB3  TRP   2          1HB       TRP   2   8.561   2.804  -4.521
   20    HD1  TRP   2          1HD       TRP   2  10.301   4.660  -5.235
   21    HE1  TRP   2          1HE       TRP   2  12.107   4.758  -7.060
   22    HE3  TRP   2          3HE       TRP   2  10.566  -0.305  -6.402
   23    HZ2  TRP   2          2HZ       TRP   2  13.469   2.974  -8.753
   24    HZ3  TRP   2          3HZ       TRP   2  12.163  -1.025  -8.133
   25    HH2  TRP   2          2HH       TRP   2  13.576   0.590  -9.282
   26    H    CYS   3           HN       CYS   3   8.243   3.162  -2.240
   27    HA   CYS   3           HA       CYS   3   6.689   1.049  -0.964
   28    HB2  CYS   3          2HB       CYS   3   6.923   3.991  -0.269
   29    HB3  CYS   3          1HB       CYS   3   5.870   2.842   0.552
   30    H    PHE   4           HN       PHE   4   4.498   1.098  -1.260
   31    HA   PHE   4           HA       PHE   4   3.451   2.982  -3.206
   32    HB2  PHE   4          2HB       PHE   4   2.402   1.123  -4.474
   33    HB3  PHE   4          1HB       PHE   4   4.159   1.044  -4.519
   34    HD1  PHE   4          1HD       PHE   4   5.350  -0.685  -3.189
   35    HD2  PHE   4          2HD       PHE   4   1.110  -0.611  -3.516
   36    HE1  PHE   4          1HE       PHE   4   5.252  -3.013  -2.406
   37    HE2  PHE   4          2HE       PHE   4   0.990  -2.909  -2.730
   38    HZ   PHE   4           HZ       PHE   4   3.079  -4.136  -2.171
   39    H    ARG   5           HN       ARG   5   1.138   3.115  -3.079
   40    HA   ARG   5           HA       ARG   5   0.223   2.220  -0.451
   41    HB2  ARG   5          2HB       ARG   5   0.446   4.718  -1.017
   42    HB3  ARG   5          1HB       ARG   5  -0.974   4.482  -2.025
   43    HG2  ARG   5          2HG       ARG   5  -2.252   3.782  -0.105
   44    HG3  ARG   5          1HG       ARG   5  -0.822   3.910   0.918
   45    HD2  ARG   5          2HD       ARG   5  -0.714   6.343   0.206
   46    HD3  ARG   5          1HD       ARG   5  -2.338   6.100  -0.454
   47    HE   ARG   5           HE       ARG   5  -1.932   5.305   2.287
   48   HH11  ARG   5          1HH1      ARG   5  -3.111   7.878   0.139
   49   HH12  ARG   5          2HH1      ARG   5  -3.992   8.658   1.368
   50   HH21  ARG   5          1HH2      ARG   5  -3.119   6.362   3.917
   51   HH22  ARG   5          2HH2      ARG   5  -4.011   7.767   3.570
   52    H    VAL   6           HN       VAL   6  -1.571   1.061  -0.281
   53    HA   VAL   6           HA       VAL   6  -3.010   0.399  -2.750
   54    HB   VAL   6           HB       VAL   6  -2.380  -1.402  -0.364
   55   HG11  VAL   6          1HG1      VAL   6  -3.556  -3.179  -1.570
   56   HG12  VAL   6          2HG1      VAL   6  -4.009  -2.027  -2.826
   57   HG13  VAL   6          3HG1      VAL   6  -4.650  -1.845  -1.193
   58   HG21  VAL   6          1HG2      VAL   6  -0.528  -1.150  -1.890
   59   HG22  VAL   6          2HG2      VAL   6  -1.564  -1.569  -3.250
   60   HG23  VAL   6          3HG2      VAL   6  -1.210  -2.772  -2.009
   61    H    CYS   7           HN       CYS   7  -5.171   0.659  -2.687
   62    HA   CYS   7           HA       CYS   7  -6.315   1.460  -0.120
   63    HB2  CYS   7          2HB       CYS   7  -7.058   2.355  -2.905
   64    HB3  CYS   7          1HB       CYS   7  -7.995   2.721  -1.460
   65    H    TYR   8           HN       TYR   8  -7.876   0.351   0.680
   66    HA   TYR   8           HA       TYR   8  -9.405  -1.452  -1.037
   67    HB2  TYR   8          2HB       TYR   8  -7.761  -2.743   0.270
   68    HB3  TYR   8          1HB       TYR   8  -8.355  -1.979   1.742
   69    HD1  TYR   8          1HD       TYR   8 -10.273  -2.837   2.871
   70    HD2  TYR   8          2HD       TYR   8  -9.264  -4.341  -0.976
   71    HE1  TYR   8          1HE       TYR   8 -11.901  -4.631   3.152
   72    HE2  TYR   8          2HE       TYR   8 -10.907  -6.138  -0.707
   73    HH   TYR   8           HH       TYR   8 -12.029  -7.326   1.166
   74    H    ARG   9           HN       ARG   9 -11.215  -0.253  -1.138
   75    HA   ARG   9           HA       ARG   9 -13.232   0.603  -0.589
   76    HB2  ARG   9          2HB       ARG   9 -12.898  -0.942   1.988
   77    HB3  ARG   9          1HB       ARG   9 -14.413  -0.334   1.336
   78    HG2  ARG   9          2HG       ARG   9 -13.995  -1.805  -0.684
   79    HG3  ARG   9          1HG       ARG   9 -12.652  -2.479   0.211
   80    HD2  ARG   9          2HD       ARG   9 -14.131  -3.209   1.982
   81    HD3  ARG   9          1HD       ARG   9 -15.517  -2.513   1.135
   82    HE   ARG   9           HE       ARG   9 -13.972  -4.400  -0.373
   83   HH11  ARG   9          1HH1      ARG   9 -16.670  -4.095   1.894
   84   HH12  ARG   9          2HH1      ARG   9 -17.485  -5.472   1.355
   85   HH21  ARG   9          1HH2      ARG   9 -15.075  -6.328  -1.124
   86   HH22  ARG   9          2HH2      ARG   9 -16.528  -6.801  -0.388
   87    H    GLY  10           HN       GLY  10 -10.794   2.063   0.308
   88    HA2  GLY  10          2HA       GLY  10 -11.039   4.378   1.068
   89    HA3  GLY  10          1HA       GLY  10 -12.107   3.772   2.332
   90    H    ILE  11           HN       ILE  11 -10.190   1.432   2.606
   91    HA   ILE  11           HA       ILE  11  -8.454   2.724   4.508
   92    HB   ILE  11           HB       ILE  11  -8.673  -0.234   3.776
   93   HG12  ILE  11          2HG1      ILE  11  -9.675  -0.455   6.106
   94   HG13  ILE  11          1HG1      ILE  11  -9.854   1.292   6.116
   95   HG21  ILE  11          1HG2      ILE  11  -6.480   0.356   4.659
   96   HG22  ILE  11          2HG2      ILE  11  -7.361  -0.704   5.759
   97   HG23  ILE  11          3HG2      ILE  11  -7.239   1.021   6.105
   98   HD11  ILE  11          1HD1      ILE  11 -11.929   0.157   5.573
   99   HD12  ILE  11          2HD1      ILE  11 -11.145  -0.624   4.191
  100   HD13  ILE  11          3HD1      ILE  11 -11.367   1.124   4.208
  101    H    CYS  12           HN       CYS  12  -6.827   3.756   3.560
  102    HA   CYS  12           HA       CYS  12  -5.396   2.352   1.434
  103    HB2  CYS  12          2HB       CYS  12  -5.410   5.302   2.108
  104    HB3  CYS  12          1HB       CYS  12  -4.431   4.554   0.852
  105    H    TYR  13           HN       TYR  13  -3.591   1.446   1.984
  106    HA   TYR  13           HA       TYR  13  -2.086   2.578   4.210
  107    HB2  TYR  13          2HB       TYR  13  -1.413   0.198   4.779
  108    HB3  TYR  13          1HB       TYR  13  -3.090   0.614   5.106
  109    HD1  TYR  13          1HD       TYR  13  -4.884  -0.428   3.867
  110    HD2  TYR  13          2HD       TYR  13  -0.844  -1.331   2.959
  111    HE1  TYR  13          1HE       TYR  13  -5.631  -2.342   2.535
  112    HE2  TYR  13          2HE       TYR  13  -1.558  -3.241   1.637
  113    HH   TYR  13           HH       TYR  13  -3.394  -4.677   1.310
  114    H    ARG  14           HN       ARG  14   0.152   2.362   4.118
  115    HA   ARG  14           HA       ARG  14   1.192   2.241   1.393
  116    HB2  ARG  14          2HB       ARG  14   1.649   4.263   2.736
  117    HB3  ARG  14          1HB       ARG  14   2.455   3.275   3.943
  118    HG2  ARG  14          2HG       ARG  14   4.087   2.594   2.161
  119    HG3  ARG  14          1HG       ARG  14   3.343   3.796   1.111
  120    HD2  ARG  14          2HD       ARG  14   5.326   4.726   2.144
  121    HD3  ARG  14          1HD       ARG  14   3.897   5.544   2.781
  122    HE   ARG  14           HE       ARG  14   4.220   3.710   4.632
  123   HH11  ARG  14          1HH1      ARG  14   6.770   5.663   3.108
  124   HH12  ARG  14          2HH1      ARG  14   7.768   5.656   4.472
  125   HH21  ARG  14          1HH2      ARG  14   5.594   3.671   6.455
  126   HH22  ARG  14          2HH2      ARG  14   7.104   4.466   6.448
  127    H    LYS  15           HN       LYS  15   2.240   0.494   0.752
  128    HA   LYS  15           HA       LYS  15   3.385  -1.302   2.768
  129    HB2  LYS  15          2HB       LYS  15   2.785  -1.868  -0.148
  130    HB3  LYS  15          1HB       LYS  15   3.360  -3.020   1.042
  131    HG2  LYS  15          2HG       LYS  15   1.230  -2.774   2.263
  132    HG3  LYS  15          1HG       LYS  15   0.665  -1.678   1.003
  133    HD2  LYS  15          2HD       LYS  15  -0.236  -3.851   0.457
  134    HD3  LYS  15          1HD       LYS  15   1.084  -3.530  -0.649
  135    HE2  LYS  15          2HE       LYS  15   2.575  -4.926   0.650
  136    HE3  LYS  15          1HE       LYS  15   1.318  -5.178   1.856
  137    HZ1  LYS  15          1HZ       LYS  15   1.462  -7.061   0.364
  138    HZ2  LYS  15          2HZ       LYS  15   1.238  -6.085  -0.968
  139    HZ3  LYS  15          3HZ       LYS  15  -0.017  -6.287   0.144
  140    H    CYS  16           HN       CYS  16   5.599  -1.866   2.459
  141    HA   CYS  16           HA       CYS  16   6.949  -0.395   0.333
  142    HB2  CYS  16          2HB       CYS  16   7.884  -0.818   3.177
  143    HB3  CYS  16          1HB       CYS  16   8.891  -0.174   1.886
  144    H    ARG  17           HN       ARG  17   8.239  -1.570  -0.933
  145    HA   ARG  17           HA       ARG  17   8.818  -4.275  -0.006
  146    HB2  ARG  17          2HB       ARG  17   6.960  -4.222  -1.687
  147    HB3  ARG  17          1HB       ARG  17   8.084  -3.526  -2.847
  148    HG2  ARG  17          2HG       ARG  17   7.851  -5.894  -3.249
  149    HG3  ARG  17          1HG       ARG  17   9.481  -5.553  -2.663
  150    HD2  ARG  17          2HD       ARG  17   8.801  -6.234  -0.396
  151    HD3  ARG  17          1HD       ARG  17   7.184  -6.590  -0.998
  152    HE   ARG  17           HE       ARG  17   8.906  -8.030  -2.542
  153   HH11  ARG  17          1HH1      ARG  17   8.134  -7.886   0.932
  154   HH12  ARG  17          2HH1      ARG  17   8.534  -9.514   1.220
  155   HH21  ARG  17          1HH2      ARG  17   9.423 -10.302  -2.100
  156   HH22  ARG  17          2HH2      ARG  17   9.277 -10.893  -0.508
  157    HN1  NH2  18          1H        ARG  17  10.920  -4.273   0.319
  158    HN2  NH2  18          2H        ARG  17  12.121  -3.565  -0.696
  Start of MODEL    4
    1    H1   ARG   1          1HT       ARG   1  14.329   2.015  -1.509
    2    H2   ARG   1          2HT       ARG   1  12.756   2.263  -0.932
    3    H3   ARG   1          3HT       ARG   1  13.215   2.928  -2.402
    4    HA   ARG   1           HA       ARG   1  13.441   0.820  -3.392
    5    HB2  ARG   1          2HB       ARG   1  12.483  -0.238  -0.703
    6    HB3  ARG   1          1HB       ARG   1  12.576  -1.184  -2.174
    7    HG2  ARG   1          2HG       ARG   1  14.956  -0.881  -2.295
    8    HG3  ARG   1          1HG       ARG   1  14.912   0.181  -0.896
    9    HD2  ARG   1          2HD       ARG   1  14.273  -1.595   0.534
   10    HD3  ARG   1          1HD       ARG   1  14.028  -2.694  -0.828
   11    HE   ARG   1           HE       ARG   1  16.489  -2.233  -1.246
   12   HH11  ARG   1          1HH1      ARG   1  15.080  -2.510   1.990
   13   HH12  ARG   1          2HH1      ARG   1  16.534  -2.988   2.726
   14   HH21  ARG   1          1HH2      ARG   1  18.449  -2.860  -0.263
   15   HH22  ARG   1          2HH2      ARG   1  18.518  -3.174   1.422
   16    H    TRP   2           HN       TRP   2  11.130  -0.817  -3.329
   17    HA   TRP   2           HA       TRP   2   9.349   1.190  -4.376
   18    HB2  TRP   2          2HB       TRP   2   9.927  -0.866  -5.659
   19    HB3  TRP   2          1HB       TRP   2   9.070  -1.814  -4.450
   20    HD1  TRP   2          1HD       TRP   2   6.502  -1.959  -4.669
   21    HE1  TRP   2          1HE       TRP   2   4.759  -1.043  -6.380
   22    HE3  TRP   2          3HE       TRP   2   9.513   1.241  -7.231
   23    HZ2  TRP   2          2HZ       TRP   2   4.717   0.788  -8.518
   24    HZ3  TRP   2          3HZ       TRP   2   8.560   2.538  -9.092
   25    HH2  TRP   2          2HH       TRP   2   6.219   2.312  -9.718
   26    H    CYS   3           HN       CYS   3   8.070   2.165  -3.058
   27    HA   CYS   3           HA       CYS   3   6.430   0.591  -1.219
   28    HB2  CYS   3          2HB       CYS   3   7.357   3.468  -0.991
   29    HB3  CYS   3          1HB       CYS   3   6.135   2.741   0.038
   30    H    PHE   4           HN       PHE   4   4.298   0.831  -1.417
   31    HA   PHE   4           HA       PHE   4   3.328   2.735  -3.389
   32    HB2  PHE   4          2HB       PHE   4   1.967   0.875  -4.411
   33    HB3  PHE   4          1HB       PHE   4   3.711   0.776  -4.655
   34    HD1  PHE   4          1HD       PHE   4   0.826  -0.751  -3.042
   35    HD2  PHE   4          2HD       PHE   4   5.012  -0.958  -3.636
   36    HE1  PHE   4          1HE       PHE   4   0.826  -3.053  -2.190
   37    HE2  PHE   4          2HE       PHE   4   5.035  -3.265  -2.792
   38    HZ   PHE   4           HZ       PHE   4   2.942  -4.322  -2.071
   39    H    ARG   5           HN       ARG   5   0.947   2.960  -3.302
   40    HA   ARG   5           HA       ARG   5   0.039   2.612  -0.525
   41    HB2  ARG   5          2HB       ARG   5   0.394   4.959  -1.343
   42    HB3  ARG   5          1HB       ARG   5  -0.844   4.662  -2.554
   43    HG2  ARG   5          2HG       ARG   5  -2.477   4.292  -0.767
   44    HG3  ARG   5          1HG       ARG   5  -1.234   4.719   0.416
   45    HD2  ARG   5          2HD       ARG   5  -0.964   6.908  -0.671
   46    HD3  ARG   5          1HD       ARG   5  -2.216   6.474  -1.829
   47    HE   ARG   5           HE       ARG   5  -2.736   6.598   1.040
   48   HH11  ARG   5          1HH1      ARG   5  -3.487   7.695  -2.250
   49   HH12  ARG   5          2HH1      ARG   5  -4.895   8.535  -1.822
   50   HH21  ARG   5          1HH2      ARG   5  -4.720   7.758   1.637
   51   HH22  ARG   5          2HH2      ARG   5  -5.634   8.536   0.431
   52    H    VAL   6           HN       VAL   6  -1.385   1.062  -0.382
   53    HA   VAL   6           HA       VAL   6  -3.073   0.405  -2.690
   54    HB   VAL   6           HB       VAL   6  -2.543  -1.203  -0.161
   55   HG11  VAL   6          1HG1      VAL   6  -4.796  -1.618  -1.032
   56   HG12  VAL   6          2HG1      VAL   6  -3.752  -3.021  -1.262
   57   HG13  VAL   6          3HG1      VAL   6  -4.117  -1.962  -2.625
   58   HG21  VAL   6          1HG2      VAL   6  -1.631  -1.626  -2.995
   59   HG22  VAL   6          2HG2      VAL   6  -1.390  -2.751  -1.657
   60   HG23  VAL   6          3HG2      VAL   6  -0.630  -1.157  -1.616
   61    H    CYS   7           HN       CYS   7  -5.092   1.057  -2.660
   62    HA   CYS   7           HA       CYS   7  -6.282   1.712  -0.074
   63    HB2  CYS   7          2HB       CYS   7  -6.921   2.752  -2.841
   64    HB3  CYS   7          1HB       CYS   7  -7.866   3.109  -1.399
   65    H    TYR   8           HN       TYR   8  -7.876   0.571   0.586
   66    HA   TYR   8           HA       TYR   8  -9.355  -1.120  -1.289
   67    HB2  TYR   8          2HB       TYR   8  -7.577  -2.469  -0.206
   68    HB3  TYR   8          1HB       TYR   8  -8.193  -1.949   1.363
   69    HD1  TYR   8          1HD       TYR   8  -8.887  -4.069  -1.587
   70    HD2  TYR   8          2HD       TYR   8 -10.144  -2.971   2.326
   71    HE1  TYR   8          1HE       TYR   8 -10.408  -5.993  -1.536
   72    HE2  TYR   8          2HE       TYR   8 -11.657  -4.880   2.387
   73    HH   TYR   8           HH       TYR   8 -11.539  -7.431   0.225
   74    H    ARG   9           HN       ARG   9 -11.205   0.012  -1.126
   75    HA   ARG   9           HA       ARG   9 -13.261   0.597  -0.337
   76    HB2  ARG   9          2HB       ARG   9 -12.565  -1.219   1.979
   77    HB3  ARG   9          1HB       ARG   9 -14.170  -0.609   1.612
   78    HG2  ARG   9          2HG       ARG   9 -12.529  -2.452  -0.115
   79    HG3  ARG   9          1HG       ARG   9 -13.912  -2.914   0.870
   80    HD2  ARG   9          2HD       ARG   9 -15.334  -1.412  -0.484
   81    HD3  ARG   9          1HD       ARG   9 -13.924  -1.022  -1.470
   82    HE   ARG   9           HE       ARG   9 -14.568  -3.811  -1.248
   83   HH11  ARG   9          1HH1      ARG   9 -14.865  -0.868  -3.229
   84   HH12  ARG   9          2HH1      ARG   9 -15.334  -1.724  -4.634
   85   HH21  ARG   9          1HH2      ARG   9 -15.177  -4.938  -3.208
   86   HH22  ARG   9          2HH2      ARG   9 -15.506  -4.062  -4.619
   87    H    GLY  10           HN       GLY  10 -10.858   2.113   0.463
   88    HA2  GLY  10          2HA       GLY  10 -11.226   4.323   1.399
   89    HA3  GLY  10          1HA       GLY  10 -12.104   3.542   2.710
   90    H    ILE  11           HN       ILE  11 -10.036   1.361   2.669
   91    HA   ILE  11           HA       ILE  11  -8.286   2.653   4.561
   92    HB   ILE  11           HB       ILE  11  -8.405  -0.257   3.696
   93   HG12  ILE  11          2HG1      ILE  11  -9.312  -0.605   6.080
   94   HG13  ILE  11          1HG1      ILE  11  -9.634   1.122   6.097
   95   HG21  ILE  11          1HG2      ILE  11  -6.902   0.980   5.987
   96   HG22  ILE  11          2HG2      ILE  11  -6.217   0.317   4.510
   97   HG23  ILE  11          3HG2      ILE  11  -7.027  -0.751   5.658
   98   HD11  ILE  11          1HD1      ILE  11 -10.787  -0.883   4.172
   99   HD12  ILE  11          2HD1      ILE  11 -11.167   0.840   4.218
  100   HD13  ILE  11          3HD1      ILE  11 -11.622  -0.201   5.572
  101    H    CYS  12           HN       CYS  12  -6.621   3.738   3.642
  102    HA   CYS  12           HA       CYS  12  -5.219   2.378   1.464
  103    HB2  CYS  12          2HB       CYS  12  -5.049   5.295   2.272
  104    HB3  CYS  12          1HB       CYS  12  -4.179   4.539   0.936
  105    H    TYR  13           HN       TYR  13  -3.296   1.578   1.838
  106    HA   TYR  13           HA       TYR  13  -1.813   2.598   4.113
  107    HB2  TYR  13          2HB       TYR  13  -1.073   0.265   4.659
  108    HB3  TYR  13          1HB       TYR  13  -2.765   0.593   4.977
  109    HD1  TYR  13          1HD       TYR  13  -0.400  -1.262   2.867
  110    HD2  TYR  13          2HD       TYR  13  -4.497  -0.551   3.734
  111    HE1  TYR  13          1HE       TYR  13  -1.006  -3.280   1.621
  112    HE2  TYR  13          2HE       TYR  13  -5.122  -2.558   2.486
  113    HH   TYR  13           HH       TYR  13  -4.202  -4.011   0.725
  114    H    ARG  14           HN       ARG  14   0.373   2.545   3.966
  115    HA   ARG  14           HA       ARG  14   1.364   2.398   1.233
  116    HB2  ARG  14          2HB       ARG  14   1.768   4.437   2.648
  117    HB3  ARG  14          1HB       ARG  14   2.736   3.444   3.724
  118    HG2  ARG  14          2HG       ARG  14   4.260   2.953   1.846
  119    HG3  ARG  14          1HG       ARG  14   3.304   4.030   0.828
  120    HD2  ARG  14          2HD       ARG  14   3.774   5.866   2.449
  121    HD3  ARG  14          1HD       ARG  14   4.859   4.767   3.305
  122    HE   ARG  14           HE       ARG  14   5.282   5.254   0.470
  123   HH11  ARG  14          1HH1      ARG  14   6.431   5.791   3.788
  124   HH12  ARG  14          2HH1      ARG  14   7.953   6.372   3.314
  125   HH21  ARG  14          1HH2      ARG  14   7.374   6.072  -0.169
  126   HH22  ARG  14          2HH2      ARG  14   8.509   6.521   0.993
  127    H    LYS  15           HN       LYS  15   2.130   0.505   0.694
  128    HA   LYS  15           HA       LYS  15   3.323  -1.208   2.761
  129    HB2  LYS  15          2HB       LYS  15   1.264  -2.035   1.575
  130    HB3  LYS  15          1HB       LYS  15   2.165  -1.973   0.071
  131    HG2  LYS  15          2HG       LYS  15   3.738  -3.627   0.963
  132    HG3  LYS  15          1HG       LYS  15   2.787  -3.696   2.450
  133    HD2  LYS  15          2HD       LYS  15   0.854  -4.471   1.199
  134    HD3  LYS  15          1HD       LYS  15   1.766  -4.374  -0.307
  135    HE2  LYS  15          2HE       LYS  15   3.374  -5.999   0.621
  136    HE3  LYS  15          1HE       LYS  15   2.349  -6.159   2.046
  137    HZ1  LYS  15          1HZ       LYS  15   1.927  -7.930   0.479
  138    HZ2  LYS  15          2HZ       LYS  15   1.608  -6.834  -0.739
  139    HZ3  LYS  15          3HZ       LYS  15   0.566  -6.946   0.581
  140    H    CYS  16           HN       CYS  16   5.386  -2.035   2.373
  141    HA   CYS  16           HA       CYS  16   6.715  -0.977  -0.014
  142    HB2  CYS  16          2HB       CYS  16   7.814  -1.156   2.790
  143    HB3  CYS  16          1HB       CYS  16   8.746  -0.712   1.369
  144    H    ARG  17           HN       ARG  17   8.280  -2.229  -0.942
  145    HA   ARG  17           HA       ARG  17   8.696  -4.866   0.203
  146    HB2  ARG  17          2HB       ARG  17   8.718  -5.866  -2.072
  147    HB3  ARG  17          1HB       ARG  17   7.152  -5.203  -1.654
  148    HG2  ARG  17          2HG       ARG  17   7.550  -3.277  -3.073
  149    HG3  ARG  17          1HG       ARG  17   9.186  -3.843  -3.414
  150    HD2  ARG  17          2HD       ARG  17   6.620  -5.256  -4.157
  151    HD3  ARG  17          1HD       ARG  17   7.684  -4.374  -5.253
  152    HE   ARG  17           HE       ARG  17   9.195  -6.315  -3.947
  153   HH11  ARG  17          1HH1      ARG  17   6.729  -6.121  -6.487
  154   HH12  ARG  17          2HH1      ARG  17   7.042  -7.661  -7.123
  155   HH21  ARG  17          1HH2      ARG  17   9.643  -8.417  -4.840
  156   HH22  ARG  17          2HH2      ARG  17   8.755  -8.992  -6.174
  157    HN1  NH2  18          1H        ARG  17  10.687  -4.939   0.805
  158    HN2  NH2  18          2H        ARG  17  12.044  -4.218   0.012
  Start of MODEL    5
    1    H1   ARG   1          1HT       ARG   1  11.695  -1.085  -0.629
    2    H2   ARG   1          2HT       ARG   1  13.284  -1.364  -1.139
    3    H3   ARG   1          3HT       ARG   1  12.104  -1.036  -2.261
    4    HA   ARG   1           HA       ARG   1  12.984   0.811  -0.127
    5    HB2  ARG   1          2HB       ARG   1  14.772   0.541  -1.765
    6    HB3  ARG   1          1HB       ARG   1  13.643   0.797  -3.083
    7    HG2  ARG   1          2HG       ARG   1  15.000   2.781  -2.727
    8    HG3  ARG   1          1HG       ARG   1  13.309   3.111  -2.364
    9    HD2  ARG   1          2HD       ARG   1  13.787   2.847   0.033
   10    HD3  ARG   1          1HD       ARG   1  15.487   2.556  -0.340
   11    HE   ARG   1           HE       ARG   1  14.603   4.982  -1.466
   12   HH11  ARG   1          1HH1      ARG   1  15.528   3.596   1.660
   13   HH12  ARG   1          2HH1      ARG   1  16.024   5.064   2.342
   14   HH21  ARG   1          1HH2      ARG   1  15.263   7.028  -0.496
   15   HH22  ARG   1          2HH2      ARG   1  15.831   7.077   1.099
   16    H    TRP   2           HN       TRP   2  11.164   0.446  -3.176
   17    HA   TRP   2           HA       TRP   2   9.876   2.963  -2.699
   18    HB2  TRP   2          2HB       TRP   2   9.476   0.955  -4.922
   19    HB3  TRP   2          1HB       TRP   2   8.884   2.613  -4.889
   20    HD1  TRP   2          1HD       TRP   2  12.031   0.571  -5.446
   21    HE1  TRP   2          1HE       TRP   2  13.858   2.058  -6.450
   22    HE3  TRP   2          3HE       TRP   2   9.696   5.091  -4.995
   23    HZ2  TRP   2          2HZ       TRP   2  14.260   4.806  -6.985
   24    HZ3  TRP   2          3HZ       TRP   2  10.877   7.104  -5.782
   25    HH2  TRP   2          2HH       TRP   2  13.110   6.959  -6.752
   26    H    CYS   3           HN       CYS   3   7.624   3.156  -2.441
   27    HA   CYS   3           HA       CYS   3   6.247   0.685  -1.672
   28    HB2  CYS   3          2HB       CYS   3   6.048   3.355  -0.281
   29    HB3  CYS   3          1HB       CYS   3   5.225   1.868   0.166
   30    H    PHE   4           HN       PHE   4   4.183   0.564  -2.228
   31    HA   PHE   4           HA       PHE   4   3.133   2.822  -3.717
   32    HB2  PHE   4          2HB       PHE   4   1.922   1.140  -5.147
   33    HB3  PHE   4          1HB       PHE   4   3.682   1.064  -5.234
   34    HD1  PHE   4          1HD       PHE   4   4.904  -0.856  -4.467
   35    HD2  PHE   4          2HD       PHE   4   0.677  -0.667  -4.107
   36    HE1  PHE   4          1HE       PHE   4   4.843  -3.271  -4.013
   37    HE2  PHE   4          2HE       PHE   4   0.598  -3.067  -3.642
   38    HZ   PHE   4           HZ       PHE   4   2.689  -4.386  -3.596
   39    H    ARG   5           HN       ARG   5   1.012   3.379  -3.324
   40    HA   ARG   5           HA       ARG   5   0.075   2.339  -0.773
   41    HB2  ARG   5          2HB       ARG   5   0.579   4.785  -1.090
   42    HB3  ARG   5          1HB       ARG   5  -0.764   4.841  -2.216
   43    HG2  ARG   5          2HG       ARG   5  -2.300   4.236  -0.428
   44    HG3  ARG   5          1HG       ARG   5  -0.951   4.155   0.709
   45    HD2  ARG   5          2HD       ARG   5  -0.433   6.523   0.201
   46    HD3  ARG   5          1HD       ARG   5  -1.858   6.577  -0.830
   47    HE   ARG   5           HE       ARG   5  -2.263   5.830   1.962
   48   HH11  ARG   5          1HH1      ARG   5  -2.473   8.346  -0.533
   49   HH12  ARG   5          2HH1      ARG   5  -3.435   9.380   0.403
   50   HH21  ARG   5          1HH2      ARG   5  -3.641   7.267   3.234
   51   HH22  ARG   5          2HH2      ARG   5  -4.113   8.754   2.550
   52    H    VAL   6           HN       VAL   6  -1.505   1.026  -0.757
   53    HA   VAL   6           HA       VAL   6  -3.264   0.762  -3.085
   54    HB   VAL   6           HB       VAL   6  -2.379  -1.282  -1.004
   55   HG11  VAL   6          1HG1      VAL   6  -4.397  -1.691  -3.217
   56   HG12  VAL   6          2HG1      VAL   6  -4.785  -1.615  -1.499
   57   HG13  VAL   6          3HG1      VAL   6  -3.784  -2.928  -2.119
   58   HG21  VAL   6          1HG2      VAL   6  -0.814  -0.890  -2.761
   59   HG22  VAL   6          2HG2      VAL   6  -2.067  -1.119  -3.983
   60   HG23  VAL   6          3HG2      VAL   6  -1.558  -2.475  -2.975
   61    H    CYS   7           HN       CYS   7  -5.463   0.774  -2.770
   62    HA   CYS   7           HA       CYS   7  -6.313   1.666  -0.124
   63    HB2  CYS   7          2HB       CYS   7  -7.531   2.186  -2.842
   64    HB3  CYS   7          1HB       CYS   7  -8.178   2.735  -1.298
   65    H    TYR   8           HN       TYR   8  -7.647   0.496   0.939
   66    HA   TYR   8           HA       TYR   8  -9.191  -1.607  -0.401
   67    HB2  TYR   8          2HB       TYR   8  -7.215  -2.585   0.744
   68    HB3  TYR   8          1HB       TYR   8  -7.721  -1.757   2.222
   69    HD1  TYR   8          1HD       TYR   8  -8.779  -4.365  -0.203
   70    HD2  TYR   8          2HD       TYR   8  -9.215  -2.767   3.707
   71    HE1  TYR   8          1HE       TYR   8 -10.126  -6.302   0.434
   72    HE2  TYR   8          2HE       TYR   8 -10.569  -4.698   4.358
   73    HH   TYR   8           HH       TYR   8 -11.978  -6.405   3.262
   74    H    ARG   9           HN       ARG   9 -11.181  -0.745  -0.220
   75    HA   ARG   9           HA       ARG   9 -13.163  -0.085   0.696
   76    HB2  ARG   9          2HB       ARG   9 -11.896  -1.202   3.204
   77    HB3  ARG   9          1HB       ARG   9 -13.556  -0.645   3.120
   78    HG2  ARG   9          2HG       ARG   9 -12.386  -2.907   1.515
   79    HG3  ARG   9          1HG       ARG   9 -13.387  -3.074   2.958
   80    HD2  ARG   9          2HD       ARG   9 -15.182  -1.822   1.771
   81    HD3  ARG   9          1HD       ARG   9 -14.189  -1.877   0.313
   82    HE   ARG   9           HE       ARG   9 -14.872  -4.371   1.639
   83   HH11  ARG   9          1HH1      ARG   9 -15.298  -2.227  -1.140
   84   HH12  ARG   9          2HH1      ARG   9 -16.234  -3.343  -2.020
   85   HH21  ARG   9          1HH2      ARG   9 -16.168  -5.913   0.407
   86   HH22  ARG   9          2HH2      ARG   9 -16.748  -5.463  -1.123
   87    H    GLY  10           HN       GLY  10 -10.839   1.779   0.671
   88    HA2  GLY  10          2HA       GLY  10 -11.211   4.132   1.113
   89    HA3  GLY  10          1HA       GLY  10 -11.889   3.661   2.664
   90    H    ILE  11           HN       ILE  11  -9.747   1.637   3.046
   91    HA   ILE  11           HA       ILE  11  -7.926   3.445   4.336
   92    HB   ILE  11           HB       ILE  11  -7.822   0.399   4.245
   93   HG12  ILE  11          2HG1      ILE  11  -8.546   0.616   6.714
   94   HG13  ILE  11          1HG1      ILE  11  -9.061   2.243   6.299
   95   HG21  ILE  11          1HG2      ILE  11  -6.285   0.522   6.115
   96   HG22  ILE  11          2HG2      ILE  11  -6.389   2.280   6.098
   97   HG23  ILE  11          3HG2      ILE  11  -5.664   1.436   4.735
   98   HD11  ILE  11          1HD1      ILE  11 -10.081  -0.305   5.067
   99   HD12  ILE  11          2HD1      ILE  11 -10.650   1.322   4.695
  100   HD13  ILE  11          3HD1      ILE  11 -10.907   0.642   6.305
  101    H    CYS  12           HN       CYS  12  -6.377   4.323   3.117
  102    HA   CYS  12           HA       CYS  12  -5.153   2.650   1.051
  103    HB2  CYS  12          2HB       CYS  12  -4.986   5.656   1.360
  104    HB3  CYS  12          1HB       CYS  12  -4.303   4.666   0.068
  105    H    TYR  13           HN       TYR  13  -3.434   1.702   1.653
  106    HA   TYR  13           HA       TYR  13  -1.685   2.973   3.647
  107    HB2  TYR  13          2HB       TYR  13  -1.253   0.665   4.526
  108    HB3  TYR  13          1HB       TYR  13  -2.899   1.235   4.778
  109    HD1  TYR  13          1HD       TYR  13  -4.767   0.219   3.557
  110    HD2  TYR  13          2HD       TYR  13  -0.792  -1.203   2.979
  111    HE1  TYR  13          1HE       TYR  13  -5.646  -1.769   2.483
  112    HE2  TYR  13          2HE       TYR  13  -1.660  -3.183   1.921
  113    HH   TYR  13           HH       TYR  13  -4.860  -3.505   0.859
  114    H    ARG  14           HN       ARG  14   0.523   2.318   3.561
  115    HA   ARG  14           HA       ARG  14   1.460   1.955   0.862
  116    HB2  ARG  14          2HB       ARG  14   2.820   2.497   3.477
  117    HB3  ARG  14          1HB       ARG  14   3.723   2.117   2.024
  118    HG2  ARG  14          2HG       ARG  14   2.939   4.089   0.941
  119    HG3  ARG  14          1HG       ARG  14   1.796   4.413   2.247
  120    HD2  ARG  14          2HD       ARG  14   3.876   5.799   2.339
  121    HD3  ARG  14          1HD       ARG  14   3.571   4.850   3.790
  122    HE   ARG  14           HE       ARG  14   5.238   3.336   2.161
  123   HH11  ARG  14          1HH1      ARG  14   5.416   6.356   3.969
  124   HH12  ARG  14          2HH1      ARG  14   7.104   6.280   4.204
  125   HH21  ARG  14          1HH2      ARG  14   7.550   3.222   2.493
  126   HH22  ARG  14          2HH2      ARG  14   8.336   4.455   3.344
  127    H    LYS  15           HN       LYS  15   2.182   0.168   0.016
  128    HA   LYS  15           HA       LYS  15   2.929  -2.054   1.764
  129    HB2  LYS  15          2HB       LYS  15   2.082  -2.000  -1.142
  130    HB3  LYS  15          1HB       LYS  15   2.737  -3.419  -0.343
  131    HG2  LYS  15          2HG       LYS  15   0.836  -3.441   1.191
  132    HG3  LYS  15          1HG       LYS  15   0.183  -2.004   0.398
  133    HD2  LYS  15          2HD       LYS  15  -0.047  -3.171  -1.659
  134    HD3  LYS  15          1HD       LYS  15   0.753  -4.606  -1.007
  135    HE2  LYS  15          2HE       LYS  15  -1.882  -3.454  -0.086
  136    HE3  LYS  15          1HE       LYS  15  -1.694  -4.842  -1.140
  137    HZ1  LYS  15          1HZ       LYS  15  -0.564  -6.013   0.598
  138    HZ2  LYS  15          2HZ       LYS  15  -2.075  -5.542   1.143
  139    HZ3  LYS  15          3HZ       LYS  15  -0.684  -4.737   1.670
  140    H    CYS  16           HN       CYS  16   5.024  -2.353   1.932
  141    HA   CYS  16           HA       CYS  16   6.745  -1.059  -0.050
  142    HB2  CYS  16          2HB       CYS  16   7.206  -1.501   2.899
  143    HB3  CYS  16          1HB       CYS  16   8.377  -0.817   1.774
  144    H    ARG  17           HN       ARG  17   8.352  -2.201  -0.940
  145    HA   ARG  17           HA       ARG  17   8.856  -4.859   0.134
  146    HB2  ARG  17          2HB       ARG  17   8.745  -4.080  -2.788
  147    HB3  ARG  17          1HB       ARG  17   9.334  -5.628  -2.198
  148    HG2  ARG  17          2HG       ARG  17   7.064  -5.972  -1.153
  149    HG3  ARG  17          1HG       ARG  17   6.540  -4.535  -2.020
  150    HD2  ARG  17          2HD       ARG  17   7.097  -5.573  -4.139
  151    HD3  ARG  17          1HD       ARG  17   7.699  -7.002  -3.298
  152    HE   ARG  17           HE       ARG  17   4.978  -6.300  -2.695
  153   HH11  ARG  17          1HH1      ARG  17   7.099  -8.308  -4.696
  154   HH12  ARG  17          2HH1      ARG  17   5.870  -9.339  -5.243
  155   HH21  ARG  17          1HH2      ARG  17   3.285  -7.730  -3.408
  156   HH22  ARG  17          2HH2      ARG  17   3.603  -8.985  -4.488
  157    HN1  NH2  18          1H        ARG  17  10.629  -4.475   1.187
  158    HN2  NH2  18          2H        ARG  17  12.055  -3.720   0.564
  Start of MODEL    6
    1    H1   ARG   1          1HT       ARG   1  14.025   2.103  -0.543
    2    H2   ARG   1          2HT       ARG   1  14.289   3.220  -1.783
    3    H3   ARG   1          3HT       ARG   1  15.198   1.813  -1.737
    4    HA   ARG   1           HA       ARG   1  13.450   1.707  -3.400
    5    HB2  ARG   1          2HB       ARG   1  14.078  -0.379  -2.144
    6    HB3  ARG   1          1HB       ARG   1  12.809  -0.023  -0.984
    7    HG2  ARG   1          2HG       ARG   1  11.143  -0.234  -2.782
    8    HG3  ARG   1          1HG       ARG   1  12.438  -0.638  -3.906
    9    HD2  ARG   1          2HD       ARG   1  11.683  -2.202  -1.438
   10    HD3  ARG   1          1HD       ARG   1  11.286  -2.638  -3.095
   11    HE   ARG   1           HE       ARG   1  14.102  -2.356  -2.345
   12   HH11  ARG   1          1HH1      ARG   1  11.445  -4.497  -3.321
   13   HH12  ARG   1          2HH1      ARG   1  12.424  -5.866  -3.493
   14   HH21  ARG   1          1HH2      ARG   1  15.458  -4.225  -2.616
   15   HH22  ARG   1          2HH2      ARG   1  14.792  -5.710  -3.088
   16    H    TRP   2           HN       TRP   2  11.436   2.384  -3.972
   17    HA   TRP   2           HA       TRP   2   9.910   3.714  -1.931
   18    HB2  TRP   2          2HB       TRP   2   9.582   3.675  -4.931
   19    HB3  TRP   2          1HB       TRP   2   8.500   4.535  -3.832
   20    HD1  TRP   2          1HD       TRP   2  11.688   4.880  -5.635
   21    HE1  TRP   2          1HE       TRP   2  12.871   7.108  -4.975
   22    HE3  TRP   2          3HE       TRP   2   8.828   6.126  -1.627
   23    HZ2  TRP   2          2HZ       TRP   2  12.595   9.081  -2.993
   24    HZ3  TRP   2          3HZ       TRP   2   9.340   8.190  -0.390
   25    HH2  TRP   2          2HH       TRP   2  11.184   9.631  -1.062
   26    H    CYS   3           HN       CYS   3   7.443   3.434  -2.154
   27    HA   CYS   3           HA       CYS   3   6.888   0.573  -2.455
   28    HB2  CYS   3          2HB       CYS   3   5.888   2.397  -0.273
   29    HB3  CYS   3          1HB       CYS   3   5.580   0.672  -0.431
   30    H    PHE   4           HN       PHE   4   4.399   0.316  -2.297
   31    HA   PHE   4           HA       PHE   4   3.190   2.433  -3.878
   32    HB2  PHE   4          2HB       PHE   4   1.803   0.655  -4.944
   33    HB3  PHE   4          1HB       PHE   4   3.528   0.462  -5.248
   34    HD1  PHE   4          1HD       PHE   4   0.642  -0.873  -3.420
   35    HD2  PHE   4          2HD       PHE   4   4.705  -1.467  -4.511
   36    HE1  PHE   4          1HE       PHE   4   0.489  -3.166  -2.652
   37    HE2  PHE   4          2HE       PHE   4   4.576  -3.793  -3.743
   38    HZ   PHE   4           HZ       PHE   4   2.469  -4.665  -2.811
   39    H    ARG   5           HN       ARG   5   0.809   2.531  -3.520
   40    HA   ARG   5           HA       ARG   5   0.294   1.782  -0.753
   41    HB2  ARG   5          2HB       ARG   5   0.709   4.242  -1.196
   42    HB3  ARG   5          1HB       ARG   5  -0.799   4.249  -2.100
   43    HG2  ARG   5          2HG       ARG   5  -2.050   3.736  -0.168
   44    HG3  ARG   5          1HG       ARG   5  -0.597   3.372   0.757
   45    HD2  ARG   5          2HD       ARG   5   0.091   5.767   0.403
   46    HD3  ARG   5          1HD       ARG   5  -1.530   6.052  -0.237
   47    HE   ARG   5           HE       ARG   5  -1.984   4.851   2.155
   48   HH11  ARG   5          1HH1      ARG   5  -0.278   7.800   1.211
   49   HH12  ARG   5          2HH1      ARG   5  -0.425   8.510   2.754
   50   HH21  ARG   5          1HH2      ARG   5  -2.165   5.793   4.203
   51   HH22  ARG   5          2HH2      ARG   5  -1.529   7.354   4.478
   52    H    VAL   6           HN       VAL   6  -1.445   0.650  -0.396
   53    HA   VAL   6           HA       VAL   6  -3.124  -0.013  -2.707
   54    HB   VAL   6           HB       VAL   6  -2.696  -1.525  -0.107
   55   HG11  VAL   6          1HG1      VAL   6  -4.180  -2.360  -2.597
   56   HG12  VAL   6          2HG1      VAL   6  -4.914  -1.907  -1.060
   57   HG13  VAL   6          3HG1      VAL   6  -3.904  -3.348  -1.158
   58   HG21  VAL   6          1HG2      VAL   6  -0.722  -1.590  -1.453
   59   HG22  VAL   6          2HG2      VAL   6  -1.665  -2.058  -2.866
   60   HG23  VAL   6          3HG2      VAL   6  -1.524  -3.162  -1.496
   61    H    CYS   7           HN       CYS   7  -5.248   0.453  -2.642
   62    HA   CYS   7           HA       CYS   7  -6.258   1.504  -0.120
   63    HB2  CYS   7          2HB       CYS   7  -7.180   2.071  -2.944
   64    HB3  CYS   7          1HB       CYS   7  -7.947   2.689  -1.484
   65    H    TYR   8           HN       TYR   8  -7.769   0.529   0.862
   66    HA   TYR   8           HA       TYR   8  -9.404  -1.496  -0.470
   67    HB2  TYR   8          2HB       TYR   8  -7.560  -2.586   0.817
   68    HB3  TYR   8          1HB       TYR   8  -8.085  -1.680   2.235
   69    HD1  TYR   8          1HD       TYR   8  -9.195  -4.293  -0.164
   70    HD2  TYR   8          2HD       TYR   8  -9.743  -2.513   3.659
   71    HE1  TYR   8          1HE       TYR   8 -10.721  -6.102   0.457
   72    HE2  TYR   8          2HE       TYR   8 -11.268  -4.307   4.288
   73    HH   TYR   8           HH       TYR   8 -11.587  -7.172   2.491
   74    H    ARG   9           HN       ARG   9 -11.300  -0.378  -0.420
   75    HA   ARG   9           HA       ARG   9 -13.271   0.424   0.390
   76    HB2  ARG   9          2HB       ARG   9 -12.233  -0.729   2.975
   77    HB3  ARG   9          1HB       ARG   9 -13.852  -0.075   2.775
   78    HG2  ARG   9          2HG       ARG   9 -12.710  -2.388   1.222
   79    HG3  ARG   9          1HG       ARG   9 -13.785  -2.527   2.611
   80    HD2  ARG   9          2HD       ARG   9 -14.421  -1.212  -0.032
   81    HD3  ARG   9          1HD       ARG   9 -15.047  -2.749   0.555
   82    HE   ARG   9           HE       ARG   9 -15.727  -0.960   2.478
   83   HH11  ARG   9          1HH1      ARG   9 -16.393  -1.274  -0.984
   84   HH12  ARG   9          2HH1      ARG   9 -17.845  -0.392  -0.928
   85   HH21  ARG   9          1HH2      ARG   9 -17.749   0.222   2.568
   86   HH22  ARG   9          2HH2      ARG   9 -18.641   0.447   1.136
   87    H    GLY  10           HN       GLY  10 -10.802   2.088   0.504
   88    HA2  GLY  10          2HA       GLY  10 -10.998   4.482   0.841
   89    HA3  GLY  10          1HA       GLY  10 -11.866   4.142   2.335
   90    H    ILE  11           HN       ILE  11  -9.879   1.913   2.846
   91    HA   ILE  11           HA       ILE  11  -8.002   3.547   4.288
   92    HB   ILE  11           HB       ILE  11  -8.205   0.520   4.078
   93   HG12  ILE  11          2HG1      ILE  11  -8.925   0.714   6.540
   94   HG13  ILE  11          1HG1      ILE  11  -9.235   2.412   6.204
   95   HG21  ILE  11          1HG2      ILE  11  -6.694   0.408   5.995
   96   HG22  ILE  11          2HG2      ILE  11  -6.501   2.159   5.934
   97   HG23  ILE  11          3HG2      ILE  11  -5.958   1.165   4.584
   98   HD11  ILE  11          1HD1      ILE  11 -10.888   1.763   4.538
   99   HD12  ILE  11          2HD1      ILE  11 -11.259   1.043   6.113
  100   HD13  ILE  11          3HD1      ILE  11 -10.516   0.068   4.835
  101    H    CYS  12           HN       CYS  12  -6.268   4.275   3.226
  102    HA   CYS  12           HA       CYS  12  -5.128   2.500   1.206
  103    HB2  CYS  12          2HB       CYS  12  -4.801   5.497   1.447
  104    HB3  CYS  12          1HB       CYS  12  -4.058   4.444   0.241
  105    H    TYR  13           HN       TYR  13  -3.511   1.436   1.905
  106    HA   TYR  13           HA       TYR  13  -1.800   2.654   3.951
  107    HB2  TYR  13          2HB       TYR  13  -1.305   0.326   4.730
  108    HB3  TYR  13          1HB       TYR  13  -2.965   0.837   4.979
  109    HD1  TYR  13          1HD       TYR  13  -4.776  -0.281   3.868
  110    HD2  TYR  13          2HD       TYR  13  -0.757  -1.384   3.004
  111    HE1  TYR  13          1HE       TYR  13  -5.588  -2.291   2.764
  112    HE2  TYR  13          2HE       TYR  13  -1.556  -3.423   1.894
  113    HH   TYR  13           HH       TYR  13  -3.553  -4.886   1.927
  114    H    ARG  14           HN       ARG  14   0.367   2.452   3.801
  115    HA   ARG  14           HA       ARG  14   1.416   2.024   1.175
  116    HB2  ARG  14          2HB       ARG  14   2.320   3.853   2.480
  117    HB3  ARG  14          1HB       ARG  14   2.706   2.776   3.809
  118    HG2  ARG  14          2HG       ARG  14   4.412   1.685   2.442
  119    HG3  ARG  14          1HG       ARG  14   4.004   2.737   1.086
  120    HD2  ARG  14          2HD       ARG  14   4.692   4.681   2.336
  121    HD3  ARG  14          1HD       ARG  14   4.992   3.701   3.771
  122    HE   ARG  14           HE       ARG  14   6.678   2.537   2.223
  123   HH11  ARG  14          1HH1      ARG  14   6.000   6.012   2.205
  124   HH12  ARG  14          2HH1      ARG  14   7.526   6.492   1.664
  125   HH21  ARG  14          1HH2      ARG  14   8.818   3.157   1.491
  126   HH22  ARG  14          2HH2      ARG  14   9.208   4.786   1.245
  127    H    LYS  15           HN       LYS  15   2.209   0.203   0.428
  128    HA   LYS  15           HA       LYS  15   2.886  -1.882   2.348
  129    HB2  LYS  15          2HB       LYS  15   0.780  -2.365   1.145
  130    HB3  LYS  15          1HB       LYS  15   1.612  -2.168  -0.385
  131    HG2  LYS  15          2HG       LYS  15   2.986  -4.130   0.096
  132    HG3  LYS  15          1HG       LYS  15   2.178  -4.303   1.662
  133    HD2  LYS  15          2HD       LYS  15   0.053  -4.692   0.572
  134    HD3  LYS  15          1HD       LYS  15   0.765  -4.375  -1.002
  135    HE2  LYS  15          2HE       LYS  15   0.473  -6.756  -0.638
  136    HE3  LYS  15          1HE       LYS  15   2.177  -6.347  -0.786
  137    HZ1  LYS  15          1HZ       LYS  15   2.373  -6.503   1.628
  138    HZ2  LYS  15          2HZ       LYS  15   1.760  -7.931   0.968
  139    HZ3  LYS  15          3HZ       LYS  15   0.724  -6.863   1.750
  140    H    CYS  16           HN       CYS  16   4.904  -2.565   2.171
  141    HA   CYS  16           HA       CYS  16   6.438  -1.754  -0.197
  142    HB2  CYS  16          2HB       CYS  16   7.378  -2.111   2.654
  143    HB3  CYS  16          1HB       CYS  16   8.393  -1.649   1.293
  144    H    ARG  17           HN       ARG  17   8.047  -3.254  -0.896
  145    HA   ARG  17           HA       ARG  17   7.397  -6.018  -0.153
  146    HB2  ARG  17          2HB       ARG  17   8.689  -4.911  -2.643
  147    HB3  ARG  17          1HB       ARG  17   8.405  -6.619  -2.344
  148    HG2  ARG  17          2HG       ARG  17   6.014  -6.260  -2.357
  149    HG3  ARG  17          1HG       ARG  17   6.255  -4.519  -2.523
  150    HD2  ARG  17          2HD       ARG  17   5.695  -5.514  -4.670
  151    HD3  ARG  17          1HD       ARG  17   7.335  -4.882  -4.685
  152    HE   ARG  17           HE       ARG  17   7.286  -7.622  -3.989
  153   HH11  ARG  17          1HH1      ARG  17   7.056  -5.434  -6.775
  154   HH12  ARG  17          2HH1      ARG  17   7.627  -6.599  -7.889
  155   HH21  ARG  17          1HH2      ARG  17   8.055  -9.198  -5.552
  156   HH22  ARG  17          2HH2      ARG  17   8.211  -8.749  -7.195
  157    HN1  NH2  18          1H        ARG  17   8.730  -6.288   1.567
  158    HN2  NH2  18          2H        ARG  17  10.451  -6.205   1.486
  Start of MODEL    7
    1    H1   ARG   1          1HT       ARG   1  14.332   3.309  -1.349
    2    H2   ARG   1          2HT       ARG   1  14.621   3.028  -2.973
    3    H3   ARG   1          3HT       ARG   1  15.345   2.035  -1.835
    4    HA   ARG   1           HA       ARG   1  13.522   0.940  -2.924
    5    HB2  ARG   1          2HB       ARG   1  12.203   0.275  -0.975
    6    HB3  ARG   1          1HB       ARG   1  13.908   0.359  -0.565
    7    HG2  ARG   1          2HG       ARG   1  13.604   2.387   0.638
    8    HG3  ARG   1          1HG       ARG   1  11.955   2.576   0.034
    9    HD2  ARG   1          2HD       ARG   1  11.276   0.594   1.248
   10    HD3  ARG   1          1HD       ARG   1  12.924   0.337   1.814
   11    HE   ARG   1           HE       ARG   1  12.386   2.813   2.676
   12   HH11  ARG   1          1HH1      ARG   1  10.538  -0.174   2.934
   13   HH12  ARG   1          2HH1      ARG   1   9.891   0.146   4.470
   14   HH21  ARG   1          1HH2      ARG   1  11.482   3.301   4.826
   15   HH22  ARG   1          2HH2      ARG   1  10.438   2.178   5.576
   16    H    TRP   2           HN       TRP   2  11.331   0.880  -3.475
   17    HA   TRP   2           HA       TRP   2   9.899   3.383  -3.051
   18    HB2  TRP   2          2HB       TRP   2   9.787   1.543  -5.451
   19    HB3  TRP   2          1HB       TRP   2   8.641   2.845  -5.159
   20    HD1  TRP   2          1HD       TRP   2  10.075   5.336  -4.738
   21    HE1  TRP   2          1HE       TRP   2  11.847   6.304  -6.330
   22    HE3  TRP   2          3HE       TRP   2  11.408   1.047  -7.137
   23    HZ2  TRP   2          2HZ       TRP   2  13.583   5.363  -8.349
   24    HZ3  TRP   2          3HZ       TRP   2  13.134   1.164  -8.887
   25    HH2  TRP   2          2HH       TRP   2  14.190   3.280  -9.475
   26    H    CYS   3           HN       CYS   3   7.942   3.193  -2.176
   27    HA   CYS   3           HA       CYS   3   6.907   0.480  -1.840
   28    HB2  CYS   3          2HB       CYS   3   6.756   2.785   0.116
   29    HB3  CYS   3          1HB       CYS   3   5.912   1.251   0.308
   30    H    PHE   4           HN       PHE   4   4.636   0.285  -1.899
   31    HA   PHE   4           HA       PHE   4   3.472   2.345  -3.607
   32    HB2  PHE   4          2HB       PHE   4   2.009   0.455  -4.400
   33    HB3  PHE   4          1HB       PHE   4   3.716   0.298  -4.791
   34    HD1  PHE   4          1HD       PHE   4   5.073  -1.435  -3.753
   35    HD2  PHE   4          2HD       PHE   4   0.962  -1.030  -2.810
   36    HE1  PHE   4          1HE       PHE   4   5.105  -3.662  -2.720
   37    HE2  PHE   4          2HE       PHE   4   0.966  -3.246  -1.767
   38    HZ   PHE   4           HZ       PHE   4   3.047  -4.580  -1.719
   39    H    ARG   5           HN       ARG   5   1.182   2.717  -3.382
   40    HA   ARG   5           HA       ARG   5   0.266   2.222  -0.644
   41    HB2  ARG   5          2HB       ARG   5   0.670   4.621  -1.422
   42    HB3  ARG   5          1HB       ARG   5  -0.687   4.395  -2.513
   43    HG2  ARG   5          2HG       ARG   5  -2.165   4.022  -0.623
   44    HG3  ARG   5          1HG       ARG   5  -0.802   4.182   0.487
   45    HD2  ARG   5          2HD       ARG   5  -0.436   6.482  -0.440
   46    HD3  ARG   5          1HD       ARG   5  -1.953   6.294  -1.320
   47    HE   ARG   5           HE       ARG   5  -2.012   5.878   1.546
   48   HH11  ARG   5          1HH1      ARG   5  -2.638   8.123  -1.128
   49   HH12  ARG   5          2HH1      ARG   5  -3.674   9.127  -0.229
   50   HH21  ARG   5          1HH2      ARG   5  -3.444   7.296   2.781
   51   HH22  ARG   5          2HH2      ARG   5  -4.130   8.654   2.014
   52    H    VAL   6           HN       VAL   6  -1.578   1.108  -0.383
   53    HA   VAL   6           HA       VAL   6  -3.062   0.346  -2.808
   54    HB   VAL   6           HB       VAL   6  -2.652  -1.333  -0.294
   55   HG11  VAL   6          1HG1      VAL   6  -4.027  -2.056  -2.884
   56   HG12  VAL   6          2HG1      VAL   6  -4.820  -1.768  -1.335
   57   HG13  VAL   6          3HG1      VAL   6  -3.740  -3.148  -1.528
   58   HG21  VAL   6          1HG2      VAL   6  -0.630  -1.235  -1.569
   59   HG22  VAL   6          2HG2      VAL   6  -1.497  -1.657  -3.048
   60   HG23  VAL   6          3HG2      VAL   6  -1.357  -2.834  -1.738
   61    H    CYS   7           HN       CYS   7  -5.272   0.514  -2.691
   62    HA   CYS   7           HA       CYS   7  -6.318   1.584  -0.180
   63    HB2  CYS   7          2HB       CYS   7  -7.257   2.075  -3.011
   64    HB3  CYS   7          1HB       CYS   7  -8.086   2.645  -1.566
   65    H    TYR   8           HN       TYR   8  -7.798   0.520   0.841
   66    HA   TYR   8           HA       TYR   8  -9.318  -1.589  -0.519
   67    HB2  TYR   8          2HB       TYR   8  -7.438  -2.604   0.728
   68    HB3  TYR   8          1HB       TYR   8  -7.957  -1.708   2.159
   69    HD1  TYR   8          1HD       TYR   8  -9.486  -2.623   3.646
   70    HD2  TYR   8          2HD       TYR   8  -9.081  -4.335  -0.220
   71    HE1  TYR   8          1HE       TYR   8 -10.949  -4.451   4.321
   72    HE2  TYR   8          2HE       TYR   8 -10.548  -6.180   0.434
   73    HH   TYR   8           HH       TYR   8 -11.282  -7.286   2.463
   74    H    ARG   9           HN       ARG   9 -11.308  -0.606  -0.469
   75    HA   ARG   9           HA       ARG   9 -13.297   0.152   0.330
   76    HB2  ARG   9          2HB       ARG   9 -12.286  -1.118   2.874
   77    HB3  ARG   9          1HB       ARG   9 -13.909  -0.479   2.691
   78    HG2  ARG   9          2HG       ARG   9 -12.691  -2.761   1.143
   79    HG3  ARG   9          1HG       ARG   9 -13.909  -2.868   2.417
   80    HD2  ARG   9          2HD       ARG   9 -14.244  -1.564  -0.291
   81    HD3  ARG   9          1HD       ARG   9 -14.971  -3.073   0.249
   82    HE   ARG   9           HE       ARG   9 -15.809  -1.209   2.061
   83   HH11  ARG   9          1HH1      ARG   9 -16.042  -1.451  -1.466
   84   HH12  ARG   9          2HH1      ARG   9 -17.526  -0.641  -1.548
   85   HH21  ARG   9          1HH2      ARG   9 -17.787  -0.063   1.930
   86   HH22  ARG   9          2HH2      ARG   9 -18.544   0.189   0.424
   87    H    GLY  10           HN       GLY  10 -10.931   1.847   0.503
   88    HA2  GLY  10          2HA       GLY  10 -11.200   4.202   0.915
   89    HA3  GLY  10          1HA       GLY  10 -11.996   3.797   2.436
   90    H    ILE  11           HN       ILE  11  -9.981   1.651   2.889
   91    HA   ILE  11           HA       ILE  11  -8.134   3.292   4.332
   92    HB   ILE  11           HB       ILE  11  -8.234   0.263   4.035
   93   HG12  ILE  11          2HG1      ILE  11  -8.935   0.366   6.515
   94   HG13  ILE  11          1HG1      ILE  11  -9.259   2.069   6.236
   95   HG21  ILE  11          1HG2      ILE  11  -6.708   0.142   5.954
   96   HG22  ILE  11          2HG2      ILE  11  -6.524   1.897   5.893
   97   HG23  ILE  11          3HG2      ILE  11  -5.994   0.901   4.536
   98   HD11  ILE  11          1HD1      ILE  11 -10.552  -0.221   4.790
   99   HD12  ILE  11          2HD1      ILE  11 -10.940   1.487   4.584
  100   HD13  ILE  11          3HD1      ILE  11 -11.280   0.683   6.122
  101    H    CYS  12           HN       CYS  12  -6.733   4.298   3.031
  102    HA   CYS  12           HA       CYS  12  -5.269   2.671   1.106
  103    HB2  CYS  12          2HB       CYS  12  -5.289   5.686   1.434
  104    HB3  CYS  12          1HB       CYS  12  -4.385   4.779   0.225
  105    H    TYR  13           HN       TYR  13  -3.515   1.813   1.767
  106    HA   TYR  13           HA       TYR  13  -1.963   3.117   3.900
  107    HB2  TYR  13          2HB       TYR  13  -1.414   0.846   4.721
  108    HB3  TYR  13          1HB       TYR  13  -3.135   1.206   4.837
  109    HD1  TYR  13          1HD       TYR  13  -0.594  -0.935   3.347
  110    HD2  TYR  13          2HD       TYR  13  -4.719   0.101   3.260
  111    HE1  TYR  13          1HE       TYR  13  -1.084  -2.988   2.116
  112    HE2  TYR  13          2HE       TYR  13  -5.229  -1.928   2.052
  113    HH   TYR  13           HH       TYR  13  -2.975  -4.476   1.711
  114    H    ARG  14           HN       ARG  14   0.312   2.462   3.895
  115    HA   ARG  14           HA       ARG  14   1.228   2.055   1.152
  116    HB2  ARG  14          2HB       ARG  14   1.955   4.160   2.145
  117    HB3  ARG  14          1HB       ARG  14   2.623   3.306   3.527
  118    HG2  ARG  14          2HG       ARG  14   4.330   2.321   2.176
  119    HG3  ARG  14          1HG       ARG  14   3.589   2.944   0.701
  120    HD2  ARG  14          2HD       ARG  14   5.520   4.282   1.370
  121    HD3  ARG  14          1HD       ARG  14   4.030   5.218   1.421
  122    HE   ARG  14           HE       ARG  14   4.658   4.097   3.956
  123   HH11  ARG  14          1HH1      ARG  14   5.504   6.755   1.774
  124   HH12  ARG  14          2HH1      ARG  14   6.015   7.790   3.029
  125   HH21  ARG  14          1HH2      ARG  14   5.348   5.528   5.659
  126   HH22  ARG  14          2HH2      ARG  14   5.928   7.091   5.260
  127    H    LYS  15           HN       LYS  15   2.388   0.314   0.643
  128    HA   LYS  15           HA       LYS  15   3.296  -1.409   2.826
  129    HB2  LYS  15          2HB       LYS  15   1.088  -2.162   1.871
  130    HB3  LYS  15          1HB       LYS  15   1.883  -2.349   0.319
  131    HG2  LYS  15          2HG       LYS  15   3.328  -4.078   1.253
  132    HG3  LYS  15          1HG       LYS  15   2.572  -3.861   2.834
  133    HD2  LYS  15          2HD       LYS  15   0.388  -4.462   1.806
  134    HD3  LYS  15          1HD       LYS  15   1.234  -4.803   0.301
  135    HE2  LYS  15          2HE       LYS  15   1.729  -6.179   2.940
  136    HE3  LYS  15          1HE       LYS  15   0.764  -6.829   1.621
  137    HZ1  LYS  15          1HZ       LYS  15   3.698  -6.275   1.530
  138    HZ2  LYS  15          2HZ       LYS  15   2.751  -6.772   0.231
  139    HZ3  LYS  15          3HZ       LYS  15   2.930  -7.786   1.542
  140    H    CYS  16           HN       CYS  16   5.123  -2.680   2.246
  141    HA   CYS  16           HA       CYS  16   6.468  -1.779  -0.192
  142    HB2  CYS  16          2HB       CYS  16   7.745  -2.490   2.460
  143    HB3  CYS  16          1HB       CYS  16   8.556  -1.892   1.016
  144    H    ARG  17           HN       ARG  17   7.707  -3.368  -1.228
  145    HA   ARG  17           HA       ARG  17   6.877  -6.087  -0.714
  146    HB2  ARG  17          2HB       ARG  17   6.784  -5.166  -2.997
  147    HB3  ARG  17          1HB       ARG  17   8.510  -4.862  -2.938
  148    HG2  ARG  17          2HG       ARG  17   8.934  -7.259  -2.807
  149    HG3  ARG  17          1HG       ARG  17   7.193  -7.563  -2.845
  150    HD2  ARG  17          2HD       ARG  17   8.750  -6.135  -4.982
  151    HD3  ARG  17          1HD       ARG  17   8.263  -7.827  -5.066
  152    HE   ARG  17           HE       ARG  17   5.933  -6.641  -4.658
  153   HH11  ARG  17          1HH1      ARG  17   8.507  -5.719  -6.916
  154   HH12  ARG  17          2HH1      ARG  17   7.440  -5.109  -8.089
  155   HH21  ARG  17          1HH2      ARG  17   4.467  -5.772  -6.293
  156   HH22  ARG  17          2HH2      ARG  17   5.126  -5.145  -7.741
  157    HN1  NH2  18          1H        ARG  17   8.013  -6.853   0.965
  158    HN2  NH2  18          2H        ARG  17   9.740  -6.864   1.089
  Start of MODEL    8
    1    H1   ARG   1          1HT       ARG   1  13.419   3.536  -2.102
    2    H2   ARG   1          2HT       ARG   1  13.924   3.711  -0.502
    3    H3   ARG   1          3HT       ARG   1  12.432   4.312  -0.992
    4    HA   ARG   1           HA       ARG   1  13.160   1.458  -1.000
    5    HB2  ARG   1          2HB       ARG   1  12.848   2.437   1.306
    6    HB3  ARG   1          1HB       ARG   1  11.248   2.961   0.815
    7    HG2  ARG   1          2HG       ARG   1  10.539   0.682   0.533
    8    HG3  ARG   1          1HG       ARG   1  12.165   0.101   0.876
    9    HD2  ARG   1          2HD       ARG   1  12.009   1.097   3.121
   10    HD3  ARG   1          1HD       ARG   1  10.343   1.566   2.769
   11    HE   ARG   1           HE       ARG   1  10.582  -1.142   2.254
   12   HH11  ARG   1          1HH1      ARG   1  10.809   0.978   5.057
   13   HH12  ARG   1          2HH1      ARG   1  10.236  -0.177   6.167
   14   HH21  ARG   1          1HH2      ARG   1   9.853  -2.782   3.805
   15   HH22  ARG   1          2HH2      ARG   1   9.740  -2.345   5.440
   16    H    TRP   2           HN       TRP   2  11.660   0.151  -2.013
   17    HA   TRP   2           HA       TRP   2   9.800   1.599  -3.664
   18    HB2  TRP   2          2HB       TRP   2  10.669  -1.288  -3.616
   19    HB3  TRP   2          1HB       TRP   2   9.346  -0.720  -4.628
   20    HD1  TRP   2          1HD       TRP   2   9.951   0.625  -6.795
   21    HE1  TRP   2          1HE       TRP   2  12.154   1.090  -8.036
   22    HE3  TRP   2          3HE       TRP   2  13.269  -0.858  -3.195
   23    HZ2  TRP   2          2HZ       TRP   2  14.897   0.867  -7.557
   24    HZ3  TRP   2          3HZ       TRP   2  15.667  -0.691  -3.676
   25    HH2  TRP   2          2HH       TRP   2  16.464   0.154  -5.818
   26    H    CYS   3           HN       CYS   3   7.995   2.130  -2.848
   27    HA   CYS   3           HA       CYS   3   6.422   0.170  -1.366
   28    HB2  CYS   3          2HB       CYS   3   6.766   3.078  -0.613
   29    HB3  CYS   3          1HB       CYS   3   5.685   1.932   0.162
   30    H    PHE   4           HN       PHE   4   4.318   0.207  -1.772
   31    HA   PHE   4           HA       PHE   4   3.397   2.162  -3.709
   32    HB2  PHE   4          2HB       PHE   4   2.074   0.290  -4.773
   33    HB3  PHE   4          1HB       PHE   4   3.826   0.145  -4.908
   34    HD1  PHE   4          1HD       PHE   4   5.029  -1.639  -3.851
   35    HD2  PHE   4          2HD       PHE   4   0.832  -1.251  -3.348
   36    HE1  PHE   4          1HE       PHE   4   4.932  -3.916  -2.922
   37    HE2  PHE   4          2HE       PHE   4   0.722  -3.509  -2.412
   38    HZ   PHE   4           HZ       PHE   4   2.789  -4.855  -2.198
   39    H    ARG   5           HN       ARG   5   1.153   2.663  -3.540
   40    HA   ARG   5           HA       ARG   5   0.239   2.197  -0.802
   41    HB2  ARG   5          2HB       ARG   5   0.764   4.555  -1.690
   42    HB3  ARG   5          1HB       ARG   5  -0.701   4.382  -2.642
   43    HG2  ARG   5          2HG       ARG   5  -2.001   4.084  -0.599
   44    HG3  ARG   5          1HG       ARG   5  -0.529   4.245   0.360
   45    HD2  ARG   5          2HD       ARG   5  -0.211   6.494  -0.737
   46    HD3  ARG   5          1HD       ARG   5  -1.843   6.303  -1.377
   47    HE   ARG   5           HE       ARG   5  -1.474   6.043   1.481
   48   HH11  ARG   5          1HH1      ARG   5  -2.560   8.068  -1.207
   49   HH12  ARG   5          2HH1      ARG   5  -3.409   9.170  -0.236
   50   HH21  ARG   5          1HH2      ARG   5  -2.621   7.596   2.842
   51   HH22  ARG   5          2HH2      ARG   5  -3.447   8.900   2.103
   52    H    VAL   6           HN       VAL   6  -1.528   1.046  -0.531
   53    HA   VAL   6           HA       VAL   6  -3.195   0.474  -2.878
   54    HB   VAL   6           HB       VAL   6  -2.577  -1.382  -0.540
   55   HG11  VAL   6          1HG1      VAL   6  -4.848  -1.714  -1.373
   56   HG12  VAL   6          2HG1      VAL   6  -3.816  -3.082  -1.794
   57   HG13  VAL   6          3HG1      VAL   6  -4.231  -1.880  -3.016
   58   HG21  VAL   6          1HG2      VAL   6  -1.461  -2.771  -2.206
   59   HG22  VAL   6          2HG2      VAL   6  -0.708  -1.186  -2.023
   60   HG23  VAL   6          3HG2      VAL   6  -1.735  -1.521  -3.422
   61    H    CYS   7           HN       CYS   7  -5.308   0.808  -2.643
   62    HA   CYS   7           HA       CYS   7  -6.218   1.645  -0.003
   63    HB2  CYS   7          2HB       CYS   7  -7.317   2.284  -2.731
   64    HB3  CYS   7          1HB       CYS   7  -7.988   2.835  -1.198
   65    H    TYR   8           HN       TYR   8  -7.646   0.539   0.976
   66    HA   TYR   8           HA       TYR   8  -9.202  -1.500  -0.447
   67    HB2  TYR   8          2HB       TYR   8  -7.263  -2.476   0.783
   68    HB3  TYR   8          1HB       TYR   8  -7.855  -1.678   2.238
   69    HD1  TYR   8          1HD       TYR   8  -9.359  -2.753   3.642
   70    HD2  TYR   8          2HD       TYR   8  -8.791  -4.222  -0.298
   71    HE1  TYR   8          1HE       TYR   8 -10.683  -4.688   4.208
   72    HE2  TYR   8          2HE       TYR   8 -10.131  -6.202   0.234
   73    HH   TYR   8           HH       TYR   8 -10.817  -7.461   2.122
   74    H    ARG   9           HN       ARG   9 -11.225  -0.644  -0.302
   75    HA   ARG   9           HA       ARG   9 -13.208   0.109   0.551
   76    HB2  ARG   9          2HB       ARG   9 -12.022  -0.606   3.241
   77    HB3  ARG   9          1HB       ARG   9 -13.712  -0.262   2.928
   78    HG2  ARG   9          2HG       ARG   9 -13.849  -2.273   1.530
   79    HG3  ARG   9          1HG       ARG   9 -12.143  -2.594   1.849
   80    HD2  ARG   9          2HD       ARG   9 -12.616  -2.709   4.252
   81    HD3  ARG   9          1HD       ARG   9 -14.324  -2.435   3.919
   82    HE   ARG   9           HE       ARG   9 -13.585  -4.608   2.423
   83   HH11  ARG   9          1HH1      ARG   9 -13.575  -3.818   5.878
   84   HH12  ARG   9          2HH1      ARG   9 -13.949  -5.384   6.393
   85   HH21  ARG   9          1HH2      ARG   9 -14.043  -6.801   3.142
   86   HH22  ARG   9          2HH2      ARG   9 -14.206  -7.141   4.802
   87    H    GLY  10           HN       GLY  10 -10.786   1.864   0.389
   88    HA2  GLY  10          2HA       GLY  10 -10.815   4.236   0.592
   89    HA3  GLY  10          1HA       GLY  10 -11.838   4.063   2.012
   90    H    ILE  11           HN       ILE  11  -9.872   1.803   2.847
   91    HA   ILE  11           HA       ILE  11  -8.133   3.519   4.355
   92    HB   ILE  11           HB       ILE  11  -8.183   0.477   4.162
   93   HG12  ILE  11          2HG1      ILE  11  -9.038   0.698   6.612
   94   HG13  ILE  11          1HG1      ILE  11  -9.487   2.335   6.152
   95   HG21  ILE  11          1HG2      ILE  11  -6.807   0.439   6.183
   96   HG22  ILE  11          2HG2      ILE  11  -6.681   2.199   6.117
   97   HG23  ILE  11          3HG2      ILE  11  -6.006   1.212   4.817
   98   HD11  ILE  11          1HD1      ILE  11 -10.955   1.420   4.418
   99   HD12  ILE  11          2HD1      ILE  11 -11.368   0.781   6.014
  100   HD13  ILE  11          3HD1      ILE  11 -10.458  -0.209   4.869
  101    H    CYS  12           HN       CYS  12  -6.533   4.408   3.198
  102    HA   CYS  12           HA       CYS  12  -5.182   2.715   1.248
  103    HB2  CYS  12          2HB       CYS  12  -4.970   5.703   1.650
  104    HB3  CYS  12          1HB       CYS  12  -4.164   4.758   0.400
  105    H    TYR  13           HN       TYR  13  -3.512   1.701   1.878
  106    HA   TYR  13           HA       TYR  13  -1.811   2.891   3.948
  107    HB2  TYR  13          2HB       TYR  13  -1.253   0.522   4.615
  108    HB3  TYR  13          1HB       TYR  13  -2.908   1.004   4.960
  109    HD1  TYR  13          1HD       TYR  13  -4.757  -0.048   3.841
  110    HD2  TYR  13          2HD       TYR  13  -0.767  -1.104   2.815
  111    HE1  TYR  13          1HE       TYR  13  -5.601  -1.976   2.631
  112    HE2  TYR  13          2HE       TYR  13  -1.592  -3.052   1.587
  113    HH   TYR  13           HH       TYR  13  -3.540  -4.479   1.504
  114    H    ARG  14           HN       ARG  14   0.447   2.142   3.808
  115    HA   ARG  14           HA       ARG  14   1.196   1.895   1.002
  116    HB2  ARG  14          2HB       ARG  14   1.927   3.935   2.189
  117    HB3  ARG  14          1HB       ARG  14   2.777   2.937   3.354
  118    HG2  ARG  14          2HG       ARG  14   4.196   2.081   1.567
  119    HG3  ARG  14          1HG       ARG  14   3.369   3.131   0.411
  120    HD2  ARG  14          2HD       ARG  14   5.448   4.149   1.122
  121    HD3  ARG  14          1HD       ARG  14   4.085   5.090   1.729
  122    HE   ARG  14           HE       ARG  14   4.625   3.402   3.756
  123   HH11  ARG  14          1HH1      ARG  14   6.656   5.626   1.948
  124   HH12  ARG  14          2HH1      ARG  14   7.723   5.955   3.237
  125   HH21  ARG  14          1HH2      ARG  14   6.035   3.833   5.524
  126   HH22  ARG  14          2HH2      ARG  14   7.347   4.897   5.335
  127    H    LYS  15           HN       LYS  15   2.198   0.109   0.402
  128    HA   LYS  15           HA       LYS  15   3.113  -1.741   2.481
  129    HB2  LYS  15          2HB       LYS  15   0.955  -2.218   1.115
  130    HB3  LYS  15          1HB       LYS  15   2.040  -2.488  -0.234
  131    HG2  LYS  15          2HG       LYS  15   3.063  -4.344   0.911
  132    HG3  LYS  15          1HG       LYS  15   2.099  -4.015   2.360
  133    HD2  LYS  15          2HD       LYS  15   0.043  -4.347   1.009
  134    HD3  LYS  15          1HD       LYS  15   1.055  -4.814  -0.350
  135    HE2  LYS  15          2HE       LYS  15   0.965  -6.224   2.316
  136    HE3  LYS  15          1HE       LYS  15   0.094  -6.730   0.876
  137    HZ1  LYS  15          1HZ       LYS  15   2.251  -7.042  -0.238
  138    HZ2  LYS  15          2HZ       LYS  15   2.091  -7.987   1.134
  139    HZ3  LYS  15          3HZ       LYS  15   3.042  -6.616   1.193
  140    H    CYS  16           HN       CYS  16   5.172  -2.587   2.080
  141    HA   CYS  16           HA       CYS  16   6.522  -1.319  -0.179
  142    HB2  CYS  16          2HB       CYS  16   7.628  -1.908   2.559
  143    HB3  CYS  16          1HB       CYS  16   8.531  -1.218   1.215
  144    H    ARG  17           HN       ARG  17   7.887  -2.405  -1.403
  145    HA   ARG  17           HA       ARG  17   8.862  -5.005  -0.799
  146    HB2  ARG  17          2HB       ARG  17   6.541  -5.564  -1.453
  147    HB3  ARG  17          1HB       ARG  17   6.784  -4.716  -2.970
  148    HG2  ARG  17          2HG       ARG  17   8.429  -6.341  -3.661
  149    HG3  ARG  17          1HG       ARG  17   8.302  -7.161  -2.102
  150    HD2  ARG  17          2HD       ARG  17   5.981  -7.677  -2.530
  151    HD3  ARG  17          1HD       ARG  17   6.038  -6.785  -4.042
  152    HE   ARG  17           HE       ARG  17   7.871  -8.521  -4.573
  153   HH11  ARG  17          1HH1      ARG  17   4.992  -9.240  -2.649
  154   HH12  ARG  17          2HH1      ARG  17   4.751 -10.779  -3.332
  155   HH21  ARG  17          1HH2      ARG  17   7.527 -10.618  -5.511
  156   HH22  ARG  17          2HH2      ARG  17   6.172 -11.555  -5.007
  157    HN1  NH2  18          1H        ARG  17  10.802  -4.100  -1.238
  158    HN2  NH2  18          2H        ARG  17  11.306  -3.580  -2.805
  Start of MODEL    9
    1    H1   ARG   1          1HT       ARG   1  12.606   4.292  -2.031
    2    H2   ARG   1          2HT       ARG   1  13.552   3.949  -0.685
    3    H3   ARG   1          3HT       ARG   1  11.855   3.990  -0.562
    4    HA   ARG   1           HA       ARG   1  13.379   2.134  -2.264
    5    HB2  ARG   1          2HB       ARG   1  12.723   0.357  -0.706
    6    HB3  ARG   1          1HB       ARG   1  13.675   1.573   0.123
    7    HG2  ARG   1          2HG       ARG   1  11.691   2.479   1.142
    8    HG3  ARG   1          1HG       ARG   1  10.673   1.352   0.231
    9    HD2  ARG   1          2HD       ARG   1  11.828  -0.515   1.319
   10    HD3  ARG   1          1HD       ARG   1  12.786   0.637   2.251
   11    HE   ARG   1           HE       ARG   1  10.146   1.259   2.712
   12   HH11  ARG   1          1HH1      ARG   1  12.314  -1.453   3.308
   13   HH12  ARG   1          2HH1      ARG   1  11.441  -2.059   4.646
   14   HH21  ARG   1          1HH2      ARG   1   8.950   0.467   4.505
   15   HH22  ARG   1          2HH2      ARG   1   9.458  -0.924   5.351
   16    H    TRP   2           HN       TRP   2  11.784   0.178  -2.642
   17    HA   TRP   2           HA       TRP   2   9.726   1.292  -4.248
   18    HB2  TRP   2          2HB       TRP   2  11.143  -0.657  -4.881
   19    HB3  TRP   2          1HB       TRP   2  10.344  -1.599  -3.633
   20    HD1  TRP   2          1HD       TRP   2   9.454   0.290  -6.882
   21    HE1  TRP   2          1HE       TRP   2   7.507  -0.992  -8.029
   22    HE3  TRP   2          3HE       TRP   2   8.588  -3.257  -3.332
   23    HZ2  TRP   2          2HZ       TRP   2   5.865  -3.189  -7.493
   24    HZ3  TRP   2          3HZ       TRP   2   6.817  -4.916  -3.726
   25    HH2  TRP   2          2HH       TRP   2   5.483  -4.866  -5.774
   26    H    CYS   3           HN       CYS   3   7.839   1.851  -3.535
   27    HA   CYS   3           HA       CYS   3   6.316   0.202  -1.669
   28    HB2  CYS   3          2HB       CYS   3   6.829   3.157  -1.308
   29    HB3  CYS   3          1HB       CYS   3   5.600   2.248  -0.450
   30    H    PHE   4           HN       PHE   4   4.168   0.294  -2.007
   31    HA   PHE   4           HA       PHE   4   3.176   2.320  -3.804
   32    HB2  PHE   4          2HB       PHE   4   1.956   0.677  -5.184
   33    HB3  PHE   4          1HB       PHE   4   3.697   0.412  -5.200
   34    HD1  PHE   4          1HD       PHE   4   0.480  -0.933  -4.153
   35    HD2  PHE   4          2HD       PHE   4   4.675  -1.585  -4.260
   36    HE1  PHE   4          1HE       PHE   4   0.111  -3.289  -3.628
   37    HE2  PHE   4          2HE       PHE   4   4.325  -3.953  -3.735
   38    HZ   PHE   4           HZ       PHE   4   2.051  -4.825  -3.425
   39    H    ARG   5           HN       ARG   5   1.152   2.980  -3.360
   40    HA   ARG   5           HA       ARG   5   0.111   2.085  -0.776
   41    HB2  ARG   5          2HB       ARG   5   0.681   4.517  -1.310
   42    HB3  ARG   5          1HB       ARG   5  -0.696   4.496  -2.393
   43    HG2  ARG   5          2HG       ARG   5  -2.174   4.033  -0.499
   44    HG3  ARG   5          1HG       ARG   5  -0.780   4.088   0.588
   45    HD2  ARG   5          2HD       ARG   5  -0.312   6.391  -0.243
   46    HD3  ARG   5          1HD       ARG   5  -1.818   6.329  -1.145
   47    HE   ARG   5           HE       ARG   5  -1.719   6.038   1.764
   48   HH11  ARG   5          1HH1      ARG   5  -3.266   7.470  -1.129
   49   HH12  ARG   5          2HH1      ARG   5  -4.176   8.586  -0.256
   50   HH21  ARG   5          1HH2      ARG   5  -3.042   7.656   2.961
   51   HH22  ARG   5          2HH2      ARG   5  -4.065   8.684   2.064
   52    H    VAL   6           HN       VAL   6  -1.749   1.022  -0.652
   53    HA   VAL   6           HA       VAL   6  -3.445   0.871  -3.046
   54    HB   VAL   6           HB       VAL   6  -2.871  -1.391  -1.070
   55   HG11  VAL   6          1HG1      VAL   6  -5.198  -1.452  -1.833
   56   HG12  VAL   6          2HG1      VAL   6  -4.272  -2.789  -2.522
   57   HG13  VAL   6          3HG1      VAL   6  -4.656  -1.380  -3.510
   58   HG21  VAL   6          1HG2      VAL   6  -1.914  -2.546  -2.992
   59   HG22  VAL   6          2HG2      VAL   6  -1.054  -1.048  -2.624
   60   HG23  VAL   6          3HG2      VAL   6  -2.175  -1.112  -3.984
   61    H    CYS   7           HN       CYS   7  -5.583   1.203  -2.692
   62    HA   CYS   7           HA       CYS   7  -6.312   1.725   0.079
   63    HB2  CYS   7          2HB       CYS   7  -7.455   2.893  -2.459
   64    HB3  CYS   7          1HB       CYS   7  -8.043   3.207  -0.828
   65    H    TYR   8           HN       TYR   8  -7.766   0.582   0.978
   66    HA   TYR   8           HA       TYR   8  -9.471  -1.151  -0.654
   67    HB2  TYR   8          2HB       TYR   8  -7.851  -2.438   0.672
   68    HB3  TYR   8          1HB       TYR   8  -8.354  -1.573   2.120
   69    HD1  TYR   8          1HD       TYR   8  -9.891  -2.551   3.526
   70    HD2  TYR   8          2HD       TYR   8  -9.788  -3.805  -0.539
   71    HE1  TYR   8          1HE       TYR   8 -11.523  -4.295   4.032
   72    HE2  TYR   8          2HE       TYR   8 -11.426  -5.554  -0.044
   73    HH   TYR   8           HH       TYR   8 -13.205  -5.618   2.820
   74    H    ARG   9           HN       ARG   9 -11.059   0.349  -0.822
   75    HA   ARG   9           HA       ARG   9 -13.003   1.404  -0.354
   76    HB2  ARG   9          2HB       ARG   9 -13.157  -0.468   2.016
   77    HB3  ARG   9          1HB       ARG   9 -14.507   0.309   1.204
   78    HG2  ARG   9          2HG       ARG   9 -12.736  -1.885   0.144
   79    HG3  ARG   9          1HG       ARG   9 -14.447  -1.994   0.519
   80    HD2  ARG   9          2HD       ARG   9 -13.190  -0.348  -1.688
   81    HD3  ARG   9          1HD       ARG   9 -14.052  -1.864  -1.897
   82    HE   ARG   9           HE       ARG   9 -15.881  -0.296  -0.714
   83   HH11  ARG   9          1HH1      ARG   9 -13.830   0.187  -3.572
   84   HH12  ARG   9          2HH1      ARG   9 -14.956   1.168  -4.386
   85   HH21  ARG   9          1HH2      ARG   9 -17.425   1.004  -1.850
   86   HH22  ARG   9          2HH2      ARG   9 -17.066   1.648  -3.388
   87    H    GLY  10           HN       GLY  10 -10.841   2.788   0.533
   88    HA2  GLY  10          2HA       GLY  10 -11.026   4.910   1.660
   89    HA3  GLY  10          1HA       GLY  10 -11.919   4.096   2.936
   90    H    ILE  11           HN       ILE  11 -10.058   1.816   2.986
   91    HA   ILE  11           HA       ILE  11  -8.144   3.028   4.766
   92    HB   ILE  11           HB       ILE  11  -8.579   0.096   4.068
   93   HG12  ILE  11          2HG1      ILE  11  -9.437  -0.050   6.473
   94   HG13  ILE  11          1HG1      ILE  11  -9.511   1.703   6.466
   95   HG21  ILE  11          1HG2      ILE  11  -7.187  -0.436   6.017
   96   HG22  ILE  11          2HG2      ILE  11  -6.849   1.282   6.227
   97   HG23  ILE  11          3HG2      ILE  11  -6.305   0.449   4.770
   98   HD11  ILE  11          1HD1      ILE  11 -11.044  -0.150   4.649
   99   HD12  ILE  11          2HD1      ILE  11 -11.159   1.609   4.662
  100   HD13  ILE  11          3HD1      ILE  11 -11.688   0.682   6.066
  101    H    CYS  12           HN       CYS  12  -6.461   3.930   3.758
  102    HA   CYS  12           HA       CYS  12  -5.280   2.473   1.516
  103    HB2  CYS  12          2HB       CYS  12  -4.818   5.348   2.351
  104    HB3  CYS  12          1HB       CYS  12  -4.116   4.552   0.954
  105    H    TYR  13           HN       TYR  13  -3.549   1.412   1.806
  106    HA   TYR  13           HA       TYR  13  -1.813   2.078   4.056
  107    HB2  TYR  13          2HB       TYR  13  -1.400  -0.413   4.275
  108    HB3  TYR  13          1HB       TYR  13  -3.002   0.118   4.770
  109    HD1  TYR  13          1HD       TYR  13  -1.096  -1.828   2.322
  110    HD2  TYR  13          2HD       TYR  13  -4.964  -0.463   3.437
  111    HE1  TYR  13          1HE       TYR  13  -2.097  -3.450   0.807
  112    HE2  TYR  13          2HE       TYR  13  -5.988  -2.076   1.926
  113    HH   TYR  13           HH       TYR  13  -4.279  -4.638   0.521
  114    H    ARG  14           HN       ARG  14   0.401   1.112   3.710
  115    HA   ARG  14           HA       ARG  14   1.044   1.365   0.864
  116    HB2  ARG  14          2HB       ARG  14   1.689   3.346   2.139
  117    HB3  ARG  14          1HB       ARG  14   2.612   2.343   3.244
  118    HG2  ARG  14          2HG       ARG  14   4.045   1.662   1.333
  119    HG3  ARG  14          1HG       ARG  14   3.173   2.825   0.328
  120    HD2  ARG  14          2HD       ARG  14   5.243   3.791   1.168
  121    HD3  ARG  14          1HD       ARG  14   3.842   4.626   1.844
  122    HE   ARG  14           HE       ARG  14   4.546   2.600   3.603
  123   HH11  ARG  14          1HH1      ARG  14   6.018   5.577   2.377
  124   HH12  ARG  14          2HH1      ARG  14   6.890   5.904   3.802
  125   HH21  ARG  14          1HH2      ARG  14   5.695   3.028   5.550
  126   HH22  ARG  14          2HH2      ARG  14   6.706   4.372   5.685
  127    H    LYS  15           HN       LYS  15   1.924  -0.364   0.061
  128    HA   LYS  15           HA       LYS  15   3.103  -2.339   1.847
  129    HB2  LYS  15          2HB       LYS  15   2.280  -2.519  -1.055
  130    HB3  LYS  15          1HB       LYS  15   2.943  -3.837  -0.096
  131    HG2  LYS  15          2HG       LYS  15   1.004  -3.771   1.376
  132    HG3  LYS  15          1HG       LYS  15   0.350  -2.408   0.470
  133    HD2  LYS  15          2HD       LYS  15  -0.736  -4.490  -0.210
  134    HD3  LYS  15          1HD       LYS  15   0.211  -3.818  -1.534
  135    HE2  LYS  15          2HE       LYS  15   0.504  -6.205  -1.402
  136    HE3  LYS  15          1HE       LYS  15   2.016  -5.399  -1.026
  137    HZ1  LYS  15          1HZ       LYS  15   0.122  -6.552   0.955
  138    HZ2  LYS  15          2HZ       LYS  15   1.554  -5.769   1.346
  139    HZ3  LYS  15          3HZ       LYS  15   1.597  -7.212   0.491
  140    H    CYS  16           HN       CYS  16   5.266  -2.719   1.757
  141    HA   CYS  16           HA       CYS  16   6.799  -1.346  -0.337
  142    HB2  CYS  16          2HB       CYS  16   7.354  -1.341   2.621
  143    HB3  CYS  16          1HB       CYS  16   8.477  -0.777   1.397
  144    H    ARG  17           HN       ARG  17   9.018  -2.077  -0.436
  145    HA   ARG  17           HA       ARG  17   9.485  -4.745   0.637
  146    HB2  ARG  17          2HB       ARG  17   8.909  -4.941  -1.767
  147    HB3  ARG  17          1HB       ARG  17  10.176  -3.787  -2.139
  148    HG2  ARG  17          2HG       ARG  17  11.880  -5.291  -1.542
  149    HG3  ARG  17          1HG       ARG  17  10.737  -6.399  -0.779
  150    HD2  ARG  17          2HD       ARG  17  10.727  -5.704  -3.706
  151    HD3  ARG  17          1HD       ARG  17  11.521  -7.126  -3.028
  152    HE   ARG  17           HE       ARG  17   9.117  -7.490  -2.070
  153   HH11  ARG  17          1HH1      ARG  17   9.825  -6.252  -5.302
  154   HH12  ARG  17          2HH1      ARG  17   8.561  -7.106  -6.056
  155   HH21  ARG  17          1HH2      ARG  17   7.373  -8.691  -3.145
  156   HH22  ARG  17          2HH2      ARG  17   7.167  -8.507  -4.822
  157    HN1  NH2  18          1H        ARG  17  11.007  -4.436   2.054
  158    HN2  NH2  18          2H        ARG  17  12.356  -3.369   1.903
  Start of MODEL   10
    1    H1   ARG   1          1HT       ARG   1  13.332   0.892   0.657
    2    H2   ARG   1          2HT       ARG   1  12.767   0.189  -0.760
    3    H3   ARG   1          3HT       ARG   1  11.703   0.525   0.505
    4    HA   ARG   1           HA       ARG   1  12.038   2.841   0.320
    5    HB2  ARG   1          2HB       ARG   1  14.352   2.758  -0.538
    6    HB3  ARG   1          1HB       ARG   1  13.752   2.143  -2.070
    7    HG2  ARG   1          2HG       ARG   1  12.558   4.211  -2.467
    8    HG3  ARG   1          1HG       ARG   1  13.075   4.829  -0.901
    9    HD2  ARG   1          2HD       ARG   1  15.400   4.712  -1.622
   10    HD3  ARG   1          1HD       ARG   1  14.887   4.092  -3.194
   11    HE   ARG   1           HE       ARG   1  13.522   6.445  -2.734
   12   HH11  ARG   1          1HH1      ARG   1  16.924   5.539  -3.121
   13   HH12  ARG   1          2HH1      ARG   1  17.345   6.976  -3.934
   14   HH21  ARG   1          1HH2      ARG   1  14.137   8.431  -3.792
   15   HH22  ARG   1          2HH2      ARG   1  15.745   8.655  -4.305
   16    H    TRP   2           HN       TRP   2  11.649   0.518  -2.377
   17    HA   TRP   2           HA       TRP   2   9.801   2.181  -3.750
   18    HB2  TRP   2          2HB       TRP   2  11.226   0.489  -4.901
   19    HB3  TRP   2          1HB       TRP   2  10.322  -0.780  -4.087
   20    HD1  TRP   2          1HD       TRP   2   9.805   1.996  -6.723
   21    HE1  TRP   2          1HE       TRP   2   7.850   1.311  -8.247
   22    HE3  TRP   2          3HE       TRP   2   8.316  -2.225  -4.273
   23    HZ2  TRP   2          2HZ       TRP   2   5.911  -0.752  -8.374
   24    HZ3  TRP   2          3HZ       TRP   2   6.401  -3.497  -5.171
   25    HH2  TRP   2          2HH       TRP   2   5.235  -2.762  -7.178
   26    H    CYS   3           HN       CYS   3   7.775   2.478  -3.274
   27    HA   CYS   3           HA       CYS   3   6.290   0.447  -1.794
   28    HB2  CYS   3          2HB       CYS   3   6.416   3.384  -1.116
   29    HB3  CYS   3          1HB       CYS   3   5.404   2.175  -0.340
   30    H    PHE   4           HN       PHE   4   4.099   0.555  -2.101
   31    HA   PHE   4           HA       PHE   4   3.136   2.492  -4.020
   32    HB2  PHE   4          2HB       PHE   4   1.885   0.674  -5.201
   33    HB3  PHE   4          1HB       PHE   4   3.636   0.522  -5.291
   34    HD1  PHE   4          1HD       PHE   4   4.805  -1.291  -4.256
   35    HD2  PHE   4          2HD       PHE   4   0.589  -0.944  -3.921
   36    HE1  PHE   4          1HE       PHE   4   4.683  -3.618  -3.482
   37    HE2  PHE   4          2HE       PHE   4   0.453  -3.256  -3.142
   38    HZ   PHE   4           HZ       PHE   4   2.509  -4.609  -2.926
   39    H    ARG   5           HN       ARG   5   0.836   2.824  -3.869
   40    HA   ARG   5           HA       ARG   5  -0.033   2.494  -1.090
   41    HB2  ARG   5          2HB       ARG   5   0.129   4.756  -2.233
   42    HB3  ARG   5          1HB       ARG   5  -1.225   4.236  -3.225
   43    HG2  ARG   5          2HG       ARG   5  -2.579   3.969  -1.214
   44    HG3  ARG   5          1HG       ARG   5  -1.230   4.581  -0.253
   45    HD2  ARG   5          2HD       ARG   5  -1.276   6.608  -1.821
   46    HD3  ARG   5          1HD       ARG   5  -2.855   6.015  -2.331
   47    HE   ARG   5           HE       ARG   5  -2.327   6.455   0.493
   48   HH11  ARG   5          1HH1      ARG   5  -4.153   7.357  -2.408
   49   HH12  ARG   5          2HH1      ARG   5  -5.125   8.482  -1.616
   50   HH21  ARG   5          1HH2      ARG   5  -3.696   8.001   1.582
   51   HH22  ARG   5          2HH2      ARG   5  -4.888   8.848   0.714
   52    H    VAL   6           HN       VAL   6  -1.565   1.021  -0.692
   53    HA   VAL   6           HA       VAL   6  -3.393   0.357  -2.881
   54    HB   VAL   6           HB       VAL   6  -2.574  -1.459  -0.570
   55   HG11  VAL   6          1HG1      VAL   6  -4.910  -1.808  -1.234
   56   HG12  VAL   6          2HG1      VAL   6  -3.907  -3.180  -1.704
   57   HG13  VAL   6          3HG1      VAL   6  -4.407  -1.998  -2.915
   58   HG21  VAL   6          1HG2      VAL   6  -1.577  -2.859  -2.298
   59   HG22  VAL   6          2HG2      VAL   6  -0.829  -1.262  -2.234
   60   HG23  VAL   6          3HG2      VAL   6  -1.982  -1.648  -3.513
   61    H    CYS   7           HN       CYS   7  -5.428   0.857  -2.553
   62    HA   CYS   7           HA       CYS   7  -6.239   1.580   0.154
   63    HB2  CYS   7          2HB       CYS   7  -7.356   2.473  -2.517
   64    HB3  CYS   7          1HB       CYS   7  -7.987   2.936  -0.940
   65    H    TYR   8           HN       TYR   8  -7.697   0.466   1.090
   66    HA   TYR   8           HA       TYR   8  -9.323  -1.417  -0.456
   67    HB2  TYR   8          2HB       TYR   8  -7.551  -2.575   0.801
   68    HB3  TYR   8          1HB       TYR   8  -8.070  -1.730   2.258
   69    HD1  TYR   8          1HD       TYR   8  -9.512  -3.970  -0.370
   70    HD2  TYR   8          2HD       TYR   8  -9.411  -2.846   3.720
   71    HE1  TYR   8          1HE       TYR   8 -11.044  -5.798   0.158
   72    HE2  TYR   8          2HE       TYR   8 -10.937  -4.652   4.272
   73    HH   TYR   8           HH       TYR   8 -11.664  -7.166   2.107
   74    H    ARG   9           HN       ARG   9 -11.211  -0.338  -0.456
   75    HA   ARG   9           HA       ARG   9 -13.205   0.531   0.262
   76    HB2  ARG   9          2HB       ARG   9 -12.383  -0.696   2.907
   77    HB3  ARG   9          1HB       ARG   9 -13.975  -0.044   2.565
   78    HG2  ARG   9          2HG       ARG   9 -12.693  -2.395   1.178
   79    HG3  ARG   9          1HG       ARG   9 -13.942  -2.484   2.421
   80    HD2  ARG   9          2HD       ARG   9 -15.416  -1.135   0.911
   81    HD3  ARG   9          1HD       ARG   9 -14.171  -1.287  -0.329
   82    HE   ARG   9           HE       ARG   9 -14.843  -3.816   0.653
   83   HH11  ARG   9          1HH1      ARG   9 -16.080  -1.266  -1.466
   84   HH12  ARG   9          2HH1      ARG   9 -17.159  -2.295  -2.296
   85   HH21  ARG   9          1HH2      ARG   9 -16.354  -5.226  -0.528
   86   HH22  ARG   9          2HH2      ARG   9 -17.321  -4.554  -1.751
   87    H    GLY  10           HN       GLY  10 -10.660   2.032   0.560
   88    HA2  GLY  10          2HA       GLY  10 -10.697   4.415   0.968
   89    HA3  GLY  10          1HA       GLY  10 -11.646   4.097   2.414
   90    H    ILE  11           HN       ILE  11  -9.876   1.725   2.984
   91    HA   ILE  11           HA       ILE  11  -7.968   3.130   4.584
   92    HB   ILE  11           HB       ILE  11  -8.325   0.139   4.140
   93   HG12  ILE  11          2HG1      ILE  11  -9.096   0.218   6.604
   94   HG13  ILE  11          1HG1      ILE  11  -9.277   1.950   6.370
   95   HG21  ILE  11          1HG2      ILE  11  -6.045   0.585   4.757
   96   HG22  ILE  11          2HG2      ILE  11  -6.886  -0.215   6.085
   97   HG23  ILE  11          3HG2      ILE  11  -6.580   1.523   6.150
   98   HD11  ILE  11          1HD1      ILE  11 -10.696  -0.210   4.835
   99   HD12  ILE  11          2HD1      ILE  11 -10.932   1.527   4.625
  100   HD13  ILE  11          3HD1      ILE  11 -11.392   0.747   6.145
  101    H    CYS  12           HN       CYS  12  -6.376   4.040   3.470
  102    HA   CYS  12           HA       CYS  12  -5.041   2.460   1.407
  103    HB2  CYS  12          2HB       CYS  12  -4.727   5.393   2.035
  104    HB3  CYS  12          1HB       CYS  12  -4.024   4.534   0.667
  105    H    TYR  13           HN       TYR  13  -3.254   1.515   1.804
  106    HA   TYR  13           HA       TYR  13  -1.570   2.528   3.955
  107    HB2  TYR  13          2HB       TYR  13  -0.904   0.128   4.375
  108    HB3  TYR  13          1HB       TYR  13  -2.547   0.543   4.837
  109    HD1  TYR  13          1HD       TYR  13  -4.449  -0.360   3.596
  110    HD2  TYR  13          2HD       TYR  13  -0.465  -1.436   2.562
  111    HE1  TYR  13          1HE       TYR  13  -5.314  -2.239   2.315
  112    HE2  TYR  13          2HE       TYR  13  -1.311  -3.340   1.266
  113    HH   TYR  13           HH       TYR  13  -3.288  -4.742   1.151
  114    H    ARG  14           HN       ARG  14   0.672   2.125   3.720
  115    HA   ARG  14           HA       ARG  14   1.436   2.196   0.915
  116    HB2  ARG  14          2HB       ARG  14   2.129   4.078   2.379
  117    HB3  ARG  14          1HB       ARG  14   2.997   2.951   3.404
  118    HG2  ARG  14          2HG       ARG  14   4.439   2.382   1.491
  119    HG3  ARG  14          1HG       ARG  14   3.614   3.617   0.533
  120    HD2  ARG  14          2HD       ARG  14   5.683   4.529   1.409
  121    HD3  ARG  14          1HD       ARG  14   4.322   5.309   2.214
  122    HE   ARG  14           HE       ARG  14   4.898   3.291   3.879
  123   HH11  ARG  14          1HH1      ARG  14   6.966   5.773   2.452
  124   HH12  ARG  14          2HH1      ARG  14   8.042   5.827   3.761
  125   HH21  ARG  14          1HH2      ARG  14   6.371   3.346   5.651
  126   HH22  ARG  14          2HH2      ARG  14   7.694   4.425   5.644
  127    H    LYS  15           HN       LYS  15   1.844   0.223   0.169
  128    HA   LYS  15           HA       LYS  15   3.072  -1.697   1.961
  129    HB2  LYS  15          2HB       LYS  15   0.974  -2.300   0.711
  130    HB3  LYS  15          1HB       LYS  15   1.890  -2.167  -0.781
  131    HG2  LYS  15          2HG       LYS  15   3.345  -3.973  -0.088
  132    HG3  LYS  15          1HG       LYS  15   2.504  -4.064   1.463
  133    HD2  LYS  15          2HD       LYS  15   0.441  -4.671   0.318
  134    HD3  LYS  15          1HD       LYS  15   1.262  -4.578  -1.238
  135    HE2  LYS  15          2HE       LYS  15   1.097  -6.884  -0.502
  136    HE3  LYS  15          1HE       LYS  15   2.782  -6.372  -0.521
  137    HZ1  LYS  15          1HZ       LYS  15   1.071  -6.430   1.893
  138    HZ2  LYS  15          2HZ       LYS  15   2.740  -6.157   1.877
  139    HZ3  LYS  15          3HZ       LYS  15   2.112  -7.655   1.464
  140    H    CYS  16           HN       CYS  16   5.164  -2.131   1.763
  141    HA   CYS  16           HA       CYS  16   6.566  -1.141  -0.621
  142    HB2  CYS  16          2HB       CYS  16   7.609  -1.409   2.205
  143    HB3  CYS  16          1HB       CYS  16   8.450  -0.694   0.834
  144    H    ARG  17           HN       ARG  17   8.553  -2.357  -1.121
  145    HA   ARG  17           HA       ARG  17   8.282  -5.164  -0.325
  146    HB2  ARG  17          2HB       ARG  17   9.359  -4.004  -2.889
  147    HB3  ARG  17          1HB       ARG  17   9.640  -5.669  -2.415
  148    HG2  ARG  17          2HG       ARG  17   7.176  -6.008  -2.362
  149    HG3  ARG  17          1HG       ARG  17   6.985  -4.368  -2.991
  150    HD2  ARG  17          2HD       ARG  17   8.238  -4.933  -4.974
  151    HD3  ARG  17          1HD       ARG  17   8.593  -6.529  -4.324
  152    HE   ARG  17           HE       ARG  17   5.823  -6.211  -4.448
  153   HH11  ARG  17          1HH1      ARG  17   8.595  -6.554  -6.624
  154   HH12  ARG  17          2HH1      ARG  17   7.733  -7.316  -7.866
  155   HH21  ARG  17          1HH2      ARG  17   4.608  -7.288  -6.159
  156   HH22  ARG  17          2HH2      ARG  17   5.391  -7.762  -7.585
  157    HN1  NH2  18          1H        ARG  17   9.486  -5.076   1.441
  158    HN2  NH2  18          2H        ARG  17  11.181  -4.756   1.486
  Start of MODEL   11
    1    H1   ARG   1          1HT       ARG   1  14.426   2.641  -2.483
    2    H2   ARG   1          2HT       ARG   1  13.007   3.447  -2.931
    3    H3   ARG   1          3HT       ARG   1  13.562   2.162  -3.851
    4    HA   ARG   1           HA       ARG   1  13.147   0.645  -2.054
    5    HB2  ARG   1          2HB       ARG   1  13.482   2.292  -0.233
    6    HB3  ARG   1          1HB       ARG   1  12.002   3.107  -0.711
    7    HG2  ARG   1          2HG       ARG   1  11.296   1.881   1.095
    8    HG3  ARG   1          1HG       ARG   1  10.900   0.799  -0.231
    9    HD2  ARG   1          2HD       ARG   1  13.405   0.624   1.447
   10    HD3  ARG   1          1HD       ARG   1  11.949  -0.303   1.745
   11    HE   ARG   1           HE       ARG   1  13.030  -0.722  -0.900
   12   HH11  ARG   1          1HH1      ARG   1  13.225  -1.749   2.479
   13   HH12  ARG   1          2HH1      ARG   1  13.956  -3.248   2.099
   14   HH21  ARG   1          1HH2      ARG   1  14.013  -2.729  -1.382
   15   HH22  ARG   1          2HH2      ARG   1  14.416  -3.826  -0.146
   16    H    TRP   2           HN       TRP   2  11.438  -0.480  -2.903
   17    HA   TRP   2           HA       TRP   2   9.435   0.958  -4.370
   18    HB2  TRP   2          2HB       TRP   2  10.407  -1.151  -5.227
   19    HB3  TRP   2          1HB       TRP   2   9.680  -2.006  -3.866
   20    HD1  TRP   2          1HD       TRP   2   7.300  -2.768  -4.139
   21    HE1  TRP   2          1HE       TRP   2   5.423  -2.456  -5.942
   22    HE3  TRP   2          3HE       TRP   2   9.534   0.767  -7.008
   23    HZ2  TRP   2          2HZ       TRP   2   5.002  -0.886  -8.239
   24    HZ3  TRP   2          3HZ       TRP   2   8.343   1.639  -8.977
   25    HH2  TRP   2          2HH       TRP   2   6.122   0.818  -9.569
   26    H    CYS   3           HN       CYS   3   7.913   1.903  -3.399
   27    HA   CYS   3           HA       CYS   3   6.340   0.467  -1.394
   28    HB2  CYS   3          2HB       CYS   3   7.169   3.377  -1.274
   29    HB3  CYS   3          1HB       CYS   3   6.000   2.614  -0.207
   30    H    PHE   4           HN       PHE   4   4.232   0.646  -1.655
   31    HA   PHE   4           HA       PHE   4   3.231   2.614  -3.507
   32    HB2  PHE   4          2HB       PHE   4   1.906   0.861  -4.714
   33    HB3  PHE   4          1HB       PHE   4   3.652   0.696  -4.872
   34    HD1  PHE   4          1HD       PHE   4   4.826  -1.182  -3.974
   35    HD2  PHE   4          2HD       PHE   4   0.637  -0.782  -3.440
   36    HE1  PHE   4          1HE       PHE   4   4.701  -3.535  -3.281
   37    HE2  PHE   4          2HE       PHE   4   0.491  -3.117  -2.733
   38    HZ   PHE   4           HZ       PHE   4   2.533  -4.514  -2.658
   39    H    ARG   5           HN       ARG   5   1.011   3.095  -3.161
   40    HA   ARG   5           HA       ARG   5   0.181   2.359  -0.450
   41    HB2  ARG   5          2HB       ARG   5   0.638   4.784  -1.067
   42    HB3  ARG   5          1HB       ARG   5  -0.773   4.681  -2.107
   43    HG2  ARG   5          2HG       ARG   5  -2.176   4.209  -0.173
   44    HG3  ARG   5          1HG       ARG   5  -0.757   4.303   0.876
   45    HD2  ARG   5          2HD       ARG   5  -0.386   6.619   0.074
   46    HD3  ARG   5          1HD       ARG   5  -1.896   6.514  -0.826
   47    HE   ARG   5           HE       ARG   5  -1.725   6.236   2.091
   48   HH11  ARG   5          1HH1      ARG   5  -3.328   7.543  -0.761
   49   HH12  ARG   5          2HH1      ARG   5  -4.479   8.441   0.098
   50   HH21  ARG   5          1HH2      ARG   5  -3.255   7.539   3.298
   51   HH22  ARG   5          2HH2      ARG   5  -4.466   8.426   2.470
   52    H    VAL   6           HN       VAL   6  -1.431   1.013  -0.289
   53    HA   VAL   6           HA       VAL   6  -3.134   0.520  -2.617
   54    HB   VAL   6           HB       VAL   6  -2.539  -1.237  -0.204
   55   HG11  VAL   6          1HG1      VAL   6  -3.889  -2.951  -1.277
   56   HG12  VAL   6          2HG1      VAL   6  -4.273  -1.854  -2.601
   57   HG13  VAL   6          3HG1      VAL   6  -4.873  -1.518  -0.977
   58   HG21  VAL   6          1HG2      VAL   6  -1.526  -2.718  -1.840
   59   HG22  VAL   6          2HG2      VAL   6  -0.738  -1.140  -1.795
   60   HG23  VAL   6          3HG2      VAL   6  -1.849  -1.537  -3.109
   61    H    CYS   7           HN       CYS   7  -5.186   1.129  -2.501
   62    HA   CYS   7           HA       CYS   7  -6.286   1.665   0.150
   63    HB2  CYS   7          2HB       CYS   7  -7.039   2.822  -2.536
   64    HB3  CYS   7          1HB       CYS   7  -7.906   3.125  -1.034
   65    H    TYR   8           HN       TYR   8  -7.822   0.446   0.814
   66    HA   TYR   8           HA       TYR   8  -9.285  -1.215  -1.100
   67    HB2  TYR   8          2HB       TYR   8  -7.727  -2.556   0.204
   68    HB3  TYR   8          1HB       TYR   8  -8.354  -1.855   1.691
   69    HD1  TYR   8          1HD       TYR   8  -9.819  -3.132   2.905
   70    HD2  TYR   8          2HD       TYR   8  -9.642  -3.739  -1.297
   71    HE1  TYR   8          1HE       TYR   8 -11.408  -4.965   3.119
   72    HE2  TYR   8          2HE       TYR   8 -11.228  -5.588  -1.110
   73    HH   TYR   8           HH       TYR   8 -12.100  -7.134   0.505
   74    H    ARG   9           HN       ARG   9 -11.003   0.048  -1.280
   75    HA   ARG   9           HA       ARG   9 -13.027   0.975  -0.870
   76    HB2  ARG   9          2HB       ARG   9 -13.019  -0.796   1.577
   77    HB3  ARG   9          1HB       ARG   9 -14.433  -0.064   0.830
   78    HG2  ARG   9          2HG       ARG   9 -13.929  -1.394  -1.239
   79    HG3  ARG   9          1HG       ARG   9 -12.655  -2.189  -0.331
   80    HD2  ARG   9          2HD       ARG   9 -15.589  -2.213   0.343
   81    HD3  ARG   9          1HD       ARG   9 -14.655  -3.551  -0.325
   82    HE   ARG   9           HE       ARG   9 -13.753  -2.455   2.196
   83   HH11  ARG   9          1HH1      ARG   9 -15.668  -5.002   0.600
   84   HH12  ARG   9          2HH1      ARG   9 -15.593  -6.057   1.931
   85   HH21  ARG   9          1HH2      ARG   9 -13.710  -3.915   4.028
   86   HH22  ARG   9          2HH2      ARG   9 -14.517  -5.417   3.907
   87    H    GLY  10           HN       GLY  10 -10.648   2.228   0.268
   88    HA2  GLY  10          2HA       GLY  10 -10.931   4.506   1.174
   89    HA3  GLY  10          1HA       GLY  10 -11.974   3.789   2.396
   90    H    ILE  11           HN       ILE  11 -10.156   1.444   2.689
   91    HA   ILE  11           HA       ILE  11  -8.417   2.648   4.638
   92    HB   ILE  11           HB       ILE  11  -8.666  -0.281   3.812
   93   HG12  ILE  11          2HG1      ILE  11  -9.719  -0.542   6.127
   94   HG13  ILE  11          1HG1      ILE  11  -9.853   1.207   6.176
   95   HG21  ILE  11          1HG2      ILE  11  -7.174   0.905   6.143
   96   HG22  ILE  11          2HG2      ILE  11  -6.474   0.130   4.721
   97   HG23  ILE  11          3HG2      ILE  11  -7.429  -0.819   5.862
   98   HD11  ILE  11          1HD1      ILE  11 -11.167  -0.630   4.184
   99   HD12  ILE  11          2HD1      ILE  11 -11.342   1.124   4.232
  100   HD13  ILE  11          3HD1      ILE  11 -11.957   0.139   5.563
  101    H    CYS  12           HN       CYS  12  -6.692   3.667   3.826
  102    HA   CYS  12           HA       CYS  12  -5.220   2.342   1.672
  103    HB2  CYS  12          2HB       CYS  12  -5.013   5.213   2.595
  104    HB3  CYS  12          1HB       CYS  12  -4.168   4.477   1.237
  105    H    TYR  13           HN       TYR  13  -3.316   1.511   2.025
  106    HA   TYR  13           HA       TYR  13  -1.757   2.464   4.277
  107    HB2  TYR  13          2HB       TYR  13  -1.079   0.129   4.835
  108    HB3  TYR  13          1HB       TYR  13  -2.777   0.444   5.137
  109    HD1  TYR  13          1HD       TYR  13  -4.497  -0.646   3.775
  110    HD2  TYR  13          2HD       TYR  13  -0.366  -1.430   3.119
  111    HE1  TYR  13          1HE       TYR  13  -5.094  -2.630   2.482
  112    HE2  TYR  13          2HE       TYR  13  -0.945  -3.422   1.815
  113    HH   TYR  13           HH       TYR  13  -2.770  -4.976   1.589
  114    H    ARG  14           HN       ARG  14   0.439   2.320   4.016
  115    HA   ARG  14           HA       ARG  14   1.272   2.202   1.238
  116    HB2  ARG  14          2HB       ARG  14   1.793   4.199   2.592
  117    HB3  ARG  14          1HB       ARG  14   2.678   3.191   3.720
  118    HG2  ARG  14          2HG       ARG  14   4.260   2.616   1.925
  119    HG3  ARG  14          1HG       ARG  14   3.387   3.708   0.843
  120    HD2  ARG  14          2HD       ARG  14   3.831   5.567   2.353
  121    HD3  ARG  14          1HD       ARG  14   4.680   4.484   3.444
  122    HE   ARG  14           HE       ARG  14   5.573   4.889   0.693
  123   HH11  ARG  14          1HH1      ARG  14   6.278   4.854   4.183
  124   HH12  ARG  14          2HH1      ARG  14   7.888   5.346   4.015
  125   HH21  ARG  14          1HH2      ARG  14   7.838   5.570   0.472
  126   HH22  ARG  14          2HH2      ARG  14   8.785   5.781   1.864
  127    H    LYS  15           HN       LYS  15   2.121   0.369   0.559
  128    HA   LYS  15           HA       LYS  15   3.281  -1.438   2.538
  129    HB2  LYS  15          2HB       LYS  15   1.256  -2.199   1.260
  130    HB3  LYS  15          1HB       LYS  15   2.208  -2.085  -0.212
  131    HG2  LYS  15          2HG       LYS  15   3.722  -3.779   0.595
  132    HG3  LYS  15          1HG       LYS  15   2.861  -3.833   2.134
  133    HD2  LYS  15          2HD       LYS  15   0.813  -4.509   0.872
  134    HD3  LYS  15          1HD       LYS  15   1.814  -4.639  -0.575
  135    HE2  LYS  15          2HE       LYS  15   1.554  -6.823   0.452
  136    HE3  LYS  15          1HE       LYS  15   3.228  -6.292   0.580
  137    HZ1  LYS  15          1HZ       LYS  15   2.440  -7.248   2.666
  138    HZ2  LYS  15          2HZ       LYS  15   1.206  -6.106   2.758
  139    HZ3  LYS  15          3HZ       LYS  15   2.798  -5.619   2.875
  140    H    CYS  16           HN       CYS  16   5.383  -1.898   2.333
  141    HA   CYS  16           HA       CYS  16   6.756  -0.974  -0.086
  142    HB2  CYS  16          2HB       CYS  16   7.750  -1.019   2.763
  143    HB3  CYS  16          1HB       CYS  16   8.745  -0.641   1.363
  144    H    ARG  17           HN       ARG  17   8.246  -2.282  -0.977
  145    HA   ARG  17           HA       ARG  17   8.604  -4.919   0.259
  146    HB2  ARG  17          2HB       ARG  17   8.744  -4.236  -2.695
  147    HB3  ARG  17          1HB       ARG  17   9.011  -5.823  -2.004
  148    HG2  ARG  17          2HG       ARG  17   6.640  -5.767  -1.188
  149    HG3  ARG  17          1HG       ARG  17   6.430  -4.289  -2.130
  150    HD2  ARG  17          2HD       ARG  17   5.658  -6.112  -3.477
  151    HD3  ARG  17          1HD       ARG  17   7.197  -5.564  -4.141
  152    HE   ARG  17           HE       ARG  17   7.380  -7.733  -2.251
  153   HH11  ARG  17          1HH1      ARG  17   7.174  -6.918  -5.691
  154   HH12  ARG  17          2HH1      ARG  17   7.721  -8.445  -6.213
  155   HH21  ARG  17          1HH2      ARG  17   8.098  -9.818  -2.984
  156   HH22  ARG  17          2HH2      ARG  17   8.259 -10.131  -4.643
  157    HN1  NH2  18          1H        ARG  17  10.431  -4.613   1.335
  158    HN2  NH2  18          2H        ARG  17  11.891  -3.962   0.674
  Start of MODEL   12
    1    H1   ARG   1          1HT       ARG   1  13.466  -1.913  -3.040
    2    H2   ARG   1          2HT       ARG   1  12.506  -1.201  -4.235
    3    H3   ARG   1          3HT       ARG   1  11.805  -1.834  -2.831
    4    HA   ARG   1           HA       ARG   1  12.903  -0.279  -1.444
    5    HB2  ARG   1          2HB       ARG   1  14.113   1.622  -2.388
    6    HB3  ARG   1          1HB       ARG   1  14.911   0.098  -2.733
    7    HG2  ARG   1          2HG       ARG   1  14.220   0.151  -5.007
    8    HG3  ARG   1          1HG       ARG   1  13.106   1.487  -4.707
    9    HD2  ARG   1          2HD       ARG   1  15.177   2.189  -5.830
   10    HD3  ARG   1          1HD       ARG   1  14.960   2.974  -4.270
   11    HE   ARG   1           HE       ARG   1  16.767   0.713  -4.786
   12   HH11  ARG   1          1HH1      ARG   1  15.932   3.648  -2.946
   13   HH12  ARG   1          2HH1      ARG   1  17.409   3.708  -2.120
   14   HH21  ARG   1          1HH2      ARG   1  18.837   0.852  -3.650
   15   HH22  ARG   1          2HH2      ARG   1  19.097   2.116  -2.539
   16    H    TRP   2           HN       TRP   2  10.651  -0.359  -3.952
   17    HA   TRP   2           HA       TRP   2   9.919   2.372  -3.463
   18    HB2  TRP   2          2HB       TRP   2   9.035   0.468  -5.629
   19    HB3  TRP   2          1HB       TRP   2   8.338   2.075  -5.396
   20    HD1  TRP   2          1HD       TRP   2  10.285   4.132  -5.378
   21    HE1  TRP   2          1HE       TRP   2  12.290   4.423  -6.944
   22    HE3  TRP   2          3HE       TRP   2  10.632  -0.650  -7.147
   23    HZ2  TRP   2          2HZ       TRP   2  13.822   2.848  -8.711
   24    HZ3  TRP   2          3HZ       TRP   2  12.403  -1.162  -8.785
   25    HH2  TRP   2          2HH       TRP   2  13.956   0.550  -9.543
   26    H    CYS   3           HN       CYS   3   8.152   3.035  -2.597
   27    HA   CYS   3           HA       CYS   3   6.567   1.025  -1.177
   28    HB2  CYS   3          2HB       CYS   3   6.971   3.943  -0.569
   29    HB3  CYS   3          1HB       CYS   3   6.180   2.760   0.464
   30    H    PHE   4           HN       PHE   4   4.501   0.875  -1.669
   31    HA   PHE   4           HA       PHE   4   3.376   3.050  -3.209
   32    HB2  PHE   4          2HB       PHE   4   2.136   1.353  -4.541
   33    HB3  PHE   4          1HB       PHE   4   3.897   1.287  -4.679
   34    HD1  PHE   4          1HD       PHE   4   0.959  -0.430  -3.314
   35    HD2  PHE   4          2HD       PHE   4   5.138  -0.632  -4.055
   36    HE1  PHE   4          1HE       PHE   4   0.913  -2.813  -2.832
   37    HE2  PHE   4          2HE       PHE   4   5.115  -3.034  -3.575
   38    HZ   PHE   4           HZ       PHE   4   3.005  -4.146  -2.966
   39    H    ARG   5           HN       ARG   5   0.976   3.091  -3.094
   40    HA   ARG   5           HA       ARG   5   0.194   2.305  -0.381
   41    HB2  ARG   5          2HB       ARG   5   0.539   4.790  -0.946
   42    HB3  ARG   5          1HB       ARG   5  -0.914   4.642  -1.920
   43    HG2  ARG   5          2HG       ARG   5  -2.182   4.011   0.067
   44    HG3  ARG   5          1HG       ARG   5  -0.720   4.154   1.044
   45    HD2  ARG   5          2HD       ARG   5  -0.550   6.538   0.257
   46    HD3  ARG   5          1HD       ARG   5  -2.149   6.337  -0.455
   47    HE   ARG   5           HE       ARG   5  -1.660   5.924   2.413
   48   HH11  ARG   5          1HH1      ARG   5  -3.431   7.603  -0.169
   49   HH12  ARG   5          2HH1      ARG   5  -4.551   8.327   0.881
   50   HH21  ARG   5          1HH2      ARG   5  -3.184   6.951   3.844
   51   HH22  ARG   5          2HH2      ARG   5  -4.410   7.958   3.229
   52    H    VAL   6           HN       VAL   6  -1.398   0.914  -0.324
   53    HA   VAL   6           HA       VAL   6  -2.975   0.483  -2.771
   54    HB   VAL   6           HB       VAL   6  -2.524  -1.455  -0.466
   55   HG11  VAL   6          1HG1      VAL   6  -3.767  -1.889  -3.179
   56   HG12  VAL   6          2HG1      VAL   6  -4.627  -1.836  -1.639
   57   HG13  VAL   6          3HG1      VAL   6  -3.468  -3.128  -1.960
   58   HG21  VAL   6          1HG2      VAL   6  -0.475  -1.072  -1.663
   59   HG22  VAL   6          2HG2      VAL   6  -1.287  -1.398  -3.194
   60   HG23  VAL   6          3HG2      VAL   6  -1.105  -2.683  -1.998
   61    H    CYS   7           HN       CYS   7  -5.212   0.467  -2.634
   62    HA   CYS   7           HA       CYS   7  -6.263   1.336  -0.054
   63    HB2  CYS   7          2HB       CYS   7  -7.100   2.207  -2.811
   64    HB3  CYS   7          1HB       CYS   7  -7.921   2.621  -1.307
   65    H    TYR   8           HN       TYR   8  -7.859   0.294   0.762
   66    HA   TYR   8           HA       TYR   8  -9.481  -1.488  -0.906
   67    HB2  TYR   8          2HB       TYR   8  -7.958  -2.878   0.356
   68    HB3  TYR   8          1HB       TYR   8  -8.316  -1.967   1.826
   69    HD1  TYR   8          1HD       TYR   8  -9.763  -2.928   3.334
   70    HD2  TYR   8          2HD       TYR   8 -10.155  -3.987  -0.768
   71    HE1  TYR   8          1HE       TYR   8 -11.547  -4.484   3.918
   72    HE2  TYR   8          2HE       TYR   8 -11.947  -5.553  -0.197
   73    HH   TYR   8           HH       TYR   8 -12.702  -6.823   1.797
   74    H    ARG   9           HN       ARG   9 -11.307  -0.288  -0.993
   75    HA   ARG   9           HA       ARG   9 -13.253   0.713  -0.406
   76    HB2  ARG   9          2HB       ARG   9 -12.815  -0.731   2.207
   77    HB3  ARG   9          1HB       ARG   9 -14.313   0.044   1.730
   78    HG2  ARG   9          2HG       ARG   9 -14.377  -1.530  -0.236
   79    HG3  ARG   9          1HG       ARG   9 -13.003  -2.352   0.491
   80    HD2  ARG   9          2HD       ARG   9 -15.111  -3.437   1.103
   81    HD3  ARG   9          1HD       ARG   9 -14.262  -2.788   2.507
   82    HE   ARG   9           HE       ARG   9 -16.074  -0.877   1.523
   83   HH11  ARG   9          1HH1      ARG   9 -16.053  -3.909   3.339
   84   HH12  ARG   9          2HH1      ARG   9 -17.526  -3.601   4.137
   85   HH21  ARG   9          1HH2      ARG   9 -18.076  -0.439   2.634
   86   HH22  ARG   9          2HH2      ARG   9 -18.714  -1.578   3.721
   87    H    GLY  10           HN       GLY  10 -10.721   2.077   0.202
   88    HA2  GLY  10          2HA       GLY  10 -10.730   4.417   0.841
   89    HA3  GLY  10          1HA       GLY  10 -11.812   3.979   2.154
   90    H    ILE  11           HN       ILE  11 -10.081   1.510   2.625
   91    HA   ILE  11           HA       ILE  11  -8.270   2.789   4.444
   92    HB   ILE  11           HB       ILE  11  -8.594  -0.161   3.745
   93   HG12  ILE  11          2HG1      ILE  11  -9.467  -0.324   6.138
   94   HG13  ILE  11          1HG1      ILE  11  -9.592   1.430   6.117
   95   HG21  ILE  11          1HG2      ILE  11  -7.214  -0.669   5.706
   96   HG22  ILE  11          2HG2      ILE  11  -6.917   1.056   5.933
   97   HG23  ILE  11          3HG2      ILE  11  -6.338   0.243   4.479
   98   HD11  ILE  11          1HD1      ILE  11 -11.024  -0.486   4.304
   99   HD12  ILE  11          2HD1      ILE  11 -11.200   1.269   4.291
  100   HD13  ILE  11          3HD1      ILE  11 -11.729   0.336   5.698
  101    H    CYS  12           HN       CYS  12  -6.636   3.787   3.442
  102    HA   CYS  12           HA       CYS  12  -5.241   2.277   1.393
  103    HB2  CYS  12          2HB       CYS  12  -5.144   5.233   2.031
  104    HB3  CYS  12          1HB       CYS  12  -4.233   4.437   0.756
  105    H    TYR  13           HN       TYR  13  -3.360   1.444   1.862
  106    HA   TYR  13           HA       TYR  13  -1.976   2.406   4.250
  107    HB2  TYR  13          2HB       TYR  13  -1.334   0.027   4.711
  108    HB3  TYR  13          1HB       TYR  13  -3.040   0.378   4.923
  109    HD1  TYR  13          1HD       TYR  13  -4.698  -0.671   3.516
  110    HD2  TYR  13          2HD       TYR  13  -0.559  -1.353   2.818
  111    HE1  TYR  13          1HE       TYR  13  -5.277  -2.543   2.071
  112    HE2  TYR  13          2HE       TYR  13  -1.119  -3.251   1.354
  113    HH   TYR  13           HH       TYR  13  -4.313  -3.880   0.251
  114    H    ARG  14           HN       ARG  14   0.213   2.306   4.254
  115    HA   ARG  14           HA       ARG  14   1.487   2.407   1.686
  116    HB2  ARG  14          2HB       ARG  14   2.068   4.026   3.426
  117    HB3  ARG  14          1HB       ARG  14   2.560   2.725   4.494
  118    HG2  ARG  14          2HG       ARG  14   4.342   2.140   2.869
  119    HG3  ARG  14          1HG       ARG  14   3.901   3.566   1.931
  120    HD2  ARG  14          2HD       ARG  14   4.358   4.970   3.908
  121    HD3  ARG  14          1HD       ARG  14   4.839   3.526   4.796
  122    HE   ARG  14           HE       ARG  14   6.216   4.220   2.323
  123   HH11  ARG  14          1HH1      ARG  14   6.356   3.933   5.856
  124   HH12  ARG  14          2HH1      ARG  14   8.056   4.081   5.921
  125   HH21  ARG  14          1HH2      ARG  14   8.554   4.397   2.447
  126   HH22  ARG  14          2HH2      ARG  14   9.320   4.324   3.964
  127    H    LYS  15           HN       LYS  15   2.027   0.554   0.745
  128    HA   LYS  15           HA       LYS  15   3.108  -1.581   2.422
  129    HB2  LYS  15          2HB       LYS  15   1.024  -2.140   1.171
  130    HB3  LYS  15          1HB       LYS  15   1.855  -1.758  -0.328
  131    HG2  LYS  15          2HG       LYS  15   3.393  -3.587   0.008
  132    HG3  LYS  15          1HG       LYS  15   2.671  -3.927   1.585
  133    HD2  LYS  15          2HD       LYS  15   0.538  -4.414   0.501
  134    HD3  LYS  15          1HD       LYS  15   1.261  -4.086  -1.074
  135    HE2  LYS  15          2HE       LYS  15   2.807  -5.932  -0.762
  136    HE3  LYS  15          1HE       LYS  15   2.148  -6.248   0.839
  137    HZ1  LYS  15          1HZ       LYS  15   0.710  -6.457  -1.733
  138    HZ2  LYS  15          2HZ       LYS  15  -0.010  -6.654  -0.230
  139    HZ3  LYS  15          3HZ       LYS  15   1.174  -7.749  -0.751
  140    H    CYS  16           HN       CYS  16   5.264  -1.800   2.211
  141    HA   CYS  16           HA       CYS  16   6.428  -0.847  -0.293
  142    HB2  CYS  16          2HB       CYS  16   6.610   0.852   1.532
  143    HB3  CYS  16          1HB       CYS  16   7.551  -0.311   2.453
  144    H    ARG  17           HN       ARG  17   8.351  -1.831  -0.889
  145    HA   ARG  17           HA       ARG  17   9.231  -4.075   0.697
  146    HB2  ARG  17          2HB       ARG  17   9.314  -5.536  -1.335
  147    HB3  ARG  17          1HB       ARG  17   7.685  -5.116  -0.842
  148    HG2  ARG  17          2HG       ARG  17   7.657  -3.379  -2.629
  149    HG3  ARG  17          1HG       ARG  17   9.236  -3.969  -3.154
  150    HD2  ARG  17          2HD       ARG  17   6.667  -5.551  -3.069
  151    HD3  ARG  17          1HD       ARG  17   7.478  -4.945  -4.509
  152    HE   ARG  17           HE       ARG  17   9.382  -6.437  -3.415
  153   HH11  ARG  17          1HH1      ARG  17   6.005  -7.134  -4.181
  154   HH12  ARG  17          2HH1      ARG  17   6.220  -8.817  -4.341
  155   HH21  ARG  17          1HH2      ARG  17   9.696  -8.740  -3.632
  156   HH22  ARG  17          2HH2      ARG  17   8.377  -9.755  -3.985
  157    HN1  NH2  18          1H        ARG  17  11.150  -3.344   1.184
  158    HN2  NH2  18          2H        ARG  17  12.303  -2.670   0.087
  Start of MODEL   13
    1    H1   ARG   1          1HT       ARG   1  12.563   2.945   0.292
    2    H2   ARG   1          2HT       ARG   1  13.657   2.747  -0.966
    3    H3   ARG   1          3HT       ARG   1  13.985   2.069   0.543
    4    HA   ARG   1           HA       ARG   1  13.197   0.390  -1.044
    5    HB2  ARG   1          2HB       ARG   1  12.618   0.254   1.419
    6    HB3  ARG   1          1HB       ARG   1  11.098   1.049   1.045
    7    HG2  ARG   1          2HG       ARG   1  10.608  -1.243   1.203
    8    HG3  ARG   1          1HG       ARG   1  10.634  -0.889  -0.526
    9    HD2  ARG   1          2HD       ARG   1  11.808  -2.959  -0.119
   10    HD3  ARG   1          1HD       ARG   1  12.974  -1.725  -0.602
   11    HE   ARG   1           HE       ARG   1  12.653  -1.871   2.221
   12   HH11  ARG   1          1HH1      ARG   1  14.388  -3.372  -0.477
   13   HH12  ARG   1          2HH1      ARG   1  15.614  -4.012   0.510
   14   HH21  ARG   1          1HH2      ARG   1  14.305  -2.763   3.542
   15   HH22  ARG   1          2HH2      ARG   1  15.568  -3.672   2.857
   16    H    TRP   2           HN       TRP   2  11.672  -0.142  -2.684
   17    HA   TRP   2           HA       TRP   2  10.080   2.071  -3.530
   18    HB2  TRP   2          2HB       TRP   2  10.538  -0.673  -4.719
   19    HB3  TRP   2          1HB       TRP   2   9.381   0.469  -5.396
   20    HD1  TRP   2          1HD       TRP   2  10.390   2.773  -6.395
   21    HE1  TRP   2          1HE       TRP   2  12.674   3.303  -7.423
   22    HE3  TRP   2          3HE       TRP   2  13.018  -1.243  -4.653
   23    HZ2  TRP   2          2HZ       TRP   2  15.262   2.158  -7.495
   24    HZ3  TRP   2          3HZ       TRP   2  15.376  -1.454  -5.243
   25    HH2  TRP   2          2HH       TRP   2  16.478   0.209  -6.634
   26    H    CYS   3           HN       CYS   3   8.181   2.471  -2.878
   27    HA   CYS   3           HA       CYS   3   6.555   0.289  -1.772
   28    HB2  CYS   3          2HB       CYS   3   6.716   3.139  -0.780
   29    HB3  CYS   3          1HB       CYS   3   5.747   1.845  -0.088
   30    H    PHE   4           HN       PHE   4   4.292   0.591  -1.919
   31    HA   PHE   4           HA       PHE   4   3.375   2.602  -3.798
   32    HB2  PHE   4          2HB       PHE   4   2.059   0.838  -5.015
   33    HB3  PHE   4          1HB       PHE   4   3.804   0.655  -5.161
   34    HD1  PHE   4          1HD       PHE   4   4.954  -1.242  -4.222
   35    HD2  PHE   4          2HD       PHE   4   0.756  -0.785  -3.730
   36    HE1  PHE   4          1HE       PHE   4   4.790  -3.575  -3.491
   37    HE2  PHE   4          2HE       PHE   4   0.581  -3.108  -2.985
   38    HZ   PHE   4           HZ       PHE   4   2.607  -4.524  -2.866
   39    H    ARG   5           HN       ARG   5   1.100   3.071  -3.501
   40    HA   ARG   5           HA       ARG   5   0.292   2.261  -0.811
   41    HB2  ARG   5          2HB       ARG   5   0.655   4.729  -1.388
   42    HB3  ARG   5          1HB       ARG   5  -0.817   4.612  -2.342
   43    HG2  ARG   5          2HG       ARG   5  -2.104   4.075  -0.387
   44    HG3  ARG   5          1HG       ARG   5  -0.645   3.984   0.596
   45    HD2  ARG   5          2HD       ARG   5  -0.234   6.394   0.014
   46    HD3  ARG   5          1HD       ARG   5  -1.846   6.421  -0.699
   47    HE   ARG   5           HE       ARG   5  -1.835   5.445   1.993
   48   HH11  ARG   5          1HH1      ARG   5  -1.843   8.422   0.083
   49   HH12  ARG   5          2HH1      ARG   5  -2.533   9.359   1.335
   50   HH21  ARG   5          1HH2      ARG   5  -2.776   6.726   3.665
   51   HH22  ARG   5          2HH2      ARG   5  -3.044   8.380   3.425
   52    H    VAL   6           HN       VAL   6  -1.456   1.134  -0.468
   53    HA   VAL   6           HA       VAL   6  -3.133   0.453  -2.785
   54    HB   VAL   6           HB       VAL   6  -2.357  -1.226  -0.365
   55   HG11  VAL   6          1HG1      VAL   6  -3.701  -3.034  -1.327
   56   HG12  VAL   6          2HG1      VAL   6  -4.267  -1.946  -2.595
   57   HG13  VAL   6          3HG1      VAL   6  -4.712  -1.648  -0.916
   58   HG21  VAL   6          1HG2      VAL   6  -0.674  -1.126  -2.087
   59   HG22  VAL   6          2HG2      VAL   6  -1.862  -1.597  -3.302
   60   HG23  VAL   6          3HG2      VAL   6  -1.408  -2.727  -2.026
   61    H    CYS   7           HN       CYS   7  -5.300   0.661  -2.564
   62    HA   CYS   7           HA       CYS   7  -6.295   1.650   0.005
   63    HB2  CYS   7          2HB       CYS   7  -7.358   2.042  -2.795
   64    HB3  CYS   7          1HB       CYS   7  -8.164   2.581  -1.326
   65    H    TYR   8           HN       TYR   8  -7.606   0.435   1.048
   66    HA   TYR   8           HA       TYR   8  -9.015  -1.696  -0.378
   67    HB2  TYR   8          2HB       TYR   8  -7.164  -2.621   0.934
   68    HB3  TYR   8          1HB       TYR   8  -7.750  -1.770   2.360
   69    HD1  TYR   8          1HD       TYR   8  -9.424  -2.703   3.733
   70    HD2  TYR   8          2HD       TYR   8  -8.561  -4.499  -0.028
   71    HE1  TYR   8          1HE       TYR   8 -10.793  -4.618   4.348
   72    HE2  TYR   8          2HE       TYR   8  -9.934  -6.436   0.583
   73    HH   TYR   8           HH       TYR   8 -11.998  -6.441   3.338
   74    H    ARG   9           HN       ARG   9 -10.939  -0.686  -0.517
   75    HA   ARG   9           HA       ARG   9 -13.002   0.034   0.075
   76    HB2  ARG   9          2HB       ARG   9 -12.299  -1.464   2.600
   77    HB3  ARG   9          1HB       ARG   9 -13.900  -0.830   2.255
   78    HG2  ARG   9          2HG       ARG   9 -12.456  -2.866   0.559
   79    HG3  ARG   9          1HG       ARG   9 -13.668  -3.255   1.778
   80    HD2  ARG   9          2HD       ARG   9 -15.292  -1.844   0.535
   81    HD3  ARG   9          1HD       ARG   9 -14.078  -1.614  -0.720
   82    HE   ARG   9           HE       ARG   9 -14.246  -4.291  -0.514
   83   HH11  ARG   9          1HH1      ARG   9 -16.702  -1.780  -0.975
   84   HH12  ARG   9          2HH1      ARG   9 -17.769  -2.768  -1.850
   85   HH21  ARG   9          1HH2      ARG   9 -15.734  -5.658  -1.748
   86   HH22  ARG   9          2HH2      ARG   9 -17.200  -5.021  -2.317
   87    H    GLY  10           HN       GLY  10 -10.748   1.790   0.616
   88    HA2  GLY  10          2HA       GLY  10 -11.280   4.122   1.234
   89    HA3  GLY  10          1HA       GLY  10 -11.990   3.474   2.705
   90    H    ILE  11           HN       ILE  11  -9.805   1.526   3.042
   91    HA   ILE  11           HA       ILE  11  -8.038   3.318   4.453
   92    HB   ILE  11           HB       ILE  11  -7.948   0.272   4.314
   93   HG12  ILE  11          2HG1      ILE  11  -8.771   0.426   6.741
   94   HG13  ILE  11          1HG1      ILE  11  -9.203   2.089   6.391
   95   HG21  ILE  11          1HG2      ILE  11  -5.794   1.224   4.889
   96   HG22  ILE  11          2HG2      ILE  11  -6.488   0.374   6.266
   97   HG23  ILE  11          3HG2      ILE  11  -6.528   2.137   6.208
   98   HD11  ILE  11          1HD1      ILE  11 -11.123   0.586   6.267
   99   HD12  ILE  11          2HD1      ILE  11 -10.308  -0.349   5.009
  100   HD13  ILE  11          3HD1      ILE  11 -10.782   1.320   4.699
  101    H    CYS  12           HN       CYS  12  -6.585   4.280   3.173
  102    HA   CYS  12           HA       CYS  12  -5.177   2.633   1.199
  103    HB2  CYS  12          2HB       CYS  12  -5.155   5.638   1.491
  104    HB3  CYS  12          1HB       CYS  12  -4.395   4.681   0.219
  105    H    TYR  13           HN       TYR  13  -3.407   1.778   1.827
  106    HA   TYR  13           HA       TYR  13  -1.761   3.246   3.740
  107    HB2  TYR  13          2HB       TYR  13  -1.116   1.088   4.760
  108    HB3  TYR  13          1HB       TYR  13  -2.822   1.469   4.938
  109    HD1  TYR  13          1HD       TYR  13  -0.389  -0.792   3.399
  110    HD2  TYR  13          2HD       TYR  13  -4.519   0.140   3.778
  111    HE1  TYR  13          1HE       TYR  13  -0.967  -3.000   2.510
  112    HE2  TYR  13          2HE       TYR  13  -5.112  -2.048   2.900
  113    HH   TYR  13           HH       TYR  13  -2.973  -4.541   2.751
  114    H    ARG  14           HN       ARG  14   0.431   3.060   3.514
  115    HA   ARG  14           HA       ARG  14   1.333   2.387   0.866
  116    HB2  ARG  14          2HB       ARG  14   2.180   4.400   1.955
  117    HB3  ARG  14          1HB       ARG  14   2.822   3.432   3.274
  118    HG2  ARG  14          2HG       ARG  14   4.375   2.355   1.742
  119    HG3  ARG  14          1HG       ARG  14   3.725   3.309   0.406
  120    HD2  ARG  14          2HD       ARG  14   5.798   4.265   1.258
  121    HD3  ARG  14          1HD       ARG  14   4.442   5.359   1.508
  122    HE   ARG  14           HE       ARG  14   4.900   3.712   3.786
  123   HH11  ARG  14          1HH1      ARG  14   6.127   6.580   2.140
  124   HH12  ARG  14          2HH1      ARG  14   6.786   7.280   3.552
  125   HH21  ARG  14          1HH2      ARG  14   5.750   4.661   5.701
  126   HH22  ARG  14          2HH2      ARG  14   6.538   6.178   5.628
  127    H    LYS  15           HN       LYS  15   2.117   0.504   0.298
  128    HA   LYS  15           HA       LYS  15   2.997  -1.338   2.400
  129    HB2  LYS  15          2HB       LYS  15   0.912  -1.882   1.004
  130    HB3  LYS  15          1HB       LYS  15   2.001  -2.042  -0.363
  131    HG2  LYS  15          2HG       LYS  15   3.200  -3.819   0.804
  132    HG3  LYS  15          1HG       LYS  15   2.081  -3.672   2.161
  133    HD2  LYS  15          2HD       LYS  15   0.219  -4.157   0.547
  134    HD3  LYS  15          1HD       LYS  15   1.454  -4.520  -0.661
  135    HE2  LYS  15          2HE       LYS  15   1.036  -5.924   1.977
  136    HE3  LYS  15          1HE       LYS  15   0.677  -6.558   0.377
  137    HZ1  LYS  15          1HZ       LYS  15   3.387  -5.912   1.428
  138    HZ2  LYS  15          2HZ       LYS  15   3.060  -6.478  -0.125
  139    HZ3  LYS  15          3HZ       LYS  15   2.729  -7.443   1.205
  140    H    CYS  16           HN       CYS  16   5.050  -2.207   2.095
  141    HA   CYS  16           HA       CYS  16   6.478  -1.138  -0.224
  142    HB2  CYS  16          2HB       CYS  16   7.511  -1.692   2.552
  143    HB3  CYS  16          1HB       CYS  16   8.505  -1.177   1.190
  144    H    ARG  17           HN       ARG  17   7.664  -2.457  -1.456
  145    HA   ARG  17           HA       ARG  17   7.854  -5.264  -0.667
  146    HB2  ARG  17          2HB       ARG  17   5.903  -5.043  -2.102
  147    HB3  ARG  17          1HB       ARG  17   6.849  -4.163  -3.289
  148    HG2  ARG  17          2HG       ARG  17   8.161  -6.165  -3.743
  149    HG3  ARG  17          1HG       ARG  17   7.234  -7.053  -2.532
  150    HD2  ARG  17          2HD       ARG  17   6.416  -7.478  -4.804
  151    HD3  ARG  17          1HD       ARG  17   5.201  -6.708  -3.788
  152    HE   ARG  17           HE       ARG  17   6.757  -4.861  -5.340
  153   HH11  ARG  17          1HH1      ARG  17   3.864  -6.886  -5.310
  154   HH12  ARG  17          2HH1      ARG  17   3.070  -5.995  -6.522
  155   HH21  ARG  17          1HH2      ARG  17   5.678  -3.651  -6.976
  156   HH22  ARG  17          2HH2      ARG  17   4.104  -4.102  -7.484
  157    HN1  NH2  18          1H        ARG  17   9.992  -5.185  -0.347
  158    HN2  NH2  18          2H        ARG  17  11.166  -4.773  -1.542
  Start of MODEL   14
    1    H1   ARG   1          1HT       ARG   1  12.425  -0.985  -0.918
    2    H2   ARG   1          2HT       ARG   1  11.922  -0.261   0.505
    3    H3   ARG   1          3HT       ARG   1  13.566  -0.416   0.191
    4    HA   ARG   1           HA       ARG   1  12.792   1.826  -0.106
    5    HB2  ARG   1          2HB       ARG   1  13.762   0.332  -2.511
    6    HB3  ARG   1          1HB       ARG   1  13.439   2.051  -2.598
    7    HG2  ARG   1          2HG       ARG   1  15.069   2.437  -0.820
    8    HG3  ARG   1          1HG       ARG   1  15.400   0.702  -0.757
    9    HD2  ARG   1          2HD       ARG   1  17.032   1.998  -2.106
   10    HD3  ARG   1          1HD       ARG   1  16.218   0.718  -3.010
   11    HE   ARG   1           HE       ARG   1  14.842   3.170  -3.279
   12   HH11  ARG   1          1HH1      ARG   1  17.869   1.702  -4.304
   13   HH12  ARG   1          2HH1      ARG   1  17.888   2.397  -5.841
   14   HH21  ARG   1          1HH2      ARG   1  14.820   4.165  -5.400
   15   HH22  ARG   1          2HH2      ARG   1  16.103   3.874  -6.479
   16    H    TRP   2           HN       TRP   2  11.507  -0.096  -2.834
   17    HA   TRP   2           HA       TRP   2   9.717   1.943  -3.583
   18    HB2  TRP   2          2HB       TRP   2  10.645   0.325  -5.176
   19    HB3  TRP   2          1HB       TRP   2   9.735  -0.958  -4.383
   20    HD1  TRP   2          1HD       TRP   2   7.330  -1.290  -5.097
   21    HE1  TRP   2          1HE       TRP   2   5.700  -0.114  -6.779
   22    HE3  TRP   2          3HE       TRP   2  10.117   2.827  -6.138
   23    HZ2  TRP   2          2HZ       TRP   2   5.657   2.259  -8.292
   24    HZ3  TRP   2          3HZ       TRP   2   9.228   4.510  -7.698
   25    HH2  TRP   2          2HH       TRP   2   7.043   4.222  -8.750
   26    H    CYS   3           HN       CYS   3   8.035   2.531  -2.654
   27    HA   CYS   3           HA       CYS   3   6.249   0.545  -1.494
   28    HB2  CYS   3          2HB       CYS   3   6.769   3.319  -0.391
   29    HB3  CYS   3          1HB       CYS   3   5.694   2.094   0.270
   30    H    PHE   4           HN       PHE   4   4.182   0.812  -1.942
   31    HA   PHE   4           HA       PHE   4   3.451   3.056  -3.631
   32    HB2  PHE   4          2HB       PHE   4   2.169   1.406  -5.068
   33    HB3  PHE   4          1HB       PHE   4   3.930   1.311  -5.146
   34    HD1  PHE   4          1HD       PHE   4   5.080  -0.661  -4.629
   35    HD2  PHE   4          2HD       PHE   4   0.944  -0.335  -3.732
   36    HE1  PHE   4          1HE       PHE   4   5.006  -3.067  -4.128
   37    HE2  PHE   4          2HE       PHE   4   0.848  -2.711  -3.215
   38    HZ   PHE   4           HZ       PHE   4   2.887  -4.107  -3.418
   39    H    ARG   5           HN       ARG   5   1.183   3.507  -3.619
   40    HA   ARG   5           HA       ARG   5   0.075   3.028  -0.978
   41    HB2  ARG   5          2HB       ARG   5   0.232   5.301  -2.099
   42    HB3  ARG   5          1HB       ARG   5  -1.028   4.747  -3.188
   43    HG2  ARG   5          2HG       ARG   5  -2.548   4.475  -1.303
   44    HG3  ARG   5          1HG       ARG   5  -1.290   5.068  -0.213
   45    HD2  ARG   5          2HD       ARG   5  -1.195   7.167  -1.520
   46    HD3  ARG   5          1HD       ARG   5  -2.523   6.578  -2.515
   47    HE   ARG   5           HE       ARG   5  -2.774   6.994   0.383
   48   HH11  ARG   5          1HH1      ARG   5  -4.042   7.472  -2.911
   49   HH12  ARG   5          2HH1      ARG   5  -5.398   8.336  -2.389
   50   HH21  ARG   5          1HH2      ARG   5  -4.693   8.183   1.060
   51   HH22  ARG   5          2HH2      ARG   5  -5.798   8.720  -0.097
   52    H    VAL   6           HN       VAL   6  -1.400   1.516  -0.624
   53    HA   VAL   6           HA       VAL   6  -3.042   0.550  -2.865
   54    HB   VAL   6           HB       VAL   6  -2.085  -1.020  -0.424
   55   HG11  VAL   6          1HG1      VAL   6  -3.195  -2.956  -1.430
   56   HG12  VAL   6          2HG1      VAL   6  -3.828  -1.932  -2.717
   57   HG13  VAL   6          3HG1      VAL   6  -4.359  -1.686  -1.054
   58   HG21  VAL   6          1HG2      VAL   6  -1.452  -1.337  -3.338
   59   HG22  VAL   6          2HG2      VAL   6  -0.940  -2.413  -2.038
   60   HG23  VAL   6          3HG2      VAL   6  -0.367  -0.745  -2.078
   61    H    CYS   7           HN       CYS   7  -5.185   0.691  -2.580
   62    HA   CYS   7           HA       CYS   7  -6.126   1.552   0.052
   63    HB2  CYS   7          2HB       CYS   7  -7.368   1.960  -2.676
   64    HB3  CYS   7          1HB       CYS   7  -8.052   2.498  -1.146
   65    H    TYR   8           HN       TYR   8  -7.365   0.308   1.135
   66    HA   TYR   8           HA       TYR   8  -8.697  -1.942  -0.195
   67    HB2  TYR   8          2HB       TYR   8  -6.783  -2.675   1.197
   68    HB3  TYR   8          1HB       TYR   8  -7.472  -1.799   2.562
   69    HD1  TYR   8          1HD       TYR   8  -7.902  -4.740   0.356
   70    HD2  TYR   8          2HD       TYR   8  -9.222  -2.761   3.887
   71    HE1  TYR   8          1HE       TYR   8  -9.149  -6.747   1.016
   72    HE2  TYR   8          2HE       TYR   8 -10.467  -4.758   4.548
   73    HH   TYR   8           HH       TYR   8 -10.035  -7.768   3.064
   74    H    ARG   9           HN       ARG   9 -10.710  -1.055  -0.366
   75    HA   ARG   9           HA       ARG   9 -12.818  -0.471   0.211
   76    HB2  ARG   9          2HB       ARG   9 -12.015  -1.464   2.951
   77    HB3  ARG   9          1HB       ARG   9 -13.660  -1.171   2.417
   78    HG2  ARG   9          2HG       ARG   9 -11.784  -3.244   1.276
   79    HG3  ARG   9          1HG       ARG   9 -13.086  -3.556   2.418
   80    HD2  ARG   9          2HD       ARG   9 -13.394  -2.488  -0.392
   81    HD3  ARG   9          1HD       ARG   9 -13.747  -4.127   0.147
   82    HE   ARG   9           HE       ARG   9 -15.169  -1.981   1.487
   83   HH11  ARG   9          1HH1      ARG   9 -15.303  -4.491  -1.009
   84   HH12  ARG   9          2HH1      ARG   9 -17.006  -4.486  -1.102
   85   HH21  ARG   9          1HH2      ARG   9 -17.471  -1.985   1.354
   86   HH22  ARG   9          2HH2      ARG   9 -18.278  -3.022   0.275
   87    H    GLY  10           HN       GLY  10 -10.547   1.452   0.666
   88    HA2  GLY  10          2HA       GLY  10 -11.188   3.811   1.056
   89    HA3  GLY  10          1HA       GLY  10 -11.933   3.255   2.548
   90    H    ILE  11           HN       ILE  11  -9.688   1.387   3.081
   91    HA   ILE  11           HA       ILE  11  -8.011   3.314   4.413
   92    HB   ILE  11           HB       ILE  11  -7.796   0.275   4.385
   93   HG12  ILE  11          2HG1      ILE  11  -8.564   0.486   6.808
   94   HG13  ILE  11          1HG1      ILE  11  -9.032   2.137   6.428
   95   HG21  ILE  11          1HG2      ILE  11  -6.361   2.251   6.149
   96   HG22  ILE  11          2HG2      ILE  11  -5.655   1.284   4.855
   97   HG23  ILE  11          3HG2      ILE  11  -6.290   0.492   6.297
   98   HD11  ILE  11          1HD1      ILE  11 -10.109  -0.357   5.141
   99   HD12  ILE  11          2HD1      ILE  11 -10.618   1.294   4.781
  100   HD13  ILE  11          3HD1      ILE  11 -10.913   0.606   6.383
  101    H    CYS  12           HN       CYS  12  -6.610   4.315   3.121
  102    HA   CYS  12           HA       CYS  12  -5.138   2.696   1.195
  103    HB2  CYS  12          2HB       CYS  12  -5.210   5.703   1.490
  104    HB3  CYS  12          1HB       CYS  12  -4.387   4.783   0.233
  105    H    TYR  13           HN       TYR  13  -3.392   1.885   1.871
  106    HA   TYR  13           HA       TYR  13  -1.747   3.353   3.801
  107    HB2  TYR  13          2HB       TYR  13  -0.973   1.103   4.614
  108    HB3  TYR  13          1HB       TYR  13  -2.664   1.437   4.951
  109    HD1  TYR  13          1HD       TYR  13  -0.321  -0.747   3.178
  110    HD2  TYR  13          2HD       TYR  13  -4.430   0.261   3.667
  111    HE1  TYR  13          1HE       TYR  13  -0.966  -2.862   2.139
  112    HE2  TYR  13          2HE       TYR  13  -5.083  -1.832   2.640
  113    HH   TYR  13           HH       TYR  13  -2.984  -4.378   2.227
  114    H    ARG  14           HN       ARG  14   0.581   2.790   3.588
  115    HA   ARG  14           HA       ARG  14   1.088   2.442   0.746
  116    HB2  ARG  14          2HB       ARG  14   1.827   4.580   1.947
  117    HB3  ARG  14          1HB       ARG  14   3.041   3.579   2.735
  118    HG2  ARG  14          2HG       ARG  14   3.971   2.973   0.595
  119    HG3  ARG  14          1HG       ARG  14   2.733   3.911  -0.231
  120    HD2  ARG  14          2HD       ARG  14   3.573   5.946   0.908
  121    HD3  ARG  14          1HD       ARG  14   4.876   4.976   1.599
  122    HE   ARG  14           HE       ARG  14   4.565   4.933  -1.279
  123   HH11  ARG  14          1HH1      ARG  14   6.318   6.321   1.452
  124   HH12  ARG  14          2HH1      ARG  14   7.666   6.792   0.535
  125   HH21  ARG  14          1HH2      ARG  14   6.430   5.577  -2.551
  126   HH22  ARG  14          2HH2      ARG  14   7.729   6.353  -1.802
  127    H    LYS  15           HN       LYS  15   1.756   0.596   0.159
  128    HA   LYS  15           HA       LYS  15   2.814  -1.283   2.119
  129    HB2  LYS  15          2HB       LYS  15   0.813  -1.903   0.805
  130    HB3  LYS  15          1HB       LYS  15   1.723  -1.675  -0.676
  131    HG2  LYS  15          2HG       LYS  15   3.169  -3.527  -0.105
  132    HG3  LYS  15          1HG       LYS  15   2.338  -3.709   1.441
  133    HD2  LYS  15          2HD       LYS  15   0.252  -4.215   0.266
  134    HD3  LYS  15          1HD       LYS  15   1.075  -4.017  -1.281
  135    HE2  LYS  15          2HE       LYS  15   0.858  -6.376  -0.700
  136    HE3  LYS  15          1HE       LYS  15   2.549  -5.885  -0.741
  137    HZ1  LYS  15          1HZ       LYS  15   2.519  -5.751   1.684
  138    HZ2  LYS  15          2HZ       LYS  15   2.049  -7.284   1.165
  139    HZ3  LYS  15          3HZ       LYS  15   0.899  -6.189   1.710
  140    H    CYS  16           HN       CYS  16   4.830  -2.215   1.814
  141    HA   CYS  16           HA       CYS  16   6.438  -0.974  -0.298
  142    HB2  CYS  16          2HB       CYS  16   7.267  -1.871   2.462
  143    HB3  CYS  16          1HB       CYS  16   8.365  -1.247   1.233
  144    H    ARG  17           HN       ARG  17   8.021  -2.219  -1.302
  145    HA   ARG  17           HA       ARG  17   7.276  -5.027  -1.495
  146    HB2  ARG  17          2HB       ARG  17   7.772  -3.332  -3.451
  147    HB3  ARG  17          1HB       ARG  17   9.452  -3.672  -3.086
  148    HG2  ARG  17          2HG       ARG  17   7.389  -5.708  -3.947
  149    HG3  ARG  17          1HG       ARG  17   8.615  -4.992  -4.978
  150    HD2  ARG  17          2HD       ARG  17  10.362  -6.043  -3.610
  151    HD3  ARG  17          1HD       ARG  17   9.127  -6.746  -2.568
  152    HE   ARG  17           HE       ARG  17   9.072  -7.323  -5.422
  153   HH11  ARG  17          1HH1      ARG  17   9.569  -8.557  -2.124
  154   HH12  ARG  17          2HH1      ARG  17   9.592 -10.181  -2.608
  155   HH21  ARG  17          1HH2      ARG  17   9.063  -9.528  -6.039
  156   HH22  ARG  17          2HH2      ARG  17   9.274 -10.768  -4.894
  157    HN1  NH2  18          1H        ARG  17   8.101  -5.829   0.417
  158    HN2  NH2  18          2H        ARG  17   9.780  -5.894   0.808
  Start of MODEL   15
    1    H1   ARG   1          1HT       ARG   1  14.766   0.514  -1.161
    2    H2   ARG   1          2HT       ARG   1  13.374   1.299  -0.562
    3    H3   ARG   1          3HT       ARG   1  14.146   1.877  -1.930
    4    HA   ARG   1           HA       ARG   1  13.555   0.034  -3.203
    5    HB2  ARG   1          2HB       ARG   1  12.051  -0.875  -0.725
    6    HB3  ARG   1          1HB       ARG   1  11.918  -1.600  -2.309
    7    HG2  ARG   1          2HG       ARG   1  14.453  -1.524  -0.695
    8    HG3  ARG   1          1HG       ARG   1  13.320  -2.872  -0.710
    9    HD2  ARG   1          2HD       ARG   1  13.691  -3.115  -3.137
   10    HD3  ARG   1          1HD       ARG   1  14.843  -1.786  -3.077
   11    HE   ARG   1           HE       ARG   1  15.578  -3.701  -1.194
   12   HH11  ARG   1          1HH1      ARG   1  15.526  -3.310  -4.728
   13   HH12  ARG   1          2HH1      ARG   1  16.797  -4.411  -4.984
   14   HH21  ARG   1          1HH2      ARG   1  17.286  -5.202  -1.584
   15   HH22  ARG   1          2HH2      ARG   1  17.824  -5.500  -3.182
   16    H    TRP   2           HN       TRP   2  11.346  -0.125  -4.138
   17    HA   TRP   2           HA       TRP   2  10.046   2.409  -3.850
   18    HB2  TRP   2          2HB       TRP   2   9.362   0.060  -5.625
   19    HB3  TRP   2          1HB       TRP   2   8.606   1.652  -5.702
   20    HD1  TRP   2          1HD       TRP   2  10.433   3.729  -6.217
   21    HE1  TRP   2          1HE       TRP   2  12.380   3.737  -7.878
   22    HE3  TRP   2          3HE       TRP   2  10.961  -1.313  -6.823
   23    HZ2  TRP   2          2HZ       TRP   2  13.941   1.829  -9.284
   24    HZ3  TRP   2          3HZ       TRP   2  12.700  -2.136  -8.353
   25    HH2  TRP   2          2HH       TRP   2  14.153  -0.595  -9.556
   26    H    CYS   3           HN       CYS   3   8.098   2.841  -3.024
   27    HA   CYS   3           HA       CYS   3   6.696   0.649  -1.661
   28    HB2  CYS   3          2HB       CYS   3   6.942   3.513  -0.686
   29    HB3  CYS   3          1HB       CYS   3   6.231   2.161   0.183
   30    H    PHE   4           HN       PHE   4   4.392   0.826  -1.697
   31    HA   PHE   4           HA       PHE   4   3.369   2.822  -3.569
   32    HB2  PHE   4          2HB       PHE   4   2.014   0.958  -4.627
   33    HB3  PHE   4          1HB       PHE   4   3.753   0.893  -4.905
   34    HD1  PHE   4          1HD       PHE   4   5.092  -0.908  -4.080
   35    HD2  PHE   4          2HD       PHE   4   0.962  -0.669  -3.112
   36    HE1  PHE   4          1HE       PHE   4   5.165  -3.209  -3.233
   37    HE2  PHE   4          2HE       PHE   4   1.019  -2.961  -2.254
   38    HZ   PHE   4           HZ       PHE   4   3.132  -4.245  -2.313
   39    H    ARG   5           HN       ARG   5   0.972   2.997  -3.455
   40    HA   ARG   5           HA       ARG   5   0.090   2.432  -0.711
   41    HB2  ARG   5          2HB       ARG   5   0.425   4.869  -1.445
   42    HB3  ARG   5          1HB       ARG   5  -0.972   4.627  -2.483
   43    HG2  ARG   5          2HG       ARG   5  -2.349   4.122  -0.541
   44    HG3  ARG   5          1HG       ARG   5  -0.949   4.324   0.512
   45    HD2  ARG   5          2HD       ARG   5  -0.759   6.676  -0.377
   46    HD3  ARG   5          1HD       ARG   5  -2.315   6.432  -1.160
   47    HE   ARG   5           HE       ARG   5  -2.064   5.974   1.698
   48   HH11  ARG   5          1HH1      ARG   5  -3.423   7.978  -0.896
   49   HH12  ARG   5          2HH1      ARG   5  -4.449   8.851   0.142
   50   HH21  ARG   5          1HH2      ARG   5  -3.498   7.213   3.119
   51   HH22  ARG   5          2HH2      ARG   5  -4.504   8.402   2.457
   52    H    VAL   6           HN       VAL   6  -1.557   1.103  -0.520
   53    HA   VAL   6           HA       VAL   6  -3.166   0.495  -2.904
   54    HB   VAL   6           HB       VAL   6  -2.591  -1.281  -0.497
   55   HG11  VAL   6          1HG1      VAL   6  -3.692  -3.057  -1.767
   56   HG12  VAL   6          2HG1      VAL   6  -4.083  -1.902  -3.040
   57   HG13  VAL   6          3HG1      VAL   6  -4.799  -1.720  -1.437
   58   HG21  VAL   6          1HG2      VAL   6  -0.640  -1.067  -1.879
   59   HG22  VAL   6          2HG2      VAL   6  -1.576  -1.453  -3.323
   60   HG23  VAL   6          3HG2      VAL   6  -1.332  -2.678  -2.075
   61    H    CYS   7           HN       CYS   7  -5.337   0.788  -2.736
   62    HA   CYS   7           HA       CYS   7  -6.339   1.556  -0.103
   63    HB2  CYS   7          2HB       CYS   7  -7.148   2.587  -2.825
   64    HB3  CYS   7          1HB       CYS   7  -8.013   2.934  -1.331
   65    H    TYR   8           HN       TYR   8  -7.890   0.446   0.697
   66    HA   TYR   8           HA       TYR   8  -9.566  -1.215  -1.033
   67    HB2  TYR   8          2HB       TYR   8  -7.860  -2.668  -0.027
   68    HB3  TYR   8          1HB       TYR   8  -8.249  -1.998   1.560
   69    HD1  TYR   8          1HD       TYR   8  -9.762  -3.955  -1.251
   70    HD2  TYR   8          2HD       TYR   8  -9.857  -3.054   2.910
   71    HE1  TYR   8          1HE       TYR   8 -11.435  -5.715  -0.911
   72    HE2  TYR   8          2HE       TYR   8 -11.527  -4.805   3.263
   73    HH   TYR   8           HH       TYR   8 -13.215  -6.034   2.004
   74    H    ARG   9           HN       ARG   9 -11.355  -0.008  -0.833
   75    HA   ARG   9           HA       ARG   9 -13.359   0.694   0.018
   76    HB2  ARG   9          2HB       ARG   9 -12.588  -0.996   2.403
   77    HB3  ARG   9          1HB       ARG   9 -14.189  -0.346   2.109
   78    HG2  ARG   9          2HG       ARG   9 -12.736  -2.387   0.433
   79    HG3  ARG   9          1HG       ARG   9 -14.115  -2.677   1.495
   80    HD2  ARG   9          2HD       ARG   9 -15.483  -1.200   0.106
   81    HD3  ARG   9          1HD       ARG   9 -14.102  -0.929  -0.953
   82    HE   ARG   9           HE       ARG   9 -14.789  -3.682  -0.635
   83   HH11  ARG   9          1HH1      ARG   9 -15.327  -0.755  -2.560
   84   HH12  ARG   9          2HH1      ARG   9 -16.064  -1.589  -3.856
   85   HH21  ARG   9          1HH2      ARG   9 -15.782  -4.795  -2.435
   86   HH22  ARG   9          2HH2      ARG   9 -16.326  -3.908  -3.785
   87    H    GLY  10           HN       GLY  10 -10.830   2.138   0.661
   88    HA2  GLY  10          2HA       GLY  10 -10.960   4.401   1.562
   89    HA3  GLY  10          1HA       GLY  10 -11.911   3.743   2.890
   90    H    ILE  11           HN       ILE  11  -9.981   1.349   2.854
   91    HA   ILE  11           HA       ILE  11  -8.092   2.494   4.688
   92    HB   ILE  11           HB       ILE  11  -8.397  -0.382   3.710
   93   HG12  ILE  11          2HG1      ILE  11  -9.101  -0.825   6.113
   94   HG13  ILE  11          1HG1      ILE  11  -9.269   0.915   6.306
   95   HG21  ILE  11          1HG2      ILE  11  -6.596   0.679   5.864
   96   HG22  ILE  11          2HG2      ILE  11  -6.117  -0.007   4.317
   97   HG23  ILE  11          3HG2      ILE  11  -6.885  -1.030   5.534
   98   HD11  ILE  11          1HD1      ILE  11 -10.771  -0.827   4.379
   99   HD12  ILE  11          2HD1      ILE  11 -10.987   0.912   4.575
  100   HD13  ILE  11          3HD1      ILE  11 -11.404  -0.185   5.899
  101    H    CYS  12           HN       CYS  12  -6.643   3.674   3.590
  102    HA   CYS  12           HA       CYS  12  -5.302   2.365   1.369
  103    HB2  CYS  12          2HB       CYS  12  -5.239   5.261   2.247
  104    HB3  CYS  12          1HB       CYS  12  -4.307   4.582   0.915
  105    H    TYR  13           HN       TYR  13  -3.459   1.454   1.768
  106    HA   TYR  13           HA       TYR  13  -1.912   2.438   4.036
  107    HB2  TYR  13          2HB       TYR  13  -1.241   0.101   4.533
  108    HB3  TYR  13          1HB       TYR  13  -2.962   0.369   4.747
  109    HD1  TYR  13          1HD       TYR  13  -4.579  -0.649   3.128
  110    HD2  TYR  13          2HD       TYR  13  -0.407  -1.445   2.907
  111    HE1  TYR  13          1HE       TYR  13  -5.042  -2.610   1.742
  112    HE2  TYR  13          2HE       TYR  13  -0.850  -3.405   1.511
  113    HH   TYR  13           HH       TYR  13  -3.856  -4.092   0.082
  114    H    ARG  14           HN       ARG  14   0.240   2.595   3.728
  115    HA   ARG  14           HA       ARG  14   1.133   2.225   1.000
  116    HB2  ARG  14          2HB       ARG  14   1.705   4.343   2.173
  117    HB3  ARG  14          1HB       ARG  14   2.591   3.404   3.369
  118    HG2  ARG  14          2HG       ARG  14   4.110   2.610   1.610
  119    HG3  ARG  14          1HG       ARG  14   3.247   3.596   0.435
  120    HD2  ARG  14          2HD       ARG  14   5.271   4.702   1.153
  121    HD3  ARG  14          1HD       ARG  14   3.865   5.614   1.698
  122    HE   ARG  14           HE       ARG  14   4.427   4.062   3.816
  123   HH11  ARG  14          1HH1      ARG  14   6.491   6.168   1.862
  124   HH12  ARG  14          2HH1      ARG  14   7.524   6.601   3.136
  125   HH21  ARG  14          1HH2      ARG  14   5.820   4.669   5.594
  126   HH22  ARG  14          2HH2      ARG  14   7.110   5.751   5.330
  127    H    LYS  15           HN       LYS  15   1.855   0.355   0.495
  128    HA   LYS  15           HA       LYS  15   3.139  -1.275   2.546
  129    HB2  LYS  15          2HB       LYS  15   1.105  -2.200   1.361
  130    HB3  LYS  15          1HB       LYS  15   2.030  -2.146  -0.130
  131    HG2  LYS  15          2HG       LYS  15   3.662  -3.702   0.824
  132    HG3  LYS  15          1HG       LYS  15   2.714  -3.751   2.314
  133    HD2  LYS  15          2HD       LYS  15   0.797  -4.602   1.021
  134    HD3  LYS  15          1HD       LYS  15   1.813  -4.641  -0.417
  135    HE2  LYS  15          2HE       LYS  15   3.323  -6.218   0.706
  136    HE3  LYS  15          1HE       LYS  15   2.289  -6.178   2.135
  137    HZ1  LYS  15          1HZ       LYS  15   1.540  -7.156  -0.555
  138    HZ2  LYS  15          2HZ       LYS  15   0.473  -6.993   0.715
  139    HZ3  LYS  15          3HZ       LYS  15   1.735  -8.105   0.828
  140    H    CYS  16           HN       CYS  16   5.170  -2.113   2.042
  141    HA   CYS  16           HA       CYS  16   6.340  -1.109  -0.413
  142    HB2  CYS  16          2HB       CYS  16   6.769   0.451   1.560
  143    HB3  CYS  16          1HB       CYS  16   7.685  -0.863   2.283
  144    H    ARG  17           HN       ARG  17   8.563  -2.194  -0.639
  145    HA   ARG  17           HA       ARG  17   8.209  -4.953   0.241
  146    HB2  ARG  17          2HB       ARG  17   9.874  -3.908  -2.060
  147    HB3  ARG  17          1HB       ARG  17   9.696  -5.598  -1.618
  148    HG2  ARG  17          2HG       ARG  17   7.606  -3.758  -2.767
  149    HG3  ARG  17          1HG       ARG  17   8.290  -5.214  -3.491
  150    HD2  ARG  17          2HD       ARG  17   6.467  -5.052  -1.086
  151    HD3  ARG  17          1HD       ARG  17   6.068  -5.692  -2.673
  152    HE   ARG  17           HE       ARG  17   7.741  -7.457  -2.215
  153   HH11  ARG  17          1HH1      ARG  17   6.306  -5.744   0.580
  154   HH12  ARG  17          2HH1      ARG  17   6.415  -7.096   1.596
  155   HH21  ARG  17          1HH2      ARG  17   7.885  -9.271  -0.748
  156   HH22  ARG  17          2HH2      ARG  17   7.322  -9.119   0.859
  157    HN1  NH2  18          1H        ARG  17   9.118  -4.949   2.163
  158    HN2  NH2  18          2H        ARG  17  10.752  -4.506   2.495
  Start of MODEL   16
    1    H1   ARG   1          1HT       ARG   1  11.878  -1.269  -3.594
    2    H2   ARG   1          2HT       ARG   1  13.381  -1.540  -4.251
    3    H3   ARG   1          3HT       ARG   1  12.339  -0.454  -4.999
    4    HA   ARG   1           HA       ARG   1  13.594  -0.191  -2.327
    5    HB2  ARG   1          2HB       ARG   1  15.134   0.236  -4.232
    6    HB3  ARG   1          1HB       ARG   1  13.999   1.416  -4.853
    7    HG2  ARG   1          2HG       ARG   1  15.871   2.492  -3.762
    8    HG3  ARG   1          1HG       ARG   1  14.358   2.834  -2.923
    9    HD2  ARG   1          2HD       ARG   1  16.172   2.381  -1.354
   10    HD3  ARG   1          1HD       ARG   1  14.914   1.151  -1.248
   11    HE   ARG   1           HE       ARG   1  16.699   0.134  -3.024
   12   HH11  ARG   1          1HH1      ARG   1  16.979   1.284   0.304
   13   HH12  ARG   1          2HH1      ARG   1  18.261   0.250   0.697
   14   HH21  ARG   1          1HH2      ARG   1  18.361  -1.282  -2.510
   15   HH22  ARG   1          2HH2      ARG   1  19.086  -1.272  -0.949
   16    H    TRP   2           HN       TRP   2  10.884   0.754  -4.332
   17    HA   TRP   2           HA       TRP   2  10.501   3.091  -2.619
   18    HB2  TRP   2          2HB       TRP   2   8.810   3.815  -4.232
   19    HB3  TRP   2          1HB       TRP   2  10.346   3.521  -5.033
   20    HD1  TRP   2          1HD       TRP   2   6.959   1.733  -4.507
   21    HE1  TRP   2          1HE       TRP   2   6.452   0.336  -6.639
   22    HE3  TRP   2          3HE       TRP   2  11.249   2.625  -7.105
   23    HZ2  TRP   2          2HZ       TRP   2   7.712  -0.279  -9.055
   24    HZ3  TRP   2          3HZ       TRP   2  11.519   1.601  -9.325
   25    HH2  TRP   2          2HH       TRP   2   9.776   0.179 -10.272
   26    H    CYS   3           HN       CYS   3   8.171   3.491  -2.043
   27    HA   CYS   3           HA       CYS   3   6.910   0.955  -1.332
   28    HB2  CYS   3          2HB       CYS   3   6.825   3.608   0.125
   29    HB3  CYS   3          1HB       CYS   3   5.861   2.202   0.558
   30    H    PHE   4           HN       PHE   4   4.488   1.114  -1.252
   31    HA   PHE   4           HA       PHE   4   3.466   3.103  -3.105
   32    HB2  PHE   4          2HB       PHE   4   2.224   1.248  -4.268
   33    HB3  PHE   4          1HB       PHE   4   3.967   1.256  -4.522
   34    HD1  PHE   4          1HD       PHE   4   5.308  -0.592  -3.899
   35    HD2  PHE   4          2HD       PHE   4   1.235  -0.431  -2.699
   36    HE1  PHE   4          1HE       PHE   4   5.439  -2.927  -3.158
   37    HE2  PHE   4          2HE       PHE   4   1.348  -2.749  -1.950
   38    HZ   PHE   4           HZ       PHE   4   3.464  -4.019  -2.180
   39    H    ARG   5           HN       ARG   5   1.069   3.166  -3.033
   40    HA   ARG   5           HA       ARG   5   0.229   2.391  -0.345
   41    HB2  ARG   5          2HB       ARG   5   0.331   4.880  -1.055
   42    HB3  ARG   5          1HB       ARG   5  -1.095   4.517  -2.015
   43    HG2  ARG   5          2HG       ARG   5  -2.317   3.885  -0.030
   44    HG3  ARG   5          1HG       ARG   5  -0.880   4.119   0.962
   45    HD2  ARG   5          2HD       ARG   5  -0.856   6.505   0.208
   46    HD3  ARG   5          1HD       ARG   5  -2.418   6.211  -0.555
   47    HE   ARG   5           HE       ARG   5  -2.161   5.620   2.288
   48   HH11  ARG   5          1HH1      ARG   5  -3.419   7.838  -0.172
   49   HH12  ARG   5          2HH1      ARG   5  -4.487   8.623   0.900
   50   HH21  ARG   5          1HH2      ARG   5  -3.624   6.712   3.734
   51   HH22  ARG   5          2HH2      ARG   5  -4.590   7.977   3.159
   52    H    VAL   6           HN       VAL   6  -1.358   1.022  -0.128
   53    HA   VAL   6           HA       VAL   6  -2.756   0.077  -2.530
   54    HB   VAL   6           HB       VAL   6  -2.219  -1.313   0.134
   55   HG11  VAL   6          1HG1      VAL   6  -4.394  -1.989  -0.804
   56   HG12  VAL   6          2HG1      VAL   6  -3.220  -3.302  -0.842
   57   HG13  VAL   6          3HG1      VAL   6  -3.591  -2.413  -2.318
   58   HG21  VAL   6          1HG2      VAL   6  -1.158  -1.866  -2.620
   59   HG22  VAL   6          2HG2      VAL   6  -0.857  -2.840  -1.181
   60   HG23  VAL   6          3HG2      VAL   6  -0.262  -1.182  -1.265
   61    H    CYS   7           HN       CYS   7  -4.947   0.312  -2.586
   62    HA   CYS   7           HA       CYS   7  -6.170   1.403  -0.173
   63    HB2  CYS   7          2HB       CYS   7  -6.872   1.857  -3.075
   64    HB3  CYS   7          1HB       CYS   7  -7.884   2.367  -1.726
   65    H    TYR   8           HN       TYR   8  -7.668   0.351   0.755
   66    HA   TYR   8           HA       TYR   8  -9.068  -1.774  -0.676
   67    HB2  TYR   8          2HB       TYR   8  -7.395  -2.819   0.739
   68    HB3  TYR   8          1HB       TYR   8  -7.912  -1.813   2.095
   69    HD1  TYR   8          1HD       TYR   8  -9.005  -2.949   3.711
   70    HD2  TYR   8          2HD       TYR   8  -9.661  -4.066  -0.333
   71    HE1  TYR   8          1HE       TYR   8 -10.600  -4.643   4.441
   72    HE2  TYR   8          2HE       TYR   8 -11.233  -5.769   0.378
   73    HH   TYR   8           HH       TYR   8 -11.737  -7.068   2.386
   74    H    ARG   9           HN       ARG   9 -10.928  -0.696  -0.929
   75    HA   ARG   9           HA       ARG   9 -12.922   0.249  -0.502
   76    HB2  ARG   9          2HB       ARG   9 -12.631  -1.400   2.005
   77    HB3  ARG   9          1HB       ARG   9 -14.123  -0.610   1.514
   78    HG2  ARG   9          2HG       ARG   9 -13.983  -1.951  -0.636
   79    HG3  ARG   9          1HG       ARG   9 -12.657  -2.819   0.112
   80    HD2  ARG   9          2HD       ARG   9 -15.363  -2.587   1.396
   81    HD3  ARG   9          1HD       ARG   9 -14.912  -3.919   0.343
   82    HE   ARG   9           HE       ARG   9 -13.150  -4.437   1.938
   83   HH11  ARG   9          1HH1      ARG   9 -15.802  -2.408   3.165
   84   HH12  ARG   9          2HH1      ARG   9 -15.640  -2.953   4.755
   85   HH21  ARG   9          1HH2      ARG   9 -12.985  -5.189   4.111
   86   HH22  ARG   9          2HH2      ARG   9 -14.022  -4.559   5.312
   87    H    GLY  10           HN       GLY  10 -10.817   1.935   0.091
   88    HA2  GLY  10          2HA       GLY  10 -11.162   4.214   0.799
   89    HA3  GLY  10          1HA       GLY  10 -12.123   3.603   2.138
   90    H    ILE  11           HN       ILE  11 -10.007   1.469   2.551
   91    HA   ILE  11           HA       ILE  11  -8.329   3.077   4.267
   92    HB   ILE  11           HB       ILE  11  -8.447   0.055   3.906
   93   HG12  ILE  11          2HG1      ILE  11  -9.383   0.114   6.281
   94   HG13  ILE  11          1HG1      ILE  11  -9.664   1.831   6.029
   95   HG21  ILE  11          1HG2      ILE  11  -6.250   0.721   4.651
   96   HG22  ILE  11          2HG2      ILE  11  -7.104  -0.135   5.930
   97   HG23  ILE  11          3HG2      ILE  11  -6.950   1.620   6.000
   98   HD11  ILE  11          1HD1      ILE  11 -11.178   1.297   4.204
   99   HD12  ILE  11          2HD1      ILE  11 -11.665   0.468   5.689
  100   HD13  ILE  11          3HD1      ILE  11 -10.821  -0.413   4.409
  101    H    CYS  12           HN       CYS  12  -6.762   4.046   3.133
  102    HA   CYS  12           HA       CYS  12  -5.249   2.413   1.248
  103    HB2  CYS  12          2HB       CYS  12  -5.339   5.422   1.539
  104    HB3  CYS  12          1HB       CYS  12  -4.385   4.522   0.370
  105    H    TYR  13           HN       TYR  13  -3.485   1.602   1.975
  106    HA   TYR  13           HA       TYR  13  -2.037   3.023   4.086
  107    HB2  TYR  13          2HB       TYR  13  -1.399   0.804   5.012
  108    HB3  TYR  13          1HB       TYR  13  -3.126   1.114   5.088
  109    HD1  TYR  13          1HD       TYR  13  -0.505  -0.971   3.657
  110    HD2  TYR  13          2HD       TYR  13  -4.678  -0.153   3.641
  111    HE1  TYR  13          1HE       TYR  13  -0.923  -3.118   2.557
  112    HE2  TYR  13          2HE       TYR  13  -5.107  -2.289   2.543
  113    HH   TYR  13           HH       TYR  13  -2.749  -4.719   2.298
  114    H    ARG  14           HN       ARG  14   0.187   2.934   4.000
  115    HA   ARG  14           HA       ARG  14   1.230   2.382   1.359
  116    HB2  ARG  14          2HB       ARG  14   1.821   4.527   2.337
  117    HB3  ARG  14          1HB       ARG  14   2.509   3.726   3.743
  118    HG2  ARG  14          2HG       ARG  14   4.244   2.738   2.358
  119    HG3  ARG  14          1HG       ARG  14   3.529   3.466   0.920
  120    HD2  ARG  14          2HD       ARG  14   4.588   4.994   3.288
  121    HD3  ARG  14          1HD       ARG  14   5.477   4.721   1.791
  122    HE   ARG  14           HE       ARG  14   3.094   5.826   1.041
  123   HH11  ARG  14          1HH1      ARG  14   5.810   6.813   3.080
  124   HH12  ARG  14          2HH1      ARG  14   5.606   8.469   2.794
  125   HH21  ARG  14          1HH2      ARG  14   2.811   8.129   0.635
  126   HH22  ARG  14          2HH2      ARG  14   3.886   9.233   1.365
  127    H    LYS  15           HN       LYS  15   2.264   0.684   0.873
  128    HA   LYS  15           HA       LYS  15   3.264  -1.058   3.000
  129    HB2  LYS  15          2HB       LYS  15   1.119  -1.804   1.926
  130    HB3  LYS  15          1HB       LYS  15   1.963  -1.855   0.392
  131    HG2  LYS  15          2HG       LYS  15   3.451  -3.586   1.281
  132    HG3  LYS  15          1HG       LYS  15   2.574  -3.531   2.813
  133    HD2  LYS  15          2HD       LYS  15   0.502  -4.133   1.606
  134    HD3  LYS  15          1HD       LYS  15   1.441  -4.275   0.123
  135    HE2  LYS  15          2HE       LYS  15   2.795  -6.027   1.175
  136    HE3  LYS  15          1HE       LYS  15   1.820  -5.882   2.635
  137    HZ1  LYS  15          1HZ       LYS  15   0.828  -6.711  -0.034
  138    HZ2  LYS  15          2HZ       LYS  15  -0.111  -6.531   1.353
  139    HZ3  LYS  15          3HZ       LYS  15   1.075  -7.719   1.295
  140    H    CYS  16           HN       CYS  16   5.201  -2.084   2.469
  141    HA   CYS  16           HA       CYS  16   6.484  -1.170  -0.001
  142    HB2  CYS  16          2HB       CYS  16   7.890  -1.681   2.632
  143    HB3  CYS  16          1HB       CYS  16   8.549  -0.938   1.178
  144    H    ARG  17           HN       ARG  17   7.261  -2.793  -1.222
  145    HA   ARG  17           HA       ARG  17   7.089  -5.490  -0.155
  146    HB2  ARG  17          2HB       ARG  17   5.850  -5.031  -2.240
  147    HB3  ARG  17          1HB       ARG  17   7.331  -4.495  -3.006
  148    HG2  ARG  17          2HG       ARG  17   8.258  -6.724  -2.871
  149    HG3  ARG  17          1HG       ARG  17   6.835  -7.279  -1.995
  150    HD2  ARG  17          2HD       ARG  17   5.441  -6.820  -3.894
  151    HD3  ARG  17          1HD       ARG  17   6.811  -6.170  -4.794
  152    HE   ARG  17           HE       ARG  17   7.285  -8.813  -3.882
  153   HH11  ARG  17          1HH1      ARG  17   5.563  -7.060  -6.428
  154   HH12  ARG  17          2HH1      ARG  17   5.689  -8.327  -7.564
  155   HH21  ARG  17          1HH2      ARG  17   7.409 -10.552  -5.428
  156   HH22  ARG  17          2HH2      ARG  17   6.726 -10.339  -6.977
  157    HN1  NH2  18          1H        ARG  17   8.960  -5.470   1.025
  158    HN2  NH2  18          2H        ARG  17  10.523  -5.442   0.295
  Start of MODEL   17
    1    H1   ARG   1          1HT       ARG   1  12.279  -1.445  -2.337
    2    H2   ARG   1          2HT       ARG   1  13.918  -1.263  -2.024
    3    H3   ARG   1          3HT       ARG   1  13.230  -0.454  -3.312
    4    HA   ARG   1           HA       ARG   1  12.484  -0.017  -0.504
    5    HB2  ARG   1          2HB       ARG   1  14.827   0.692  -0.857
    6    HB3  ARG   1          1HB       ARG   1  14.355   1.601  -2.272
    7    HG2  ARG   1          2HG       ARG   1  14.849   3.016  -0.326
    8    HG3  ARG   1          1HG       ARG   1  13.193   3.204  -0.895
    9    HD2  ARG   1          2HD       ARG   1  12.457   1.642   0.871
   10    HD3  ARG   1          1HD       ARG   1  14.116   1.593   1.481
   11    HE   ARG   1           HE       ARG   1  13.872   4.022   1.813
   12   HH11  ARG   1          1HH1      ARG   1  10.983   1.919   1.892
   13   HH12  ARG   1          2HH1      ARG   1  10.061   3.030   2.767
   14   HH21  ARG   1          1HH2      ARG   1  12.585   5.500   3.034
   15   HH22  ARG   1          2HH2      ARG   1  10.974   5.116   3.430
   16    H    TRP   2           HN       TRP   2  11.107  -0.232  -3.375
   17    HA   TRP   2           HA       TRP   2   9.899   2.362  -3.428
   18    HB2  TRP   2          2HB       TRP   2  10.382   1.197  -5.550
   19    HB3  TRP   2          1HB       TRP   2   9.322  -0.121  -5.069
   20    HD1  TRP   2          1HD       TRP   2   8.985   3.713  -5.564
   21    HE1  TRP   2          1HE       TRP   2   6.688   4.175  -6.640
   22    HE3  TRP   2          3HE       TRP   2   7.229  -1.074  -5.797
   23    HZ2  TRP   2          2HZ       TRP   2   4.445   2.696  -7.491
   24    HZ3  TRP   2          3HZ       TRP   2   5.003  -1.463  -6.763
   25    HH2  TRP   2          2HH       TRP   2   3.646   0.393  -7.588
   26    H    CYS   3           HN       CYS   3   7.924   2.867  -2.698
   27    HA   CYS   3           HA       CYS   3   6.404   0.762  -1.334
   28    HB2  CYS   3          2HB       CYS   3   6.696   3.670  -0.542
   29    HB3  CYS   3          1HB       CYS   3   5.664   2.492   0.256
   30    H    PHE   4           HN       PHE   4   4.311   0.634  -1.699
   31    HA   PHE   4           HA       PHE   4   3.260   2.613  -3.525
   32    HB2  PHE   4          2HB       PHE   4   1.914   0.772  -4.581
   33    HB3  PHE   4          1HB       PHE   4   3.663   0.668  -4.780
   34    HD1  PHE   4          1HD       PHE   4   0.825  -0.751  -2.897
   35    HD2  PHE   4          2HD       PHE   4   4.844  -1.234  -4.160
   36    HE1  PHE   4          1HE       PHE   4   0.773  -3.078  -2.136
   37    HE2  PHE   4          2HE       PHE   4   4.809  -3.573  -3.394
   38    HZ   PHE   4           HZ       PHE   4   2.775  -4.502  -2.384
   39    H    ARG   5           HN       ARG   5   0.903   2.750  -3.506
   40    HA   ARG   5           HA       ARG   5  -0.017   2.558  -0.713
   41    HB2  ARG   5          2HB       ARG   5   0.340   4.850  -1.709
   42    HB3  ARG   5          1HB       ARG   5  -0.933   4.470  -2.856
   43    HG2  ARG   5          2HG       ARG   5  -2.513   4.228  -0.987
   44    HG3  ARG   5          1HG       ARG   5  -1.232   4.695   0.134
   45    HD2  ARG   5          2HD       ARG   5  -0.971   6.813  -1.201
   46    HD3  ARG   5          1HD       ARG   5  -2.414   6.331  -2.093
   47    HE   ARG   5           HE       ARG   5  -2.426   6.745   0.810
   48   HH11  ARG   5          1HH1      ARG   5  -3.843   7.443  -2.373
   49   HH12  ARG   5          2HH1      ARG   5  -5.130   8.358  -1.728
   50   HH21  ARG   5          1HH2      ARG   5  -4.167   8.047   1.644
   51   HH22  ARG   5          2HH2      ARG   5  -5.328   8.700   0.594
   52    H    VAL   6           HN       VAL   6  -1.541   1.079  -0.477
   53    HA   VAL   6           HA       VAL   6  -3.192   0.401  -2.817
   54    HB   VAL   6           HB       VAL   6  -2.732  -1.278  -0.317
   55   HG11  VAL   6          1HG1      VAL   6  -4.924  -1.674  -1.323
   56   HG12  VAL   6          2HG1      VAL   6  -3.867  -3.070  -1.540
   57   HG13  VAL   6          3HG1      VAL   6  -4.162  -1.969  -2.887
   58   HG21  VAL   6          1HG2      VAL   6  -0.731  -1.198  -1.637
   59   HG22  VAL   6          2HG2      VAL   6  -1.636  -1.611  -3.095
   60   HG23  VAL   6          3HG2      VAL   6  -1.481  -2.787  -1.788
   61    H    CYS   7           HN       CYS   7  -5.313   0.810  -2.690
   62    HA   CYS   7           HA       CYS   7  -6.300   1.645  -0.078
   63    HB2  CYS   7          2HB       CYS   7  -7.248   2.412  -2.847
   64    HB3  CYS   7          1HB       CYS   7  -8.041   2.882  -1.347
   65    H    TYR   8           HN       TYR   8  -7.748   0.480   0.817
   66    HA   TYR   8           HA       TYR   8  -9.224  -1.485  -0.770
   67    HB2  TYR   8          2HB       TYR   8  -7.339  -2.553   0.443
   68    HB3  TYR   8          1HB       TYR   8  -7.952  -1.839   1.936
   69    HD1  TYR   8          1HD       TYR   8  -8.800  -4.269  -0.752
   70    HD2  TYR   8          2HD       TYR   8  -9.571  -2.939   3.210
   71    HE1  TYR   8          1HE       TYR   8 -10.196  -6.244  -0.367
   72    HE2  TYR   8          2HE       TYR   8 -10.961  -4.894   3.611
   73    HH   TYR   8           HH       TYR   8 -11.014  -7.583   1.542
   74    H    ARG   9           HN       ARG   9 -11.156  -0.511  -0.714
   75    HA   ARG   9           HA       ARG   9 -13.190   0.180   0.034
   76    HB2  ARG   9          2HB       ARG   9 -12.294  -1.104   2.621
   77    HB3  ARG   9          1HB       ARG   9 -13.927  -0.553   2.305
   78    HG2  ARG   9          2HG       ARG   9 -12.487  -2.751   0.817
   79    HG3  ARG   9          1HG       ARG   9 -13.700  -2.985   2.070
   80    HD2  ARG   9          2HD       ARG   9 -14.849  -3.274   0.033
   81    HD3  ARG   9          1HD       ARG   9 -15.274  -1.660   0.576
   82    HE   ARG   9           HE       ARG   9 -13.050  -1.870  -1.272
   83   HH11  ARG   9          1HH1      ARG   9 -16.470  -1.091  -0.846
   84   HH12  ARG   9          2HH1      ARG   9 -16.647  -0.394  -2.382
   85   HH21  ARG   9          1HH2      ARG   9 -13.270  -0.877  -3.367
   86   HH22  ARG   9          2HH2      ARG   9 -14.767  -0.257  -3.852
   87    H    GLY  10           HN       GLY  10 -10.810   1.883   0.338
   88    HA2  GLY  10          2HA       GLY  10 -11.022   4.226   0.868
   89    HA3  GLY  10          1HA       GLY  10 -11.948   3.767   2.292
   90    H    ILE  11           HN       ILE  11  -9.972   1.525   2.758
   91    HA   ILE  11           HA       ILE  11  -8.190   3.053   4.409
   92    HB   ILE  11           HB       ILE  11  -8.312   0.052   3.905
   93   HG12  ILE  11          2HG1      ILE  11  -9.104   0.024   6.365
   94   HG13  ILE  11          1HG1      ILE  11  -9.443   1.733   6.148
   95   HG21  ILE  11          1HG2      ILE  11  -6.668   1.523   5.952
   96   HG22  ILE  11          2HG2      ILE  11  -6.087   0.618   4.549
   97   HG23  ILE  11          3HG2      ILE  11  -6.875  -0.230   5.872
   98   HD11  ILE  11          1HD1      ILE  11 -11.036   1.182   4.384
   99   HD12  ILE  11          2HD1      ILE  11 -11.438   0.328   5.882
  100   HD13  ILE  11          3HD1      ILE  11 -10.633  -0.522   4.558
  101    H    CYS  12           HN       CYS  12  -6.607   4.085   3.333
  102    HA   CYS  12           HA       CYS  12  -5.201   2.582   1.268
  103    HB2  CYS  12          2HB       CYS  12  -5.107   5.547   1.867
  104    HB3  CYS  12          1HB       CYS  12  -4.249   4.720   0.569
  105    H    TYR  13           HN       TYR  13  -3.453   1.620   1.849
  106    HA   TYR  13           HA       TYR  13  -1.951   2.739   4.093
  107    HB2  TYR  13          2HB       TYR  13  -1.331   0.416   4.723
  108    HB3  TYR  13          1HB       TYR  13  -3.043   0.763   4.895
  109    HD1  TYR  13          1HD       TYR  13  -4.674  -0.323   3.459
  110    HD2  TYR  13          2HD       TYR  13  -0.524  -1.146   3.029
  111    HE1  TYR  13          1HE       TYR  13  -5.222  -2.258   2.125
  112    HE2  TYR  13          2HE       TYR  13  -1.052  -3.107   1.670
  113    HH   TYR  13           HH       TYR  13  -2.849  -4.623   1.284
  114    H    ARG  14           HN       ARG  14   0.247   2.292   4.171
  115    HA   ARG  14           HA       ARG  14   1.531   2.356   1.572
  116    HB2  ARG  14          2HB       ARG  14   2.210   4.007   3.233
  117    HB3  ARG  14          1HB       ARG  14   2.514   2.732   4.395
  118    HG2  ARG  14          2HG       ARG  14   4.327   1.890   2.902
  119    HG3  ARG  14          1HG       ARG  14   4.087   3.319   1.895
  120    HD2  ARG  14          2HD       ARG  14   5.934   3.574   3.528
  121    HD3  ARG  14          1HD       ARG  14   4.654   4.770   3.741
  122    HE   ARG  14           HE       ARG  14   3.800   3.229   5.533
  123   HH11  ARG  14          1HH1      ARG  14   7.272   3.296   4.788
  124   HH12  ARG  14          2HH1      ARG  14   7.752   2.901   6.362
  125   HH21  ARG  14          1HH2      ARG  14   4.439   2.678   7.657
  126   HH22  ARG  14          2HH2      ARG  14   6.097   2.547   8.061
  127    H    LYS  15           HN       LYS  15   2.365   0.540   0.743
  128    HA   LYS  15           HA       LYS  15   3.301  -1.513   2.592
  129    HB2  LYS  15          2HB       LYS  15   1.109  -2.114   1.491
  130    HB3  LYS  15          1HB       LYS  15   1.919  -2.003  -0.061
  131    HG2  LYS  15          2HG       LYS  15   3.331  -3.851   0.473
  132    HG3  LYS  15          1HG       LYS  15   2.716  -3.907   2.129
  133    HD2  LYS  15          2HD       LYS  15   0.464  -4.396   1.241
  134    HD3  LYS  15          1HD       LYS  15   1.135  -4.417  -0.392
  135    HE2  LYS  15          2HE       LYS  15   2.555  -6.288   0.202
  136    HE3  LYS  15          1HE       LYS  15   1.966  -6.236   1.863
  137    HZ1  LYS  15          1HZ       LYS  15  -0.240  -6.774   1.057
  138    HZ2  LYS  15          2HZ       LYS  15   0.867  -7.942   0.549
  139    HZ3  LYS  15          3HZ       LYS  15   0.313  -6.786  -0.537
  140    H    CYS  16           HN       CYS  16   5.372  -2.136   2.137
  141    HA   CYS  16           HA       CYS  16   6.554  -0.775  -0.173
  142    HB2  CYS  16          2HB       CYS  16   7.769  -1.316   2.525
  143    HB3  CYS  16          1HB       CYS  16   8.614  -0.600   1.159
  144    H    ARG  17           HN       ARG  17   8.300  -1.689  -1.213
  145    HA   ARG  17           HA       ARG  17   8.626  -4.575  -0.875
  146    HB2  ARG  17          2HB       ARG  17   9.219  -2.748  -3.205
  147    HB3  ARG  17          1HB       ARG  17   9.630  -4.456  -3.173
  148    HG2  ARG  17          2HG       ARG  17   6.863  -3.288  -3.052
  149    HG3  ARG  17          1HG       ARG  17   7.620  -3.996  -4.478
  150    HD2  ARG  17          2HD       ARG  17   6.982  -5.427  -1.897
  151    HD3  ARG  17          1HD       ARG  17   6.102  -5.575  -3.411
  152    HE   ARG  17           HE       ARG  17   8.897  -6.231  -3.619
  153   HH11  ARG  17          1HH1      ARG  17   5.646  -7.489  -3.072
  154   HH12  ARG  17          2HH1      ARG  17   6.059  -9.107  -3.309
  155   HH21  ARG  17          1HH2      ARG  17   9.487  -8.485  -3.944
  156   HH22  ARG  17          2HH2      ARG  17   8.280  -9.679  -3.802
  157    HN1  NH2  18          1H        ARG  17  10.189  -4.774   0.574
  158    HN2  NH2  18          2H        ARG  17  11.697  -3.928   0.557
  Start of MODEL   18
    1    H1   ARG   1          1HT       ARG   1  14.227   1.825  -1.284
    2    H2   ARG   1          2HT       ARG   1  14.011   0.921  -2.664
    3    H3   ARG   1          3HT       ARG   1  14.826   0.239  -1.345
    4    HA   ARG   1           HA       ARG   1  12.580  -0.616  -1.535
    5    HB2  ARG   1          2HB       ARG   1  13.475  -0.381   0.737
    6    HB3  ARG   1          1HB       ARG   1  12.951   1.298   0.775
    7    HG2  ARG   1          2HG       ARG   1  10.600   0.513   0.519
    8    HG3  ARG   1          1HG       ARG   1  11.185  -1.140   0.685
    9    HD2  ARG   1          2HD       ARG   1  11.579   1.042   2.711
   10    HD3  ARG   1          1HD       ARG   1  10.297  -0.162   2.794
   11    HE   ARG   1           HE       ARG   1  12.718  -1.489   2.563
   12   HH11  ARG   1          1HH1      ARG   1  11.095   0.640   4.886
   13   HH12  ARG   1          2HH1      ARG   1  11.810  -0.079   6.254
   14   HH21  ARG   1          1HH2      ARG   1  13.699  -2.482   4.459
   15   HH22  ARG   1          2HH2      ARG   1  13.329  -1.876   5.998
   16    H    TRP   2           HN       TRP   2  11.103   0.007  -3.013
   17    HA   TRP   2           HA       TRP   2   9.974   2.675  -2.695
   18    HB2  TRP   2          2HB       TRP   2  10.572   2.040  -5.019
   19    HB3  TRP   2          1HB       TRP   2   9.487   0.655  -4.924
   20    HD1  TRP   2          1HD       TRP   2   9.020   4.435  -4.187
   21    HE1  TRP   2          1HE       TRP   2   6.843   5.215  -5.270
   22    HE3  TRP   2          3HE       TRP   2   7.624   0.051  -6.422
   23    HZ2  TRP   2          2HZ       TRP   2   4.788   4.124  -6.894
   24    HZ3  TRP   2          3HZ       TRP   2   5.537   0.011  -7.722
   25    HH2  TRP   2          2HH       TRP   2   4.154   2.009  -7.950
   26    H    CYS   3           HN       CYS   3   7.793   3.015  -2.256
   27    HA   CYS   3           HA       CYS   3   6.323   0.651  -1.354
   28    HB2  CYS   3          2HB       CYS   3   6.250   3.427  -0.147
   29    HB3  CYS   3          1HB       CYS   3   5.394   2.006   0.429
   30    H    PHE   4           HN       PHE   4   4.353   0.447  -2.063
   31    HA   PHE   4           HA       PHE   4   3.261   2.612  -3.695
   32    HB2  PHE   4          2HB       PHE   4   2.129   0.863  -5.054
   33    HB3  PHE   4          1HB       PHE   4   3.880   0.657  -5.018
   34    HD1  PHE   4          1HD       PHE   4   0.679  -0.751  -3.894
   35    HD2  PHE   4          2HD       PHE   4   4.888  -1.279  -4.052
   36    HE1  PHE   4          1HE       PHE   4   0.400  -3.098  -3.245
   37    HE2  PHE   4          2HE       PHE   4   4.630  -3.633  -3.402
   38    HZ   PHE   4           HZ       PHE   4   2.387  -4.554  -2.999
   39    H    ARG   5           HN       ARG   5   0.786   2.601  -3.629
   40    HA   ARG   5           HA       ARG   5   0.066   1.806  -0.902
   41    HB2  ARG   5          2HB       ARG   5   0.479   4.300  -1.325
   42    HB3  ARG   5          1HB       ARG   5  -1.031   4.270  -2.222
   43    HG2  ARG   5          2HG       ARG   5  -2.247   3.610  -0.255
   44    HG3  ARG   5          1HG       ARG   5  -0.748   3.456   0.662
   45    HD2  ARG   5          2HD       ARG   5  -0.324   5.876   0.186
   46    HD3  ARG   5          1HD       ARG   5  -1.955   5.963  -0.476
   47    HE   ARG   5           HE       ARG   5  -1.989   4.889   2.149
   48   HH11  ARG   5          1HH1      ARG   5  -1.507   7.971   0.470
   49   HH12  ARG   5          2HH1      ARG   5  -2.078   8.917   1.766
   50   HH21  ARG   5          1HH2      ARG   5  -2.752   6.181   3.921
   51   HH22  ARG   5          2HH2      ARG   5  -2.778   7.874   3.784
   52    H    VAL   6           HN       VAL   6  -1.686   0.689  -0.625
   53    HA   VAL   6           HA       VAL   6  -3.418   0.191  -2.940
   54    HB   VAL   6           HB       VAL   6  -2.719  -1.616  -0.586
   55   HG11  VAL   6          1HG1      VAL   6  -4.476  -2.204  -2.972
   56   HG12  VAL   6          2HG1      VAL   6  -5.050  -1.951  -1.324
   57   HG13  VAL   6          3HG1      VAL   6  -4.036  -3.344  -1.701
   58   HG21  VAL   6          1HG2      VAL   6  -2.051  -1.824  -3.507
   59   HG22  VAL   6          2HG2      VAL   6  -1.667  -3.021  -2.269
   60   HG23  VAL   6          3HG2      VAL   6  -0.939  -1.416  -2.204
   61    H    CYS   7           HN       CYS   7  -5.573   0.504  -2.670
   62    HA   CYS   7           HA       CYS   7  -6.374   1.465  -0.032
   63    HB2  CYS   7          2HB       CYS   7  -7.486   2.224  -2.731
   64    HB3  CYS   7          1HB       CYS   7  -8.036   2.821  -1.166
   65    H    TYR   8           HN       TYR   8  -7.844   0.474   0.996
   66    HA   TYR   8           HA       TYR   8  -9.599  -1.450  -0.361
   67    HB2  TYR   8          2HB       TYR   8  -7.785  -2.550   0.937
   68    HB3  TYR   8          1HB       TYR   8  -8.298  -1.622   2.346
   69    HD1  TYR   8          1HD       TYR   8 -10.149  -2.340   3.683
   70    HD2  TYR   8          2HD       TYR   8  -9.255  -4.344   0.053
   71    HE1  TYR   8          1HE       TYR   8 -11.662  -4.144   4.328
   72    HE2  TYR   8          2HE       TYR   8 -10.772  -6.163   0.671
   73    HH   TYR   8           HH       TYR   8 -11.707  -7.128   2.750
   74    H    ARG   9           HN       ARG   9 -11.461  -0.258  -0.337
   75    HA   ARG   9           HA       ARG   9 -13.407   0.623   0.478
   76    HB2  ARG   9          2HB       ARG   9 -12.399  -0.454   3.113
   77    HB3  ARG   9          1HB       ARG   9 -14.014   0.173   2.850
   78    HG2  ARG   9          2HG       ARG   9 -14.348  -1.619   1.150
   79    HG3  ARG   9          1HG       ARG   9 -12.778  -2.265   1.611
   80    HD2  ARG   9          2HD       ARG   9 -14.635  -3.407   2.772
   81    HD3  ARG   9          1HD       ARG   9 -13.515  -2.612   3.880
   82    HE   ARG   9           HE       ARG   9 -15.649  -0.895   3.207
   83   HH11  ARG   9          1HH1      ARG   9 -14.953  -3.729   5.212
   84   HH12  ARG   9          2HH1      ARG   9 -16.118  -3.363   6.396
   85   HH21  ARG   9          1HH2      ARG   9 -17.261  -0.376   4.856
   86   HH22  ARG   9          2HH2      ARG   9 -17.462  -1.420   6.173
   87    H    GLY  10           HN       GLY  10 -10.846   2.204   0.566
   88    HA2  GLY  10          2HA       GLY  10 -10.891   4.586   0.913
   89    HA3  GLY  10          1HA       GLY  10 -11.818   4.306   2.385
   90    H    ILE  11           HN       ILE  11  -9.968   1.939   2.889
   91    HA   ILE  11           HA       ILE  11  -8.028   3.440   4.380
   92    HB   ILE  11           HB       ILE  11  -8.401   0.423   4.169
   93   HG12  ILE  11          2HG1      ILE  11  -9.180   0.644   6.598
   94   HG13  ILE  11          1HG1      ILE  11  -9.340   2.368   6.297
   95   HG21  ILE  11          1HG2      ILE  11  -6.125   0.973   4.742
   96   HG22  ILE  11          2HG2      ILE  11  -6.942   0.234   6.115
   97   HG23  ILE  11          3HG2      ILE  11  -6.672   1.980   6.083
   98   HD11  ILE  11          1HD1      ILE  11 -11.025   1.897   4.599
   99   HD12  ILE  11          2HD1      ILE  11 -11.476   1.167   6.147
  100   HD13  ILE  11          3HD1      ILE  11 -10.794   0.172   4.852
  101    H    CYS  12           HN       CYS  12  -6.489   4.230   3.144
  102    HA   CYS  12           HA       CYS  12  -5.272   2.494   1.148
  103    HB2  CYS  12          2HB       CYS  12  -4.919   5.459   1.630
  104    HB3  CYS  12          1HB       CYS  12  -4.120   4.509   0.380
  105    H    TYR  13           HN       TYR  13  -3.667   1.365   1.793
  106    HA   TYR  13           HA       TYR  13  -1.906   2.467   3.851
  107    HB2  TYR  13          2HB       TYR  13  -1.525   0.104   4.613
  108    HB3  TYR  13          1HB       TYR  13  -3.156   0.692   4.883
  109    HD1  TYR  13          1HD       TYR  13  -1.059  -1.619   2.970
  110    HD2  TYR  13          2HD       TYR  13  -5.025  -0.286   3.689
  111    HE1  TYR  13          1HE       TYR  13  -1.918  -3.597   1.854
  112    HE2  TYR  13          2HE       TYR  13  -5.910  -2.251   2.571
  113    HH   TYR  13           HH       TYR  13  -3.934  -4.929   1.854
  114    H    ARG  14           HN       ARG  14   0.291   1.980   3.665
  115    HA   ARG  14           HA       ARG  14   1.028   1.646   0.887
  116    HB2  ARG  14          2HB       ARG  14   3.108   2.686   1.468
  117    HB3  ARG  14          1HB       ARG  14   1.785   3.654   2.093
  118    HG2  ARG  14          2HG       ARG  14   2.193   2.551   4.323
  119    HG3  ARG  14          1HG       ARG  14   3.659   1.866   3.622
  120    HD2  ARG  14          2HD       ARG  14   2.989   4.774   4.044
  121    HD3  ARG  14          1HD       ARG  14   4.267   3.844   4.811
  122    HE   ARG  14           HE       ARG  14   4.227   4.535   1.947
  123   HH11  ARG  14          1HH1      ARG  14   6.063   3.959   4.917
  124   HH12  ARG  14          2HH1      ARG  14   7.519   4.574   4.289
  125   HH21  ARG  14          1HH2      ARG  14   6.219   5.426   1.110
  126   HH22  ARG  14          2HH2      ARG  14   7.611   5.433   2.084
  127    H    LYS  15           HN       LYS  15   2.293   0.099   0.141
  128    HA   LYS  15           HA       LYS  15   3.215  -1.943   2.022
  129    HB2  LYS  15          2HB       LYS  15   2.324  -2.322  -0.848
  130    HB3  LYS  15          1HB       LYS  15   2.899  -3.590   0.229
  131    HG2  LYS  15          2HG       LYS  15   0.992  -3.155   1.725
  132    HG3  LYS  15          1HG       LYS  15   0.406  -1.941   0.597
  133    HD2  LYS  15          2HD       LYS  15  -0.824  -3.977   0.228
  134    HD3  LYS  15          1HD       LYS  15   0.255  -3.716  -1.134
  135    HE2  LYS  15          2HE       LYS  15   1.792  -5.355  -0.330
  136    HE3  LYS  15          1HE       LYS  15   0.919  -5.502   1.195
  137    HZ1  LYS  15          1HZ       LYS  15   0.392  -7.325  -0.326
  138    HZ2  LYS  15          2HZ       LYS  15  -0.172  -6.222  -1.471
  139    HZ3  LYS  15          3HZ       LYS  15  -0.960  -6.377  -0.009
  140    H    CYS  16           HN       CYS  16   5.341  -2.445   1.869
  141    HA   CYS  16           HA       CYS  16   6.846  -0.821  -0.042
  142    HB2  CYS  16          2HB       CYS  16   7.506  -1.588   2.790
  143    HB3  CYS  16          1HB       CYS  16   8.619  -0.788   1.682
  144    H    ARG  17           HN       ARG  17   8.568  -1.643  -1.062
  145    HA   ARG  17           HA       ARG  17   9.265  -4.443  -0.562
  146    HB2  ARG  17          2HB       ARG  17   9.109  -3.082  -3.259
  147    HB3  ARG  17          1HB       ARG  17   9.641  -4.733  -2.981
  148    HG2  ARG  17          2HG       ARG  17   6.862  -3.638  -2.567
  149    HG3  ARG  17          1HG       ARG  17   7.391  -4.725  -3.854
  150    HD2  ARG  17          2HD       ARG  17   7.916  -6.433  -2.186
  151    HD3  ARG  17          1HD       ARG  17   7.406  -5.339  -0.904
  152    HE   ARG  17           HE       ARG  17   5.584  -6.243  -3.008
  153   HH11  ARG  17          1HH1      ARG  17   6.261  -5.651   0.439
  154   HH12  ARG  17          2HH1      ARG  17   4.809  -6.327   0.993
  155   HH21  ARG  17          1HH2      ARG  17   3.571  -7.174  -2.228
  156   HH22  ARG  17          2HH2      ARG  17   3.254  -7.242  -0.561
  157    HN1  NH2  18          1H        ARG  17  11.056  -4.031   0.524
  158    HN2  NH2  18          2H        ARG  17  12.378  -3.064  -0.021
  Start of MODEL   19
    1    H1   ARG   1          1HT       ARG   1  14.251   1.734  -1.370
    2    H2   ARG   1          2HT       ARG   1  12.773   2.494  -1.002
    3    H3   ARG   1          3HT       ARG   1  13.501   2.775  -2.467
    4    HA   ARG   1           HA       ARG   1  13.128   0.529  -3.164
    5    HB2  ARG   1          2HB       ARG   1  11.711   0.299  -0.485
    6    HB3  ARG   1          1HB       ARG   1  11.620  -0.881  -1.775
    7    HG2  ARG   1          2HG       ARG   1  14.142  -0.132  -0.313
    8    HG3  ARG   1          1HG       ARG   1  13.126  -1.526   0.042
    9    HD2  ARG   1          2HD       ARG   1  14.479  -1.010  -2.608
   10    HD3  ARG   1          1HD       ARG   1  15.084  -2.102  -1.367
   11    HE   ARG   1           HE       ARG   1  12.664  -3.099  -1.739
   12   HH11  ARG   1          1HH1      ARG   1  14.991  -2.065  -4.170
   13   HH12  ARG   1          2HH1      ARG   1  14.522  -3.221  -5.315
   14   HH21  ARG   1          1HH2      ARG   1  12.011  -4.679  -3.305
   15   HH22  ARG   1          2HH2      ARG   1  12.794  -4.742  -4.823
   16    H    TRP   2           HN       TRP   2  11.028   0.018  -4.124
   17    HA   TRP   2           HA       TRP   2   9.450   2.379  -4.217
   18    HB2  TRP   2          2HB       TRP   2   8.123   1.241  -5.973
   19    HB3  TRP   2          1HB       TRP   2   9.841   1.219  -6.319
   20    HD1  TRP   2          1HD       TRP   2  11.049  -1.286  -5.609
   21    HE1  TRP   2          1HE       TRP   2  10.109  -3.637  -6.136
   22    HE3  TRP   2          3HE       TRP   2   6.144  -0.063  -6.319
   23    HZ2  TRP   2          2HZ       TRP   2   7.623  -4.795  -6.770
   24    HZ3  TRP   2          3HZ       TRP   2   4.551  -1.849  -6.889
   25    HH2  TRP   2          2HH       TRP   2   5.281  -4.165  -7.107
   26    H    CYS   3           HN       CYS   3   8.130   2.821  -2.734
   27    HA   CYS   3           HA       CYS   3   6.615   0.720  -1.378
   28    HB2  CYS   3          2HB       CYS   3   7.026   3.622  -0.611
   29    HB3  CYS   3          1HB       CYS   3   6.239   2.396   0.368
   30    H    PHE   4           HN       PHE   4   4.444   0.637  -1.607
   31    HA   PHE   4           HA       PHE   4   3.308   2.691  -3.310
   32    HB2  PHE   4          2HB       PHE   4   2.011   0.879  -4.453
   33    HB3  PHE   4          1HB       PHE   4   3.755   0.827  -4.698
   34    HD1  PHE   4          1HD       PHE   4   5.069  -1.022  -3.923
   35    HD2  PHE   4          2HD       PHE   4   0.914  -0.813  -3.075
   36    HE1  PHE   4          1HE       PHE   4   5.101  -3.378  -3.232
   37    HE2  PHE   4          2HE       PHE   4   0.924  -3.145  -2.369
   38    HZ   PHE   4           HZ       PHE   4   3.028  -4.455  -2.449
   39    H    ARG   5           HN       ARG   5   1.009   2.810  -3.250
   40    HA   ARG   5           HA       ARG   5   0.019   2.504  -0.510
   41    HB2  ARG   5          2HB       ARG   5   0.232   4.793  -1.318
   42    HB3  ARG   5          1HB       ARG   5  -0.713   4.397  -2.739
   43    HG2  ARG   5          2HG       ARG   5  -2.684   4.078  -1.374
   44    HG3  ARG   5          1HG       ARG   5  -1.738   4.413   0.083
   45    HD2  ARG   5          2HD       ARG   5  -1.233   6.644  -0.720
   46    HD3  ARG   5          1HD       ARG   5  -2.074   6.317  -2.228
   47    HE   ARG   5           HE       ARG   5  -4.128   6.241  -1.010
   48   HH11  ARG   5          1HH1      ARG   5  -1.373   7.664   0.744
   49   HH12  ARG   5          2HH1      ARG   5  -2.341   8.543   1.815
   50   HH21  ARG   5          1HH2      ARG   5  -5.443   7.513   0.457
   51   HH22  ARG   5          2HH2      ARG   5  -4.695   8.463   1.655
   52    H    VAL   6           HN       VAL   6  -1.315   0.827  -0.307
   53    HA   VAL   6           HA       VAL   6  -2.986   0.051  -2.585
   54    HB   VAL   6           HB       VAL   6  -2.380  -1.489  -0.024
   55   HG11  VAL   6          1HG1      VAL   6  -3.885  -2.346  -2.496
   56   HG12  VAL   6          2HG1      VAL   6  -4.598  -2.022  -0.916
   57   HG13  VAL   6          3HG1      VAL   6  -3.484  -3.377  -1.121
   58   HG21  VAL   6          1HG2      VAL   6  -1.434  -1.928  -2.838
   59   HG22  VAL   6          2HG2      VAL   6  -1.126  -2.984  -1.458
   60   HG23  VAL   6          3HG2      VAL   6  -0.466  -1.349  -1.482
   61    H    CYS   7           HN       CYS   7  -5.119   0.466  -2.531
   62    HA   CYS   7           HA       CYS   7  -6.205   1.417   0.014
   63    HB2  CYS   7          2HB       CYS   7  -6.933   2.263  -2.787
   64    HB3  CYS   7          1HB       CYS   7  -7.769   2.778  -1.328
   65    H    TYR   8           HN       TYR   8  -7.835   0.410   0.831
   66    HA   TYR   8           HA       TYR   8  -9.483  -1.305  -0.881
   67    HB2  TYR   8          2HB       TYR   8  -7.995  -2.694   0.490
   68    HB3  TYR   8          1HB       TYR   8  -8.549  -1.819   1.925
   69    HD1  TYR   8          1HD       TYR   8  -9.730  -4.068  -0.814
   70    HD2  TYR   8          2HD       TYR   8 -10.478  -2.557   3.089
   71    HE1  TYR   8          1HE       TYR   8 -11.570  -5.663  -0.559
   72    HE2  TYR   8          2HE       TYR   8 -12.321  -4.140   3.361
   73    HH   TYR   8           HH       TYR   8 -13.791  -5.530   2.131
   74    H    ARG   9           HN       ARG   9 -11.236  -0.063  -1.032
   75    HA   ARG   9           HA       ARG   9 -13.175   0.949  -0.521
   76    HB2  ARG   9          2HB       ARG   9 -12.862  -0.718   1.972
   77    HB3  ARG   9          1HB       ARG   9 -14.331   0.158   1.576
   78    HG2  ARG   9          2HG       ARG   9 -13.077  -2.020  -0.093
   79    HG3  ARG   9          1HG       ARG   9 -14.489  -2.207   0.951
   80    HD2  ARG   9          2HD       ARG   9 -15.697  -0.556  -0.397
   81    HD3  ARG   9          1HD       ARG   9 -14.288  -0.354  -1.428
   82    HE   ARG   9           HE       ARG   9 -15.020  -3.043  -1.379
   83   HH11  ARG   9          1HH1      ARG   9 -16.185   0.084  -2.594
   84   HH12  ARG   9          2HH1      ARG   9 -16.987  -0.563  -3.940
   85   HH21  ARG   9          1HH2      ARG   9 -16.143  -3.944  -3.271
   86   HH22  ARG   9          2HH2      ARG   9 -16.973  -2.890  -4.328
   87    H    GLY  10           HN       GLY  10 -10.732   2.324   0.180
   88    HA2  GLY  10          2HA       GLY  10 -10.867   4.666   0.870
   89    HA3  GLY  10          1HA       GLY  10 -11.861   4.124   2.214
   90    H    ILE  11           HN       ILE  11 -10.053   1.767   2.620
   91    HA   ILE  11           HA       ILE  11  -8.236   3.159   4.368
   92    HB   ILE  11           HB       ILE  11  -8.632   0.174   3.962
   93   HG12  ILE  11          2HG1      ILE  11  -9.595   0.280   6.314
   94   HG13  ILE  11          1HG1      ILE  11  -9.665   2.026   6.121
   95   HG21  ILE  11          1HG2      ILE  11  -7.357  -0.088   6.074
   96   HG22  ILE  11          2HG2      ILE  11  -6.946   1.628   5.987
   97   HG23  ILE  11          3HG2      ILE  11  -6.413   0.523   4.719
   98   HD11  ILE  11          1HD1      ILE  11 -11.215   1.757   4.281
   99   HD12  ILE  11          2HD1      ILE  11 -11.818   0.906   5.711
  100   HD13  ILE  11          3HD1      ILE  11 -11.053   0.011   4.390
  101    H    CYS  12           HN       CYS  12  -6.477   3.908   3.460
  102    HA   CYS  12           HA       CYS  12  -5.156   2.219   1.495
  103    HB2  CYS  12          2HB       CYS  12  -4.774   5.170   2.023
  104    HB3  CYS  12          1HB       CYS  12  -3.968   4.238   0.771
  105    H    TYR  13           HN       TYR  13  -3.300   1.332   2.045
  106    HA   TYR  13           HA       TYR  13  -1.805   2.484   4.265
  107    HB2  TYR  13          2HB       TYR  13  -1.177   0.143   4.956
  108    HB3  TYR  13          1HB       TYR  13  -2.865   0.547   5.219
  109    HD1  TYR  13          1HD       TYR  13  -4.615  -0.547   3.932
  110    HD2  TYR  13          2HD       TYR  13  -0.523  -1.517   3.273
  111    HE1  TYR  13          1HE       TYR  13  -5.302  -2.522   2.705
  112    HE2  TYR  13          2HE       TYR  13  -1.193  -3.516   2.030
  113    HH   TYR  13           HH       TYR  13  -3.138  -5.024   1.834
  114    H    ARG  14           HN       ARG  14   0.422   2.220   4.160
  115    HA   ARG  14           HA       ARG  14   1.377   2.001   1.441
  116    HB2  ARG  14          2HB       ARG  14   2.149   3.940   2.642
  117    HB3  ARG  14          1HB       ARG  14   2.704   2.953   3.982
  118    HG2  ARG  14          2HG       ARG  14   4.483   2.029   2.629
  119    HG3  ARG  14          1HG       ARG  14   3.869   2.856   1.199
  120    HD2  ARG  14          2HD       ARG  14   4.856   4.246   3.692
  121    HD3  ARG  14          1HD       ARG  14   5.823   3.993   2.239
  122    HE   ARG  14           HE       ARG  14   3.523   5.183   1.392
  123   HH11  ARG  14          1HH1      ARG  14   6.140   6.116   3.589
  124   HH12  ARG  14          2HH1      ARG  14   5.977   7.782   3.310
  125   HH21  ARG  14          1HH2      ARG  14   3.308   7.482   0.998
  126   HH22  ARG  14          2HH2      ARG  14   4.340   8.572   1.779
  127    H    LYS  15           HN       LYS  15   2.081   0.207   0.697
  128    HA   LYS  15           HA       LYS  15   3.231  -1.755   2.532
  129    HB2  LYS  15          2HB       LYS  15   1.067  -2.379   1.341
  130    HB3  LYS  15          1HB       LYS  15   1.954  -2.263  -0.170
  131    HG2  LYS  15          2HG       LYS  15   3.404  -4.059   0.495
  132    HG3  LYS  15          1HG       LYS  15   2.638  -4.129   2.084
  133    HD2  LYS  15          2HD       LYS  15   0.495  -4.698   0.965
  134    HD3  LYS  15          1HD       LYS  15   1.353  -4.742  -0.576
  135    HE2  LYS  15          2HE       LYS  15   1.105  -6.990   0.322
  136    HE3  LYS  15          1HE       LYS  15   2.803  -6.520   0.290
  137    HZ1  LYS  15          1HZ       LYS  15   2.628  -6.004   2.684
  138    HZ2  LYS  15          2HZ       LYS  15   2.248  -7.611   2.375
  139    HZ3  LYS  15          3HZ       LYS  15   1.030  -6.503   2.673
  140    H    CYS  16           HN       CYS  16   5.313  -2.445   2.006
  141    HA   CYS  16           HA       CYS  16   6.443  -1.416  -0.453
  142    HB2  CYS  16          2HB       CYS  16   6.585   0.413   1.239
  143    HB3  CYS  16          1HB       CYS  16   7.544  -0.659   2.250
  144    H    ARG  17           HN       ARG  17   7.925  -2.749  -1.192
  145    HA   ARG  17           HA       ARG  17   8.816  -4.846   0.612
  146    HB2  ARG  17          2HB       ARG  17   9.435  -6.114  -1.474
  147    HB3  ARG  17          1HB       ARG  17   7.721  -5.811  -1.278
  148    HG2  ARG  17          2HG       ARG  17   7.801  -4.076  -2.953
  149    HG3  ARG  17          1HG       ARG  17   9.557  -4.234  -3.069
  150    HD2  ARG  17          2HD       ARG  17   7.549  -6.393  -3.716
  151    HD3  ARG  17          1HD       ARG  17   8.420  -5.411  -4.895
  152    HE   ARG  17           HE       ARG  17  10.222  -6.704  -3.137
  153   HH11  ARG  17          1HH1      ARG  17   8.134  -7.422  -5.912
  154   HH12  ARG  17          2HH1      ARG  17   9.124  -8.683  -6.481
  155   HH21  ARG  17          1HH2      ARG  17  11.544  -8.441  -3.916
  156   HH22  ARG  17          2HH2      ARG  17  11.092  -9.277  -5.336
  157    HN1  NH2  18          1H        ARG  17  10.292  -3.411   1.559
  158    HN2  NH2  18          2H        ARG  17  11.824  -3.101   0.827
  Start of MODEL   20
    1    H1   ARG   1          1HT       ARG   1  14.037   0.615  -0.779
    2    H2   ARG   1          2HT       ARG   1  13.327   0.483  -2.287
    3    H3   ARG   1          3HT       ARG   1  12.438   0.120  -0.895
    4    HA   ARG   1           HA       ARG   1  12.537   2.359  -0.141
    5    HB2  ARG   1          2HB       ARG   1  13.460   4.125  -1.481
    6    HB3  ARG   1          1HB       ARG   1  14.707   2.900  -1.306
    7    HG2  ARG   1          2HG       ARG   1  14.199   2.079  -3.569
    8    HG3  ARG   1          1HG       ARG   1  12.949   3.306  -3.716
    9    HD2  ARG   1          2HD       ARG   1  14.906   4.072  -4.847
   10    HD3  ARG   1          1HD       ARG   1  14.679   5.046  -3.396
   11    HE   ARG   1           HE       ARG   1  16.410   2.862  -2.885
   12   HH11  ARG   1          1HH1      ARG   1  16.350   6.088  -4.331
   13   HH12  ARG   1          2HH1      ARG   1  18.035   6.303  -4.264
   14   HH21  ARG   1          1HH2      ARG   1  18.733   3.164  -2.770
   15   HH22  ARG   1          2HH2      ARG   1  19.407   4.609  -3.352
   16    H    TRP   2           HN       TRP   2  11.332   0.403  -2.562
   17    HA   TRP   2           HA       TRP   2   9.591   2.458  -3.602
   18    HB2  TRP   2          2HB       TRP   2  10.195  -0.322  -4.599
   19    HB3  TRP   2          1HB       TRP   2   8.981   0.752  -5.294
   20    HD1  TRP   2          1HD       TRP   2   9.907   3.038  -6.435
   21    HE1  TRP   2          1HE       TRP   2  12.116   3.511  -7.627
   22    HE3  TRP   2          3HE       TRP   2  12.633  -0.905  -4.671
   23    HZ2  TRP   2          2HZ       TRP   2  14.686   2.364  -7.808
   24    HZ3  TRP   2          3HZ       TRP   2  14.963  -1.142  -5.405
   25    HH2  TRP   2          2HH       TRP   2  15.965   0.461  -6.944
   26    H    CYS   3           HN       CYS   3   7.661   2.615  -2.915
   27    HA   CYS   3           HA       CYS   3   6.365   0.316  -1.689
   28    HB2  CYS   3          2HB       CYS   3   6.333   3.150  -0.644
   29    HB3  CYS   3          1HB       CYS   3   5.523   1.757   0.058
   30    H    PHE   4           HN       PHE   4   4.173   0.319  -1.929
   31    HA   PHE   4           HA       PHE   4   3.134   2.329  -3.733
   32    HB2  PHE   4          2HB       PHE   4   1.799   0.516  -4.839
   33    HB3  PHE   4          1HB       PHE   4   3.544   0.390  -5.053
   34    HD1  PHE   4          1HD       PHE   4   0.626  -1.062  -3.394
   35    HD2  PHE   4          2HD       PHE   4   4.760  -1.488  -4.236
   36    HE1  PHE   4          1HE       PHE   4   0.518  -3.368  -2.629
   37    HE2  PHE   4          2HE       PHE   4   4.671  -3.833  -3.469
   38    HZ   PHE   4           HZ       PHE   4   2.558  -4.780  -2.670
   39    H    ARG   5           HN       ARG   5   1.025   2.912  -3.397
   40    HA   ARG   5           HA       ARG   5   0.143   2.268  -0.690
   41    HB2  ARG   5          2HB       ARG   5   0.642   4.642  -1.340
   42    HB3  ARG   5          1HB       ARG   5  -0.718   4.571  -2.443
   43    HG2  ARG   5          2HG       ARG   5  -2.211   4.171  -0.547
   44    HG3  ARG   5          1HG       ARG   5  -0.828   4.254   0.548
   45    HD2  ARG   5          2HD       ARG   5  -0.373   6.549  -0.325
   46    HD3  ARG   5          1HD       ARG   5  -1.886   6.440  -1.224
   47    HE   ARG   5           HE       ARG   5  -1.875   6.088   1.671
   48   HH11  ARG   5          1HH1      ARG   5  -2.973   7.958  -1.150
   49   HH12  ARG   5          2HH1      ARG   5  -3.966   8.999  -0.251
   50   HH21  ARG   5          1HH2      ARG   5  -3.233   7.522   2.910
   51   HH22  ARG   5          2HH2      ARG   5  -4.135   8.732   2.132
   52    H    VAL   6           HN       VAL   6  -1.407   0.872  -0.532
   53    HA   VAL   6           HA       VAL   6  -3.132   0.331  -2.835
   54    HB   VAL   6           HB       VAL   6  -2.636  -1.360  -0.348
   55   HG11  VAL   6          1HG1      VAL   6  -3.883  -3.123  -1.504
   56   HG12  VAL   6          2HG1      VAL   6  -4.229  -2.016  -2.831
   57   HG13  VAL   6          3HG1      VAL   6  -4.898  -1.708  -1.230
   58   HG21  VAL   6          1HG2      VAL   6  -0.727  -1.314  -1.792
   59   HG22  VAL   6          2HG2      VAL   6  -1.731  -1.720  -3.184
   60   HG23  VAL   6          3HG2      VAL   6  -1.517  -2.887  -1.875
   61    H    CYS   7           HN       CYS   7  -5.243   0.839  -2.713
   62    HA   CYS   7           HA       CYS   7  -6.236   1.659  -0.094
   63    HB2  CYS   7          2HB       CYS   7  -7.156   2.440  -2.866
   64    HB3  CYS   7          1HB       CYS   7  -7.960   2.911  -1.371
   65    H    TYR   8           HN       TYR   8  -7.710   0.522   0.809
   66    HA   TYR   8           HA       TYR   8  -9.298  -1.343  -0.785
   67    HB2  TYR   8          2HB       TYR   8  -7.389  -2.507   0.321
   68    HB3  TYR   8          1HB       TYR   8  -7.966  -1.875   1.863
   69    HD1  TYR   8          1HD       TYR   8  -9.799  -2.878   3.000
   70    HD2  TYR   8          2HD       TYR   8  -8.692  -4.230  -0.871
   71    HE1  TYR   8          1HE       TYR   8 -11.228  -4.812   3.293
   72    HE2  TYR   8          2HE       TYR   8 -10.129  -6.194  -0.603
   73    HH   TYR   8           HH       TYR   8 -12.413  -6.445   1.865
   74    H    ARG   9           HN       ARG   9 -11.206  -0.344  -0.579
   75    HA   ARG   9           HA       ARG   9 -13.202   0.368   0.301
   76    HB2  ARG   9          2HB       ARG   9 -12.156  -0.827   2.881
   77    HB3  ARG   9          1HB       ARG   9 -13.806  -0.301   2.609
   78    HG2  ARG   9          2HG       ARG   9 -12.404  -2.553   1.180
   79    HG3  ARG   9          1HG       ARG   9 -13.598  -2.711   2.469
   80    HD2  ARG   9          2HD       ARG   9 -14.050  -1.529  -0.266
   81    HD3  ARG   9          1HD       ARG   9 -14.628  -3.086   0.320
   82    HE   ARG   9           HE       ARG   9 -15.564  -1.180   2.074
   83   HH11  ARG   9          1HH1      ARG   9 -16.047  -2.069  -1.317
   84   HH12  ARG   9          2HH1      ARG   9 -17.595  -1.398  -1.436
   85   HH21  ARG   9          1HH2      ARG   9 -17.714  -0.191   1.890
   86   HH22  ARG   9          2HH2      ARG   9 -18.530  -0.256   0.404
   87    H    GLY  10           HN       GLY  10 -10.700   1.972   0.471
   88    HA2  GLY  10          2HA       GLY  10 -10.761   4.327   1.014
   89    HA3  GLY  10          1HA       GLY  10 -11.689   3.903   2.450
   90    H    ILE  11           HN       ILE  11  -9.828   1.544   2.875
   91    HA   ILE  11           HA       ILE  11  -7.949   2.981   4.484
   92    HB   ILE  11           HB       ILE  11  -8.158  -0.015   3.981
   93   HG12  ILE  11          2HG1      ILE  11  -8.935  -0.031   6.448
   94   HG13  ILE  11          1HG1      ILE  11  -9.263   1.682   6.224
   95   HG21  ILE  11          1HG2      ILE  11  -5.922   0.527   4.625
   96   HG22  ILE  11          2HG2      ILE  11  -6.721  -0.302   5.958
   97   HG23  ILE  11          3HG2      ILE  11  -6.494   1.448   6.016
   98   HD11  ILE  11          1HD1      ILE  11 -10.481  -0.582   4.662
   99   HD12  ILE  11          2HD1      ILE  11 -10.858   1.129   4.461
  100   HD13  ILE  11          3HD1      ILE  11 -11.260   0.304   5.973
  101    H    CYS  12           HN       CYS  12  -6.488   3.986   3.280
  102    HA   CYS  12           HA       CYS  12  -5.076   2.452   1.240
  103    HB2  CYS  12          2HB       CYS  12  -4.892   5.414   1.858
  104    HB3  CYS  12          1HB       CYS  12  -4.117   4.547   0.533
  105    H    TYR  13           HN       TYR  13  -3.194   1.648   1.703
  106    HA   TYR  13           HA       TYR  13  -1.708   2.845   3.902
  107    HB2  TYR  13          2HB       TYR  13  -1.062   0.575   4.681
  108    HB3  TYR  13          1HB       TYR  13  -2.781   0.907   4.849
  109    HD1  TYR  13          1HD       TYR  13  -0.263  -1.140   3.191
  110    HD2  TYR  13          2HD       TYR  13  -4.409  -0.224   3.401
  111    HE1  TYR  13          1HE       TYR  13  -0.773  -3.192   1.976
  112    HE2  TYR  13          2HE       TYR  13  -4.941  -2.263   2.190
  113    HH   TYR  13           HH       TYR  13  -2.566  -4.698   1.630
  114    H    ARG  14           HN       ARG  14   0.498   2.576   3.803
  115    HA   ARG  14           HA       ARG  14   1.470   2.320   1.084
  116    HB2  ARG  14          2HB       ARG  14   2.172   4.225   2.520
  117    HB3  ARG  14          1HB       ARG  14   2.942   3.081   3.607
  118    HG2  ARG  14          2HG       ARG  14   4.376   2.337   1.758
  119    HG3  ARG  14          1HG       ARG  14   3.669   3.587   0.736
  120    HD2  ARG  14          2HD       ARG  14   5.751   4.362   1.599
  121    HD3  ARG  14          1HD       ARG  14   4.459   5.280   2.378
  122    HE   ARG  14           HE       ARG  14   4.846   3.385   4.171
  123   HH11  ARG  14          1HH1      ARG  14   7.275   5.284   2.384
  124   HH12  ARG  14          2HH1      ARG  14   8.437   5.140   3.618
  125   HH21  ARG  14          1HH2      ARG  14   6.476   3.249   5.829
  126   HH22  ARG  14          2HH2      ARG  14   7.992   4.002   5.568
  127    H    LYS  15           HN       LYS  15   2.002   0.345   0.432
  128    HA   LYS  15           HA       LYS  15   3.070  -1.525   2.408
  129    HB2  LYS  15          2HB       LYS  15   0.967  -2.107   1.101
  130    HB3  LYS  15          1HB       LYS  15   1.965  -2.129  -0.342
  131    HG2  LYS  15          2HG       LYS  15   3.279  -3.953   0.563
  132    HG3  LYS  15          1HG       LYS  15   2.342  -3.907   2.060
  133    HD2  LYS  15          2HD       LYS  15   0.292  -4.365   0.677
  134    HD3  LYS  15          1HD       LYS  15   1.362  -4.608  -0.698
  135    HE2  LYS  15          2HE       LYS  15   1.470  -6.171   1.876
  136    HE3  LYS  15          1HE       LYS  15   0.688  -6.723   0.403
  137    HZ1  LYS  15          1HZ       LYS  15   2.877  -7.662   0.669
  138    HZ2  LYS  15          2HZ       LYS  15   3.588  -6.145   0.708
  139    HZ3  LYS  15          3HZ       LYS  15   2.851  -6.694  -0.696
  140    H    CYS  16           HN       CYS  16   5.145  -2.199   2.126
  141    HA   CYS  16           HA       CYS  16   6.552  -1.091  -0.200
  142    HB2  CYS  16          2HB       CYS  16   7.579  -1.597   2.596
  143    HB3  CYS  16          1HB       CYS  16   8.544  -1.012   1.244
  144    H    ARG  17           HN       ARG  17   7.946  -2.374  -1.301
  145    HA   ARG  17           HA       ARG  17   7.607  -5.208  -0.939
  146    HB2  ARG  17          2HB       ARG  17   9.172  -3.621  -2.970
  147    HB3  ARG  17          1HB       ARG  17   9.064  -5.376  -2.991
  148    HG2  ARG  17          2HG       ARG  17   6.633  -5.194  -3.299
  149    HG3  ARG  17          1HG       ARG  17   6.783  -3.435  -3.306
  150    HD2  ARG  17          2HD       ARG  17   6.640  -4.297  -5.593
  151    HD3  ARG  17          1HD       ARG  17   8.210  -3.559  -5.281
  152    HE   ARG  17           HE       ARG  17   8.559  -6.204  -4.742
  153   HH11  ARG  17          1HH1      ARG  17   7.380  -4.461  -7.589
  154   HH12  ARG  17          2HH1      ARG  17   8.068  -5.514  -8.723
  155   HH21  ARG  17          1HH2      ARG  17   9.550  -7.687  -6.346
  156   HH22  ARG  17          2HH2      ARG  17   9.302  -7.381  -7.997
  157    HN1  NH2  18          1H        ARG  17  10.596  -3.439  -1.581
  158    HN2  NH2  18          2H        ARG  17  11.521  -4.233  -0.356