*HEADER    ANTIMICROBIAL PROTEIN                   25-JUN-19   6PI3              
*TITLE     NMR SOLUTION STRUCTURE OF NATIVE TACHYPLESIN III PEPTIDE              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TACHYPLESIN-3;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: TACHYPLESIN III;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: TACHYPLEUS GIGAS;                               
*SOURCE   4 ORGANISM_COMMON: SOUTHEAST ASIAN HORSESHOE CRAB;                     
*SOURCE   5 ORGANISM_TAXID: 6852                                                 
*KEYWDS    DEFENSE PEPTIDE, ANTIMICROBIAL PROTEIN                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.J.HARVEY,S.TROEIRA HENRIQUES,F.VERNEN                               
*REVDAT   1   11-SEP-19 6PI3    0                                                
# Restraints file 1: T3restraintspdb.tbl
!distance restraints
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.820    1.020    1.020  
assign (resid  11 and name   HB)   (resid  11 and name HD1#)   2.675    0.875    0.875  
assign (resid  11 and name   HA)   (resid  11 and name HD1#)   2.560    0.760    0.760  
assign (resid  11 and name   HA)   (resid  11 and name HG2#)   2.450    0.650    0.650  
assign (resid   4 and name  HB2)   (resid   6 and name   HA)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  11 and name   HB)   2.470    0.670    0.670  
assign (resid  11 and name   HN)   (resid  11 and name HG12)   2.785    0.985    0.985  
assign (resid  11 and name   HN)   (resid  11 and name HG11)   2.785    0.985    0.985  
assign (resid  11 and name   HN)   (resid  11 and name HD1#)   3.120    1.320    1.320  
assign (resid  11 and name   HN)   (resid  11 and name HG2#)   2.990    1.190    1.190  
assign (resid   8 and name  HB1)   (resid  11 and name   HN)   3.085    1.285    1.285  
assign (resid   7 and name  HB1)   (resid  11 and name   HN)   3.510    1.710    1.710  
assign (resid   7 and name   HA)   (resid  11 and name   HN)   3.490    1.690    1.690  
assign (resid   8 and name   HN)   (resid  11 and name   HN)   2.715    0.915    0.915  
assign (resid  11 and name HG2#)   (resid  12 and name   HA)   3.150    1.350    1.350  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.595    0.795    0.795  
assign (resid  11 and name   HB)   (resid  12 and name   HN)   3.250    1.450    1.450  
assign (resid  11 and name HG2#)   (resid  12 and name   HN)   2.770    0.970    0.970  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.240    1.440    1.440  
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.910    1.110    1.110  
assign (resid   7 and name   HA)   (resid  13 and name  HD#)   3.240    1.440    1.440  
assign (resid  13 and name  HD#)   (resid  14 and name   HA)   2.935    1.135    1.135  
assign (resid   6 and name   HB)   (resid  13 and name  HD#)   3.060    1.260    1.260  
assign (resid  11 and name HG2#)   (resid  13 and name  HD#)   2.705    0.905    0.905  
assign (resid  11 and name   HB)   (resid  13 and name  HE#)   3.040    1.240    1.240  
assign (resid  13 and name   HN)   (resid  13 and name  HD#)   2.715    0.915    0.915  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.200    0.400    0.400  
assign (resid   7 and name   HA)   (resid  13 and name   HN)   2.775    0.975    0.975  
assign (resid   5 and name   HA)   (resid  13 and name   HN)   3.140    1.340    1.340  
assign (resid  13 and name   HN)   (resid  14 and name   HA)   3.335    1.535    1.535  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.960    1.160    1.160  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.695    0.895    0.895  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   2.625    0.825    0.825  
assign (resid   6 and name   HB)   (resid  13 and name   HN)   3.080    1.280    1.280  
assign (resid  11 and name HG2#)   (resid  13 and name   HN)   3.285    1.485    1.485  
assign (resid   6 and name   HN)   (resid  13 and name   HN)   2.585    0.785    0.785  
assign (resid   8 and name  HD#)   (resid   9 and name  HB2)   2.920    1.120    1.120  
assign (resid   8 and name  HD#)   (resid   9 and name  HG2)   3.290    1.490    1.490  
assign (resid   8 and name  HD#)   (resid   9 and name  HG1)   3.290    1.490    1.490  
assign (resid   6 and name HG2#)   (resid   8 and name  HD#)   3.650    1.850    1.850  
assign (resid   8 and name  HE#)   (resid   9 and name  HB2)   3.440    1.640    1.640  
assign (resid   6 and name HG1#)   (resid   8 and name  HE#)   3.265    1.465    1.465  
assign (resid   8 and name   HN)   (resid   8 and name  HD#)   3.200    1.400    1.400  
assign (resid   8 and name   HN)   (resid  11 and name   HB)   3.315    1.515    1.515  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.820    1.020    1.020  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.620    0.820    0.820  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.825    1.025    1.025  
assign (resid   8 and name   HN)   (resid  12 and name   HA)   2.925    1.125    1.125  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.285    0.485    0.485  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.275    0.475    0.475  
assign (resid   6 and name   HN)   (resid   6 and name HG2#)   2.695    0.895    0.895  
assign (resid   6 and name   HN)   (resid   6 and name   HB)   2.575    0.775    0.775  
assign (resid   5 and name  HG2)   (resid   6 and name   HN)   2.940    1.140    1.140  
assign (resid   5 and name  HG1)   (resid   6 and name   HN)   2.940    1.140    1.140  
assign (resid   6 and name   HN)   (resid  13 and name  HB2)   3.540    1.740    1.740  
assign (resid   4 and name  HB2)   (resid   6 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid  13 and name  HB1)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid  12 and name  HB1)   3.440    1.640    1.640  
assign (resid   6 and name   HN)   (resid  12 and name   HA)   3.235    1.435    1.435  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.155    0.355    0.355  
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)   3.175    1.375    1.375  
assign (resid   5 and name   HA)   (resid   5 and name  HG2)   2.870    1.070    1.070  
assign (resid   5 and name   HA)   (resid   5 and name  HG1)   2.870    1.070    1.070  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   3.305    1.505    1.505  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.715    0.915    0.915  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.715    0.915    0.915  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   2.525    0.725    0.725  
assign (resid   4 and name  HD#)   (resid   5 and name   HN)   3.295    1.495    1.495  
assign (resid   4 and name   HN)   (resid   4 and name  HE#)   3.275    1.475    1.475  
assign (resid   4 and name   HN)   (resid   4 and name  HD#)   2.815    1.015    1.015  
assign (resid   3 and name   HA)   (resid   4 and name  HD#)   2.870    1.070    1.070  
assign (resid   4 and name  HE#)   (resid  15 and name  HD2)   3.355    1.555    1.555  
assign (resid   4 and name  HE#)   (resid  15 and name  HD1)   3.355    1.555    1.555  
assign (resid   4 and name  HE#)   (resid   6 and name   HB)   3.435    1.635    1.635  
assign (resid   4 and name  HE#)   (resid  15 and name  HB2)   3.230    1.430    1.430  
assign (resid   4 and name  HE#)   (resid  15 and name  HB1)   3.230    1.430    1.430  
assign (resid   4 and name  HE#)   (resid   6 and name HG2#)   2.645    0.845    0.845  
assign (resid   4 and name  HD#)   (resid  15 and name  HD2)   3.650    1.850    1.850  
assign (resid   4 and name  HD#)   (resid  15 and name  HD1)   3.650    1.850    1.850  
assign (resid   4 and name  HD#)   (resid   6 and name   HB)   3.345    1.545    1.545  
assign (resid   4 and name  HD#)   (resid  15 and name  HB2)   3.475    1.675    1.675  
assign (resid   4 and name  HD#)   (resid  15 and name  HB1)   3.475    1.675    1.675  
assign (resid   4 and name  HD#)   (resid   6 and name HG2#)   2.700    0.900    0.900  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.235    0.435    0.435  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.560    0.760    0.760  
assign (resid   2 and name   HA)   (resid   2 and name  HD1)   3.080    1.280    1.280  
assign (resid   2 and name  HB2)   (resid   2 and name  HD1)   2.830    1.030    1.030  
assign (resid   3 and name   HA)   (resid   4 and name  HE#)   3.330    1.530    1.530  
assign (resid  15 and name   HA)   (resid  15 and name  HG1)   2.915    1.115    1.115  
assign (resid   6 and name HG2#)   (resid  15 and name   HN)   3.050    1.250    1.250  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   3.240    1.440    1.440  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   3.240    1.440    1.440  
assign (resid   5 and name   HA)   (resid  15 and name   HN)   2.920    1.120    1.120  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.800    1.000    1.000  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.800    1.000    1.000  
assign (resid   8 and name  HB1)   (resid  11 and name HG2#)   3.185    1.385    1.385  
assign (resid  11 and name HG2#)   (resid  13 and name  HB1)   3.180    1.380    1.380  
assign (resid   4 and name  HD#)   (resid   6 and name   HA)   3.370    1.570    1.570  
assign (resid   9 and name   HA)   (resid   9 and name  HD2)   3.650    1.850    1.850  
assign (resid   9 and name   HA)   (resid   9 and name  HD1)   3.650    1.850    1.850  
assign (resid   8 and name  HB2)   (resid  12 and name   HA)   3.595    1.795    1.795  
assign (resid   7 and name  HB1)   (resid  12 and name   HA)   3.225    1.425    1.425  
assign (resid  13 and name  HD#)   (resid  15 and name  HD2)   3.650    1.850    1.850  
assign (resid  13 and name  HD#)   (resid  15 and name  HD1)   3.650    1.850    1.850  
assign (resid  13 and name  HD#)   (resid  15 and name  HB2)   3.650    1.850    1.850  
assign (resid  13 and name  HD#)   (resid  15 and name  HB1)   3.650    1.850    1.850  
assign (resid   6 and name   HB)   (resid  13 and name  HE#)   3.080    1.280    1.280  
assign (resid   6 and name HG2#)   (resid  13 and name  HE#)   2.735    0.935    0.935  
assign (resid  13 and name  HD#)   (resid  15 and name   HA)   3.265    1.465    1.465  
assign (resid  13 and name  HE#)   (resid  15 and name   HA)   3.380    1.580    1.580  
assign (resid  13 and name   HA)   (resid  13 and name  HD#)   2.915    1.115    1.115  
assign (resid   8 and name   HA)   (resid   8 and name  HD#)   2.600    0.800    0.800  
assign (resid   7 and name   HA)   (resid   8 and name  HB2)   3.075    1.275    1.275  
assign (resid   7 and name   HA)   (resid  12 and name  HB1)   3.295    1.495    1.495  
assign (resid   5 and name   HA)   (resid   6 and name HG2#)   3.235    1.435    1.435  
assign (resid  15 and name   HA)   (resid  15 and name  HD2)   3.610    1.810    1.810  
assign (resid  15 and name   HA)   (resid  15 and name  HD1)   3.610    1.810    1.810  
assign (resid  15 and name   HA)   (resid  15 and name  HG2)   2.915    1.115    1.115  
assign (resid   2 and name  HB1)   (resid   2 and name  HD1)   2.830    1.030    1.030  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.565    0.765    0.765  
assign (resid   3 and name  HB#)   (resid  14 and name  HB#)   2.925    1.125    1.125  
assign (resid   3 and name  HB#)   (resid  14 and name  HG#)   3.090    1.290    1.290  
assign (resid   4 and name  HD#)   (resid  15 and name  HB#)   3.125    1.325    1.325  
assign (resid   4 and name  HD#)   (resid  15 and name  HG#)   3.560    1.760    1.760  
assign (resid   4 and name  HE#)   (resid  15 and name  HG#)   3.315    1.515    1.515  
assign (resid   4 and name  HE#)   (resid  15 and name  HD#)   2.985    1.185    1.185  
assign (resid   5 and name   HA)   (resid   5 and name  HD#)   3.275    1.475    1.475  
assign (resid   5 and name  HB#)   (resid   5 and name  HG#)   2.045    0.245    0.245  
assign (resid   5 and name  HB#)   (resid   5 and name  HD#)   2.375    0.575    0.575  
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   3.000    1.200    1.200  
assign (resid   5 and name  HG#)   (resid  13 and name   HN)   3.240    1.440    1.440  
assign (resid   6 and name HG1#)   (resid  15 and name  HD#)   3.300    1.500    1.500  
assign (resid   6 and name HG2#)   (resid  15 and name  HD#)   2.855    1.055    1.055  
assign (resid   8 and name  HB1)   (resid   9 and name  HG#)   3.130    1.330    1.330  
assign (resid   8 and name  HD#)   (resid   9 and name  HG#)   2.850    1.050    1.050  
assign (resid   8 and name  HE#)   (resid   9 and name  HG#)   3.340    1.540    1.540  
assign (resid   9 and name   HA)   (resid   9 and name  HG#)   2.700    0.900    0.900  
assign (resid   9 and name   HA)   (resid   9 and name  HD#)   3.290    1.490    1.490  
assign (resid  11 and name   HA)   (resid  11 and name HG1#)   2.735    0.935    0.935  
assign (resid  11 and name HG2#)   (resid  11 and name HG1#)   2.600    0.800    0.800  
assign (resid  13 and name  HD#)   (resid  15 and name  HB#)   3.215    1.415    1.415  
assign (resid  13 and name  HD#)   (resid  15 and name  HG#)   3.570    1.770    1.770  
assign (resid  13 and name  HD#)   (resid  15 and name  HD#)   3.245    1.445    1.445  
assign (resid  13 and name  HE#)   (resid  15 and name  HB#)   3.290    1.490    1.490  
assign (resid  13 and name  HE#)   (resid  15 and name  HG#)   3.190    1.390    1.390  
assign (resid  13 and name  HE#)   (resid  15 and name  HD#)   3.075    1.275    1.275  
assign (resid  14 and name  HB#)   (resid  15 and name   HN)   2.885    1.085    1.085  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.715    0.915    0.915  
assign (resid  15 and name   HN)   (resid  15 and name  HG#)   2.990    1.190    1.190  
assign (resid  15 and name   HA)   (resid  15 and name  HD#)   3.265    1.465    1.465  
assign (resid  15 and name   HA)   (resid  15 and name  HE#)   3.215    1.415    1.415  
assign (resid  15 and name  HB#)   (resid  15 and name  HE#)   3.300    1.500    1.500  
!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  -80.0   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   20.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  150.0   20.0 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   40.0 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  140.0   30.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0 -120.0   30.0 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   40.0   30.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0   80.0   20.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0   -0.0   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  -90.0   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   30.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0 -130.0   30.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0  147.5   27.5 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
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name CB   ) (resid 16    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   LYS   1          1HT       LYS   1  12.790  -0.073  -4.204
    2    H2   LYS   1          2HT       LYS   1  13.297   1.262  -3.295
    3    H3   LYS   1          3HT       LYS   1  11.670   1.011  -3.646
    4    HA   LYS   1           HA       LYS   1  13.210  -0.919  -2.047
    5    HB2  LYS   1          2HB       LYS   1  11.104   1.063  -1.112
    6    HB3  LYS   1          1HB       LYS   1  11.927  -0.112  -0.116
    7    HG2  LYS   1          2HG       LYS   1  13.178   2.295  -1.427
    8    HG3  LYS   1          1HG       LYS   1  12.739   2.158   0.266
    9    HD2  LYS   1          2HD       LYS   1  14.848   0.577  -1.203
   10    HD3  LYS   1          1HD       LYS   1  15.135   1.871  -0.055
   11    HE2  LYS   1          2HE       LYS   1  13.860  -0.795   0.580
   12    HE3  LYS   1          1HE       LYS   1  15.515  -0.342   0.942
   13    HZ1  LYS   1          1HZ       LYS   1  13.090   0.945   2.130
   14    HZ2  LYS   1          2HZ       LYS   1  14.680   1.377   2.433
   15    HZ3  LYS   1          3HZ       LYS   1  14.142  -0.141   2.878
   16    H    TRP   2           HN       TRP   2  11.339  -2.134  -0.751
   17    HA   TRP   2           HA       TRP   2   9.595  -3.108  -2.806
   18    HB2  TRP   2          2HB       TRP   2  10.790  -4.697  -1.358
   19    HB3  TRP   2          1HB       TRP   2   9.997  -4.010   0.053
   20    HD1  TRP   2          1HD       TRP   2   8.987  -5.816  -3.215
   21    HE1  TRP   2          1HE       TRP   2   6.922  -7.310  -2.679
   22    HE3  TRP   2          3HE       TRP   2   8.262  -4.512   1.649
   23    HZ2  TRP   2          2HZ       TRP   2   5.263  -7.854  -0.505
   24    HZ3  TRP   2          3HZ       TRP   2   6.411  -5.576   2.895
   25    HH2  TRP   2          2HH       TRP   2   4.956  -7.209   1.830
   26    H    CYS   3           HN       CYS   3   7.582  -2.518  -3.025
   27    HA   CYS   3           HA       CYS   3   6.174  -1.228  -0.804
   28    HB2  CYS   3          2HB       CYS   3   6.093  -0.380  -3.695
   29    HB3  CYS   3          1HB       CYS   3   5.231   0.379  -2.368
   30    H    PHE   4           HN       PHE   4   4.152  -2.025  -0.580
   31    HA   PHE   4           HA       PHE   4   3.224  -3.815  -2.692
   32    HB2  PHE   4          2HB       PHE   4   1.833  -4.883  -0.882
   33    HB3  PHE   4          1HB       PHE   4   3.572  -5.151  -0.756
   34    HD1  PHE   4          1HD       PHE   4   4.851  -3.915   0.989
   35    HD2  PHE   4          2HD       PHE   4   0.603  -3.815   0.821
   36    HE1  PHE   4          1HE       PHE   4   4.781  -3.142   3.316
   37    HE2  PHE   4          2HE       PHE   4   0.537  -3.036   3.152
   38    HZ   PHE   4           HZ       PHE   4   2.626  -2.705   4.396
   39    H    ARG   5           HN       ARG   5   0.861  -3.939  -2.914
   40    HA   ARG   5           HA       ARG   5  -0.203  -1.225  -2.705
   41    HB2  ARG   5          2HB       ARG   5  -0.009  -2.228  -4.965
   42    HB3  ARG   5          1HB       ARG   5  -1.111  -3.500  -4.469
   43    HG2  ARG   5          2HG       ARG   5  -2.827  -1.741  -4.024
   44    HG3  ARG   5          1HG       ARG   5  -1.721  -0.565  -4.735
   45    HD2  ARG   5          2HD       ARG   5  -2.930  -2.972  -6.078
   46    HD3  ARG   5          1HD       ARG   5  -3.297  -1.285  -6.405
   47    HE   ARG   5           HE       ARG   5  -0.545  -1.760  -6.776
   48   HH11  ARG   5          1HH1      ARG   5  -3.657  -2.372  -8.330
   49   HH12  ARG   5          2HH1      ARG   5  -2.991  -2.551  -9.887
   50   HH21  ARG   5          1HH2      ARG   5   0.362  -2.033  -8.887
   51   HH22  ARG   5          2HH2      ARG   5  -0.668  -2.328 -10.214
   52    H    VAL   6           HN       VAL   6  -1.864  -0.854  -1.435
   53    HA   VAL   6           HA       VAL   6  -3.374  -3.146  -0.388
   54    HB   VAL   6           HB       VAL   6  -2.968  -0.439   0.929
   55   HG11  VAL   6          1HG1      VAL   6  -3.988  -1.444   2.904
   56   HG12  VAL   6          2HG1      VAL   6  -4.212  -2.953   2.032
   57   HG13  VAL   6          3HG1      VAL   6  -5.088  -1.507   1.525
   58   HG21  VAL   6          1HG2      VAL   6  -1.555  -1.603   2.563
   59   HG22  VAL   6          2HG2      VAL   6  -0.880  -1.686   0.934
   60   HG23  VAL   6          3HG2      VAL   6  -1.701  -3.086   1.620
   61    H    CYS   7           HN       CYS   7  -5.466  -3.141  -1.026
   62    HA   CYS   7           HA       CYS   7  -6.616  -0.597  -1.876
   63    HB2  CYS   7          2HB       CYS   7  -7.315  -3.438  -2.668
   64    HB3  CYS   7          1HB       CYS   7  -8.287  -2.035  -3.096
   65    H    TYR   8           HN       TYR   8  -7.731   0.273  -0.393
   66    HA   TYR   8           HA       TYR   8  -9.182  -1.427   1.522
   67    HB2  TYR   8          2HB       TYR   8  -6.970  -0.361   2.276
   68    HB3  TYR   8          1HB       TYR   8  -7.803   1.174   2.156
   69    HD1  TYR   8          1HD       TYR   8  -9.206   1.932   3.951
   70    HD2  TYR   8          2HD       TYR   8  -7.810  -2.071   3.864
   71    HE1  TYR   8          1HE       TYR   8  -9.985   1.604   6.261
   72    HE2  TYR   8          2HE       TYR   8  -8.581  -2.414   6.150
   73    HH   TYR   8           HH       TYR   8  -9.060  -1.061   8.126
   74    H    ARG   9           HN       ARG   9 -11.272  -1.073   0.952
   75    HA   ARG   9           HA       ARG   9 -13.286  -0.048   0.798
   76    HB2  ARG   9          2HB       ARG   9 -11.819   2.382   1.854
   77    HB3  ARG   9          1HB       ARG   9 -13.564   2.226   1.747
   78    HG2  ARG   9          2HG       ARG   9 -13.545   0.444   3.373
   79    HG3  ARG   9          1HG       ARG   9 -11.781   0.456   3.411
   80    HD2  ARG   9          2HD       ARG   9 -12.642   1.647   5.334
   81    HD3  ARG   9          1HD       ARG   9 -11.844   2.772   4.241
   82    HE   ARG   9           HE       ARG   9 -14.672   2.545   3.818
   83   HH11  ARG   9          1HH1      ARG   9 -12.172   4.276   5.640
   84   HH12  ARG   9          2HH1      ARG   9 -13.161   5.616   5.972
   85   HH21  ARG   9          1HH2      ARG   9 -15.996   4.349   4.259
   86   HH22  ARG   9          2HH2      ARG   9 -15.429   5.660   5.171
   87    H    GLY  10           HN       GLY  10 -11.302   0.034  -1.406
   88    HA2  GLY  10          2HA       GLY  10 -11.835   0.654  -3.634
   89    HA3  GLY  10          1HA       GLY  10 -12.666   2.070  -3.009
   90    H    ILE  11           HN       ILE  11 -10.099   2.154  -1.169
   91    HA   ILE  11           HA       ILE  11  -8.669   3.905  -2.997
   92    HB   ILE  11           HB       ILE  11  -8.316   3.539  -0.006
   93   HG12  ILE  11          2HG1      ILE  11 -10.560   4.418  -0.531
   94   HG13  ILE  11          1HG1      ILE  11  -9.571   5.619   0.282
   95   HG21  ILE  11          1HG2      ILE  11  -7.061   5.633  -0.089
   96   HG22  ILE  11          2HG2      ILE  11  -7.329   5.732  -1.828
   97   HG23  ILE  11          3HG2      ILE  11  -6.336   4.437  -1.170
   98   HD11  ILE  11          1HD1      ILE  11  -9.167   6.712  -1.887
   99   HD12  ILE  11          2HD1      ILE  11 -10.883   6.625  -1.492
  100   HD13  ILE  11          3HD1      ILE  11 -10.193   5.508  -2.669
  101    H    CYS  12           HN       CYS  12  -7.187   2.844  -4.116
  102    HA   CYS  12           HA       CYS  12  -5.598   0.772  -2.824
  103    HB2  CYS  12          2HB       CYS  12  -5.841   1.556  -5.742
  104    HB3  CYS  12          1HB       CYS  12  -4.768   0.305  -5.128
  105    H    TYR  13           HN       TYR  13  -3.723   1.262  -2.098
  106    HA   TYR  13           HA       TYR  13  -2.278   3.459  -3.310
  107    HB2  TYR  13          2HB       TYR  13  -1.591   4.247  -1.042
  108    HB3  TYR  13          1HB       TYR  13  -3.296   4.468  -1.408
  109    HD1  TYR  13          1HD       TYR  13  -0.881   2.576   0.638
  110    HD2  TYR  13          2HD       TYR  13  -4.991   3.304  -0.182
  111    HE1  TYR  13          1HE       TYR  13  -1.500   1.468   2.747
  112    HE2  TYR  13          2HE       TYR  13  -5.625   2.208   1.891
  113    HH   TYR  13           HH       TYR  13  -4.699   0.566   3.465
  114    H    ARG  14           HN       ARG  14  -0.083   3.362  -3.044
  115    HA   ARG  14           HA       ARG  14   0.946   0.696  -2.552
  116    HB2  ARG  14          2HB       ARG  14   3.068   1.578  -3.463
  117    HB3  ARG  14          1HB       ARG  14   1.737   1.912  -4.564
  118    HG2  ARG  14          2HG       ARG  14   1.616   4.203  -3.706
  119    HG3  ARG  14          1HG       ARG  14   2.957   3.858  -2.625
  120    HD2  ARG  14          2HD       ARG  14   4.378   3.416  -4.593
  121    HD3  ARG  14          1HD       ARG  14   3.021   3.857  -5.640
  122    HE   ARG  14           HE       ARG  14   3.441   5.851  -3.743
  123   HH11  ARG  14          1HH1      ARG  14   4.861   4.657  -6.766
  124   HH12  ARG  14          2HH1      ARG  14   5.681   6.105  -7.116
  125   HH21  ARG  14          1HH2      ARG  14   4.569   7.830  -4.232
  126   HH22  ARG  14          2HH2      ARG  14   5.513   7.957  -5.644
  127    H    LYS  15           HN       LYS  15   2.089   0.183  -0.782
  128    HA   LYS  15           HA       LYS  15   2.739   2.354   1.071
  129    HB2  LYS  15          2HB       LYS  15   0.836   0.874   1.803
  130    HB3  LYS  15          1HB       LYS  15   1.956  -0.479   1.795
  131    HG2  LYS  15          2HG       LYS  15   3.275   0.562   3.534
  132    HG3  LYS  15          1HG       LYS  15   2.230   1.984   3.507
  133    HD2  LYS  15          2HD       LYS  15   0.323   0.552   4.136
  134    HD3  LYS  15          1HD       LYS  15   1.418  -0.824   4.255
  135    HE2  LYS  15          2HE       LYS  15   2.691   0.352   5.991
  136    HE3  LYS  15          1HE       LYS  15   1.575   1.712   5.874
  137    HZ1  LYS  15          1HZ       LYS  15  -0.216   0.225   6.602
  138    HZ2  LYS  15          2HZ       LYS  15   1.040   0.278   7.727
  139    HZ3  LYS  15          3HZ       LYS  15   0.892  -1.044   6.714
  140    H    CYS  16           HN       CYS  16   4.821   2.554   1.291
  141    HA   CYS  16           HA       CYS  16   6.546   0.377   0.398
  142    HB2  CYS  16          2HB       CYS  16   7.073   3.317   0.748
  143    HB3  CYS  16          1HB       CYS  16   8.267   2.133   0.224
  144    H    ARG  17           HN       ARG  17   8.245  -0.350   1.606
  145    HA   ARG  17           HA       ARG  17   8.227   0.484   4.404
  146    HB2  ARG  17          2HB       ARG  17   9.190  -2.058   3.105
  147    HB3  ARG  17          1HB       ARG  17   9.507  -1.651   4.783
  148    HG2  ARG  17          2HG       ARG  17   7.115  -1.610   5.229
  149    HG3  ARG  17          1HG       ARG  17   6.794  -2.023   3.537
  150    HD2  ARG  17          2HD       ARG  17   7.958  -4.104   3.792
  151    HD3  ARG  17          1HD       ARG  17   8.430  -3.686   5.434
  152    HE   ARG  17           HE       ARG  17   5.687  -3.576   5.376
  153   HH11  ARG  17          1HH1      ARG  17   8.174  -6.005   4.772
  154   HH12  ARG  17          2HH1      ARG  17   7.230  -7.316   5.333
  155   HH21  ARG  17          1HH2      ARG  17   4.386  -5.380   6.159
  156   HH22  ARG  17          2HH2      ARG  17   5.053  -6.945   6.164
  157    HN1  NH2  18          1H        ARG  17   9.453   2.276   4.134
  158    HN2  NH2  18          2H        ARG  17  11.130   2.231   3.732
  Start of MODEL    2
    1    H1   LYS   1          1HT       LYS   1  12.703   1.449  -4.220
    2    H2   LYS   1          2HT       LYS   1  11.034   1.170  -4.332
    3    H3   LYS   1          3HT       LYS   1  12.105   0.033  -4.930
    4    HA   LYS   1           HA       LYS   1  12.919  -0.421  -2.736
    5    HB2  LYS   1          2HB       LYS   1  10.795   1.594  -1.972
    6    HB3  LYS   1          1HB       LYS   1  11.519   0.480  -0.825
    7    HG2  LYS   1          2HG       LYS   1  13.724   1.470  -1.285
    8    HG3  LYS   1          1HG       LYS   1  12.968   2.599  -2.405
    9    HD2  LYS   1          2HD       LYS   1  13.379   3.645  -0.249
   10    HD3  LYS   1          1HD       LYS   1  11.644   3.535  -0.552
   11    HE2  LYS   1          2HE       LYS   1  11.533   1.577   0.919
   12    HE3  LYS   1          1HE       LYS   1  13.274   1.669   1.174
   13    HZ1  LYS   1          1HZ       LYS   1  11.362   3.816   1.903
   14    HZ2  LYS   1          2HZ       LYS   1  13.004   3.735   2.320
   15    HZ3  LYS   1          3HZ       LYS   1  11.915   2.633   2.964
   16    H    TRP   2           HN       TRP   2  11.461  -1.680  -1.073
   17    HA   TRP   2           HA       TRP   2   9.676  -3.212  -2.715
   18    HB2  TRP   2          2HB       TRP   2  11.231  -4.311  -1.080
   19    HB3  TRP   2          1HB       TRP   2  10.292  -3.580   0.223
   20    HD1  TRP   2          1HD       TRP   2   9.877  -6.120  -2.644
   21    HE1  TRP   2          1HE       TRP   2   8.005  -7.768  -2.015
   22    HE3  TRP   2          3HE       TRP   2   8.315  -3.943   1.699
   23    HZ2  TRP   2          2HZ       TRP   2   6.116  -8.099   0.059
   24    HZ3  TRP   2          3HZ       TRP   2   6.459  -4.995   2.949
   25    HH2  TRP   2          2HH       TRP   2   5.394  -7.028   2.133
   26    H    CYS   3           HN       CYS   3   7.698  -2.631  -2.982
   27    HA   CYS   3           HA       CYS   3   6.315  -1.265  -0.818
   28    HB2  CYS   3          2HB       CYS   3   6.184  -0.671  -3.775
   29    HB3  CYS   3          1HB       CYS   3   5.207   0.095  -2.530
   30    H    PHE   4           HN       PHE   4   4.048  -1.571  -0.840
   31    HA   PHE   4           HA       PHE   4   3.053  -3.686  -2.524
   32    HB2  PHE   4          2HB       PHE   4   1.874  -4.669  -0.556
   33    HB3  PHE   4          1HB       PHE   4   3.627  -4.885  -0.558
   34    HD1  PHE   4          1HD       PHE   4   5.010  -3.489   0.994
   35    HD2  PHE   4          2HD       PHE   4   0.768  -3.627   1.211
   36    HE1  PHE   4          1HE       PHE   4   5.105  -2.651   3.303
   37    HE2  PHE   4          2HE       PHE   4   0.861  -2.787   3.504
   38    HZ   PHE   4           HZ       PHE   4   3.040  -2.301   4.559
   39    H    ARG   5           HN       ARG   5   0.830  -3.622  -2.817
   40    HA   ARG   5           HA       ARG   5  -0.202  -0.964  -2.257
   41    HB2  ARG   5          2HB       ARG   5   0.174  -1.526  -4.637
   42    HB3  ARG   5          1HB       ARG   5  -0.954  -2.857  -4.477
   43    HG2  ARG   5          2HG       ARG   5  -2.767  -1.342  -4.045
   44    HG3  ARG   5          1HG       ARG   5  -1.660   0.032  -4.042
   45    HD2  ARG   5          2HD       ARG   5  -2.176  -1.788  -6.389
   46    HD3  ARG   5          1HD       ARG   5  -2.883  -0.187  -6.162
   47    HE   ARG   5           HE       ARG   5  -0.017  -0.243  -6.088
   48   HH11  ARG   5          1HH1      ARG   5  -2.831  -0.018  -8.229
   49   HH12  ARG   5          2HH1      ARG   5  -2.013   0.819  -9.457
   50   HH21  ARG   5          1HH2      ARG   5   1.131   0.844  -7.814
   51   HH22  ARG   5          2HH2      ARG   5   0.302   1.311  -9.216
   52    H    VAL   6           HN       VAL   6  -1.946  -0.748  -1.109
   53    HA   VAL   6           HA       VAL   6  -3.431  -3.161  -0.347
   54    HB   VAL   6           HB       VAL   6  -3.080  -0.556   1.187
   55   HG11  VAL   6          1HG1      VAL   6  -4.226  -1.676   3.059
   56   HG12  VAL   6          2HG1      VAL   6  -4.496  -3.088   2.051
   57   HG13  VAL   6          3HG1      VAL   6  -5.272  -1.562   1.647
   58   HG21  VAL   6          1HG2      VAL   6  -1.811  -1.918   2.795
   59   HG22  VAL   6          2HG2      VAL   6  -1.046  -1.847   1.205
   60   HG23  VAL   6          3HG2      VAL   6  -1.926  -3.292   1.694
   61    H    CYS   7           HN       CYS   7  -5.592  -3.117  -0.780
   62    HA   CYS   7           HA       CYS   7  -6.689  -0.608  -1.781
   63    HB2  CYS   7          2HB       CYS   7  -7.581  -3.464  -2.273
   64    HB3  CYS   7          1HB       CYS   7  -8.433  -2.033  -2.844
   65    H    TYR   8           HN       TYR   8  -7.808   0.392  -0.431
   66    HA   TYR   8           HA       TYR   8  -9.207  -1.094   1.663
   67    HB2  TYR   8          2HB       TYR   8  -7.061   0.112   2.316
   68    HB3  TYR   8          1HB       TYR   8  -7.911   1.602   1.935
   69    HD1  TYR   8          1HD       TYR   8  -7.883  -1.335   4.143
   70    HD2  TYR   8          2HD       TYR   8  -9.410   2.575   3.501
   71    HE1  TYR   8          1HE       TYR   8  -8.712  -1.317   6.411
   72    HE2  TYR   8          2HE       TYR   8 -10.271   2.621   5.793
   73    HH   TYR   8           HH       TYR   8  -9.350   0.315   8.121
   74    H    ARG   9           HN       ARG   9 -11.223  -0.920   0.972
   75    HA   ARG   9           HA       ARG   9 -13.279  -0.088   0.484
   76    HB2  ARG   9          2HB       ARG   9 -12.121   2.458   1.647
   77    HB3  ARG   9          1HB       ARG   9 -13.830   2.183   1.336
   78    HG2  ARG   9          2HG       ARG   9 -12.116   0.609   3.259
   79    HG3  ARG   9          1HG       ARG   9 -13.288   1.852   3.697
   80    HD2  ARG   9          2HD       ARG   9 -15.091   0.520   2.780
   81    HD3  ARG   9          1HD       ARG   9 -13.953  -0.698   2.219
   82    HE   ARG   9           HE       ARG   9 -13.469  -0.627   4.835
   83   HH11  ARG   9          1HH1      ARG   9 -16.469  -0.906   2.994
   84   HH12  ARG   9          2HH1      ARG   9 -17.283  -1.854   4.136
   85   HH21  ARG   9          1HH2      ARG   9 -14.562  -1.915   6.438
   86   HH22  ARG   9          2HH2      ARG   9 -16.163  -2.434   6.182
   87    H    GLY  10           HN       GLY  10 -11.326  -0.111  -1.540
   88    HA2  GLY  10          2HA       GLY  10 -11.779   0.331  -3.824
   89    HA3  GLY  10          1HA       GLY  10 -12.592   1.816  -3.352
   90    H    ILE  11           HN       ILE  11 -10.137   2.138  -1.468
   91    HA   ILE  11           HA       ILE  11  -8.644   3.678  -3.427
   92    HB   ILE  11           HB       ILE  11  -8.306   3.568  -0.420
   93   HG12  ILE  11          2HG1      ILE  11 -10.548   4.383  -0.967
   94   HG13  ILE  11          1HG1      ILE  11  -9.551   5.694  -0.350
   95   HG21  ILE  11          1HG2      ILE  11  -7.334   5.608  -2.418
   96   HG22  ILE  11          2HG2      ILE  11  -6.343   4.364  -1.680
   97   HG23  ILE  11          3HG2      ILE  11  -7.045   5.636  -0.675
   98   HD11  ILE  11          1HD1      ILE  11  -9.218   6.493  -2.640
   99   HD12  ILE  11          2HD1      ILE  11 -10.921   6.442  -2.197
  100   HD13  ILE  11          3HD1      ILE  11 -10.245   5.190  -3.240
  101    H    CYS  12           HN       CYS  12  -7.098   2.529  -4.434
  102    HA   CYS  12           HA       CYS  12  -5.586   0.604  -2.851
  103    HB2  CYS  12          2HB       CYS  12  -5.606   1.023  -5.849
  104    HB3  CYS  12          1HB       CYS  12  -4.705  -0.204  -4.957
  105    H    TYR  13           HN       TYR  13  -3.919   1.338  -1.925
  106    HA   TYR  13           HA       TYR  13  -2.401   3.472  -3.225
  107    HB2  TYR  13          2HB       TYR  13  -1.979   4.450  -0.971
  108    HB3  TYR  13          1HB       TYR  13  -3.664   4.495  -1.472
  109    HD1  TYR  13          1HD       TYR  13  -1.266   2.759   0.727
  110    HD2  TYR  13          2HD       TYR  13  -5.357   3.467  -0.147
  111    HE1  TYR  13          1HE       TYR  13  -1.876   1.751   2.832
  112    HE2  TYR  13          2HE       TYR  13  -5.999   2.438   1.969
  113    HH   TYR  13           HH       TYR  13  -5.121   0.922   3.637
  114    H    ARG  14           HN       ARG  14  -0.184   3.625  -2.577
  115    HA   ARG  14           HA       ARG  14   0.935   0.961  -2.248
  116    HB2  ARG  14          2HB       ARG  14   1.547   2.120  -4.273
  117    HB3  ARG  14          1HB       ARG  14   2.076   3.516  -3.358
  118    HG2  ARG  14          2HG       ARG  14   3.899   2.224  -2.400
  119    HG3  ARG  14          1HG       ARG  14   3.350   0.797  -3.281
  120    HD2  ARG  14          2HD       ARG  14   5.228   1.901  -4.412
  121    HD3  ARG  14          1HD       ARG  14   3.770   1.908  -5.398
  122    HE   ARG  14           HE       ARG  14   3.883   4.285  -3.929
  123   HH11  ARG  14          1HH1      ARG  14   5.616   2.691  -6.565
  124   HH12  ARG  14          2HH1      ARG  14   6.036   4.121  -7.379
  125   HH21  ARG  14          1HH2      ARG  14   4.500   6.300  -5.023
  126   HH22  ARG  14          2HH2      ARG  14   5.412   6.228  -6.451
  127    H    LYS  15           HN       LYS  15   1.859   0.407  -0.436
  128    HA   LYS  15           HA       LYS  15   2.879   2.455   1.390
  129    HB2  LYS  15          2HB       LYS  15   2.044  -0.411   1.893
  130    HB3  LYS  15          1HB       LYS  15   2.783   0.632   3.097
  131    HG2  LYS  15          2HG       LYS  15   0.888   2.102   3.072
  132    HG3  LYS  15          1HG       LYS  15   0.177   1.224   1.719
  133    HD2  LYS  15          2HD       LYS  15  -0.898   0.575   3.848
  134    HD3  LYS  15          1HD       LYS  15  -0.028  -0.770   3.122
  135    HE2  LYS  15          2HE       LYS  15   1.800  -0.409   4.666
  136    HE3  LYS  15          1HE       LYS  15   0.958   0.982   5.356
  137    HZ1  LYS  15          1HZ       LYS  15  -0.798  -0.454   6.083
  138    HZ2  LYS  15          2HZ       LYS  15   0.656  -1.046   6.669
  139    HZ3  LYS  15          3HZ       LYS  15  -0.093  -1.800   5.359
  140    H    CYS  16           HN       CYS  16   5.094   2.141   2.104
  141    HA   CYS  16           HA       CYS  16   6.524   0.006   0.688
  142    HB2  CYS  16          2HB       CYS  16   7.388   2.892   0.856
  143    HB3  CYS  16          1HB       CYS  16   8.341   1.586   0.168
  144    H    ARG  17           HN       ARG  17   8.320  -0.807   1.720
  145    HA   ARG  17           HA       ARG  17   8.741   0.194   4.446
  146    HB2  ARG  17          2HB       ARG  17   9.419  -2.538   3.320
  147    HB3  ARG  17          1HB       ARG  17   9.877  -1.989   4.921
  148    HG2  ARG  17          2HG       ARG  17   7.398  -1.690   5.365
  149    HG3  ARG  17          1HG       ARG  17   7.134  -2.587   3.867
  150    HD2  ARG  17          2HD       ARG  17   7.066  -4.115   5.776
  151    HD3  ARG  17          1HD       ARG  17   8.467  -4.446   4.755
  152    HE   ARG  17           HE       ARG  17   9.184  -2.625   6.765
  153   HH11  ARG  17          1HH1      ARG  17   8.394  -6.071   6.509
  154   HH12  ARG  17          2HH1      ARG  17   9.358  -6.550   7.812
  155   HH21  ARG  17          1HH2      ARG  17  10.536  -3.257   8.513
  156   HH22  ARG  17          2HH2      ARG  17  10.665  -4.889   8.981
  157    HN1  NH2  18          1H        ARG  17  10.871  -1.684   2.357
  158    HN2  NH2  18          2H        ARG  17  12.155  -0.538   2.369
  Start of MODEL    3
    1    H1   LYS   1          1HT       LYS   1  12.465   0.064  -4.321
    2    H2   LYS   1          2HT       LYS   1  13.087   1.497  -3.726
    3    H3   LYS   1          3HT       LYS   1  11.495   1.423  -4.335
    4    HA   LYS   1           HA       LYS   1  12.464   0.024  -1.944
    5    HB2  LYS   1          2HB       LYS   1  10.484   2.304  -2.232
    6    HB3  LYS   1          1HB       LYS   1  10.875   1.483  -0.735
    7    HG2  LYS   1          2HG       LYS   1  13.186   2.332  -0.909
    8    HG3  LYS   1          1HG       LYS   1  12.727   3.204  -2.375
    9    HD2  LYS   1          2HD       LYS   1  11.048   4.454  -1.094
   10    HD3  LYS   1          1HD       LYS   1  11.520   3.586   0.365
   11    HE2  LYS   1          2HE       LYS   1  12.579   5.754   0.367
   12    HE3  LYS   1          1HE       LYS   1  13.805   4.512   0.126
   13    HZ1  LYS   1          1HZ       LYS   1  12.633   6.233  -1.995
   14    HZ2  LYS   1          2HZ       LYS   1  13.786   5.035  -2.260
   15    HZ3  LYS   1          3HZ       LYS   1  14.166   6.375  -1.335
   16    H    TRP   2           HN       TRP   2  11.239  -1.672  -1.441
   17    HA   TRP   2           HA       TRP   2   9.157  -2.570  -3.145
   18    HB2  TRP   2          2HB       TRP   2  10.603  -4.151  -1.975
   19    HB3  TRP   2          1HB       TRP   2  10.009  -3.561  -0.425
   20    HD1  TRP   2          1HD       TRP   2   8.105  -4.824   0.545
   21    HE1  TRP   2          1HE       TRP   2   6.330  -6.541  -0.299
   22    HE3  TRP   2          3HE       TRP   2   9.191  -4.703  -4.405
   23    HZ2  TRP   2          2HZ       TRP   2   5.516  -7.638  -2.760
   24    HZ3  TRP   2          3HZ       TRP   2   7.871  -6.089  -5.958
   25    HH2  TRP   2          2HH       TRP   2   6.075  -7.523  -5.145
   26    H    CYS   3           HN       CYS   3   7.069  -2.375  -3.046
   27    HA   CYS   3           HA       CYS   3   5.835  -1.220  -0.662
   28    HB2  CYS   3          2HB       CYS   3   5.138  -0.334  -3.465
   29    HB3  CYS   3          1HB       CYS   3   4.653   0.349  -1.912
   30    H    PHE   4           HN       PHE   4   3.992  -2.304  -0.187
   31    HA   PHE   4           HA       PHE   4   2.968  -4.096  -2.233
   32    HB2  PHE   4          2HB       PHE   4   1.604  -5.059  -0.350
   33    HB3  PHE   4          1HB       PHE   4   3.334  -5.410  -0.281
   34    HD1  PHE   4          1HD       PHE   4   4.714  -4.125   1.401
   35    HD2  PHE   4          2HD       PHE   4   0.461  -3.985   1.394
   36    HE1  PHE   4          1HE       PHE   4   4.742  -3.305   3.709
   37    HE2  PHE   4          2HE       PHE   4   0.482  -3.165   3.706
   38    HZ   PHE   4           HZ       PHE   4   2.620  -2.822   4.872
   39    H    ARG   5           HN       ARG   5   0.848  -4.097  -2.810
   40    HA   ARG   5           HA       ARG   5  -0.343  -1.487  -2.518
   41    HB2  ARG   5          2HB       ARG   5  -0.032  -2.225  -4.781
   42    HB3  ARG   5          1HB       ARG   5  -0.842  -3.745  -4.456
   43    HG2  ARG   5          2HG       ARG   5  -2.954  -2.536  -4.123
   44    HG3  ARG   5          1HG       ARG   5  -2.128  -1.020  -4.497
   45    HD2  ARG   5          2HD       ARG   5  -1.560  -1.863  -6.711
   46    HD3  ARG   5          1HD       ARG   5  -2.326  -3.397  -6.334
   47    HE   ARG   5           HE       ARG   5  -4.429  -2.235  -6.210
   48   HH11  ARG   5          1HH1      ARG   5  -1.797  -0.458  -7.829
   49   HH12  ARG   5          2HH1      ARG   5  -2.838   0.380  -8.882
   50   HH21  ARG   5          1HH2      ARG   5  -5.837  -1.014  -7.694
   51   HH22  ARG   5          2HH2      ARG   5  -5.122   0.057  -8.812
   52    H    VAL   6           HN       VAL   6  -1.992  -1.161  -1.245
   53    HA   VAL   6           HA       VAL   6  -3.669  -3.448  -0.475
   54    HB   VAL   6           HB       VAL   6  -3.196  -0.892   1.111
   55   HG11  VAL   6          1HG1      VAL   6  -5.390  -1.853   1.538
   56   HG12  VAL   6          2HG1      VAL   6  -4.362  -2.042   2.951
   57   HG13  VAL   6          3HG1      VAL   6  -4.659  -3.416   1.888
   58   HG21  VAL   6          1HG2      VAL   6  -1.166  -2.228   1.118
   59   HG22  VAL   6          2HG2      VAL   6  -2.080  -3.652   1.614
   60   HG23  VAL   6          3HG2      VAL   6  -1.930  -2.276   2.708
   61    H    CYS   7           HN       CYS   7  -5.793  -3.193  -1.023
   62    HA   CYS   7           HA       CYS   7  -6.581  -0.518  -1.893
   63    HB2  CYS   7          2HB       CYS   7  -7.658  -3.217  -2.750
   64    HB3  CYS   7          1HB       CYS   7  -8.388  -1.673  -3.191
   65    H    TYR   8           HN       TYR   8  -7.591   0.460  -0.419
   66    HA   TYR   8           HA       TYR   8  -9.238  -1.099   1.439
   67    HB2  TYR   8          2HB       TYR   8  -7.052  -0.070   2.271
   68    HB3  TYR   8          1HB       TYR   8  -7.812   1.489   2.015
   69    HD1  TYR   8          1HD       TYR   8  -9.463   2.329   3.540
   70    HD2  TYR   8          2HD       TYR   8  -7.915  -1.596   3.997
   71    HE1  TYR   8          1HE       TYR   8 -10.471   2.199   5.770
   72    HE2  TYR   8          2HE       TYR   8  -8.903  -1.756   6.203
   73    HH   TYR   8           HH       TYR   8  -9.689  -0.195   8.011
   74    H    ARG   9           HN       ARG   9 -11.251  -0.734   0.909
   75    HA   ARG   9           HA       ARG   9 -13.247   0.244   0.492
   76    HB2  ARG   9          2HB       ARG   9 -11.847   2.800   1.304
   77    HB3  ARG   9          1HB       ARG   9 -13.580   2.617   1.109
   78    HG2  ARG   9          2HG       ARG   9 -13.614   0.998   2.948
   79    HG3  ARG   9          1HG       ARG   9 -11.870   1.184   3.132
   80    HD2  ARG   9          2HD       ARG   9 -13.068   2.549   4.762
   81    HD3  ARG   9          1HD       ARG   9 -12.167   3.553   3.626
   82    HE   ARG   9           HE       ARG   9 -14.942   3.017   3.015
   83   HH11  ARG   9          1HH1      ARG   9 -12.547   5.375   4.199
   84   HH12  ARG   9          2HH1      ARG   9 -13.624   6.696   4.073
   85   HH21  ARG   9          1HH2      ARG   9 -16.369   4.879   2.878
   86   HH22  ARG   9          2HH2      ARG   9 -15.794   6.417   3.354
   87    H    GLY  10           HN       GLY  10 -11.124   0.060  -1.546
   88    HA2  GLY  10          2HA       GLY  10 -11.448   0.393  -3.869
   89    HA3  GLY  10          1HA       GLY  10 -12.348   1.862  -3.503
   90    H    ILE  11           HN       ILE  11 -10.020   2.321  -1.465
   91    HA   ILE  11           HA       ILE  11  -8.470   3.901  -3.327
   92    HB   ILE  11           HB       ILE  11  -8.298   3.709  -0.304
   93   HG12  ILE  11          2HG1      ILE  11 -10.460   4.606  -1.008
   94   HG13  ILE  11          1HG1      ILE  11  -9.480   5.868  -0.274
   95   HG21  ILE  11          1HG2      ILE  11  -7.009   5.808  -0.437
   96   HG22  ILE  11          2HG2      ILE  11  -7.058   5.714  -2.197
   97   HG23  ILE  11          3HG2      ILE  11  -6.203   4.479  -1.271
   98   HD11  ILE  11          1HD1      ILE  11 -10.644   6.718  -2.203
   99   HD12  ILE  11          2HD1      ILE  11  -9.967   5.447  -3.214
  100   HD13  ILE  11          3HD1      ILE  11  -8.910   6.682  -2.529
  101    H    CYS  12           HN       CYS  12  -6.889   2.891  -4.282
  102    HA   CYS  12           HA       CYS  12  -5.472   0.792  -2.835
  103    HB2  CYS  12          2HB       CYS  12  -5.393   1.527  -5.764
  104    HB3  CYS  12          1HB       CYS  12  -4.531   0.186  -5.024
  105    H    TYR  13           HN       TYR  13  -3.609   1.136  -2.015
  106    HA   TYR  13           HA       TYR  13  -1.929   3.275  -3.035
  107    HB2  TYR  13          2HB       TYR  13  -1.475   4.040  -0.719
  108    HB3  TYR  13          1HB       TYR  13  -3.157   4.252  -1.184
  109    HD1  TYR  13          1HD       TYR  13  -0.881   2.623   1.112
  110    HD2  TYR  13          2HD       TYR  13  -4.905   2.750  -0.243
  111    HE1  TYR  13          1HE       TYR  13  -1.584   1.428   3.105
  112    HE2  TYR  13          2HE       TYR  13  -5.628   1.554   1.752
  113    HH   TYR  13           HH       TYR  13  -4.612  -0.004   3.441
  114    H    ARG  14           HN       ARG  14   0.268   3.080  -2.023
  115    HA   ARG  14           HA       ARG  14   0.928   0.240  -1.705
  116    HB2  ARG  14          2HB       ARG  14   2.515   2.413  -3.079
  117    HB3  ARG  14          1HB       ARG  14   3.047   0.767  -2.813
  118    HG2  ARG  14          2HG       ARG  14   1.382  -0.095  -4.277
  119    HG3  ARG  14          1HG       ARG  14   0.650   1.504  -4.447
  120    HD2  ARG  14          2HD       ARG  14   3.467   0.808  -5.256
  121    HD3  ARG  14          1HD       ARG  14   2.092   0.877  -6.357
  122    HE   ARG  14           HE       ARG  14   2.284   3.294  -4.944
  123   HH11  ARG  14          1HH1      ARG  14   3.989   1.537  -7.495
  124   HH12  ARG  14          2HH1      ARG  14   4.545   2.931  -8.284
  125   HH21  ARG  14          1HH2      ARG  14   3.010   5.219  -6.048
  126   HH22  ARG  14          2HH2      ARG  14   3.969   5.094  -7.435
  127    H    LYS  15           HN       LYS  15   1.707  -0.136   0.265
  128    HA   LYS  15           HA       LYS  15   2.889   2.053   1.752
  129    HB2  LYS  15          2HB       LYS  15   2.316  -0.801   2.546
  130    HB3  LYS  15          1HB       LYS  15   3.163   0.327   3.586
  131    HG2  LYS  15          2HG       LYS  15   1.137   1.804   3.483
  132    HG3  LYS  15          1HG       LYS  15   0.318   0.488   2.633
  133    HD2  LYS  15          2HD       LYS  15   0.671  -0.997   4.504
  134    HD3  LYS  15          1HD       LYS  15   1.605   0.232   5.347
  135    HE2  LYS  15          2HE       LYS  15  -0.453   1.667   5.378
  136    HE3  LYS  15          1HE       LYS  15  -1.331   0.308   4.672
  137    HZ1  LYS  15          1HZ       LYS  15  -1.594   0.361   7.067
  138    HZ2  LYS  15          2HZ       LYS  15   0.094   0.225   7.260
  139    HZ3  LYS  15          3HZ       LYS  15  -0.761  -1.017   6.563
  140    H    CYS  16           HN       CYS  16   4.919   2.500   1.568
  141    HA   CYS  16           HA       CYS  16   6.660   0.503   0.357
  142    HB2  CYS  16          2HB       CYS  16   6.945   3.487   0.582
  143    HB3  CYS  16          1HB       CYS  16   8.104   2.415  -0.193
  144    H    ARG  17           HN       ARG  17   8.327  -0.348   1.353
  145    HA   ARG  17           HA       ARG  17   9.374   0.930   3.763
  146    HB2  ARG  17          2HB       ARG  17   8.742  -2.008   3.418
  147    HB3  ARG  17          1HB       ARG  17   9.716  -1.362   4.724
  148    HG2  ARG  17          2HG       ARG  17   7.775  -0.063   5.505
  149    HG3  ARG  17          1HG       ARG  17   6.805  -0.769   4.209
  150    HD2  ARG  17          2HD       ARG  17   6.503  -1.924   6.371
  151    HD3  ARG  17          1HD       ARG  17   7.139  -2.991   5.118
  152    HE   ARG  17           HE       ARG  17   9.116  -1.709   6.755
  153   HH11  ARG  17          1HH1      ARG  17   7.030  -4.555   6.527
  154   HH12  ARG  17          2HH1      ARG  17   8.080  -5.589   7.383
  155   HH21  ARG  17          1HH2      ARG  17  10.553  -3.081   7.939
  156   HH22  ARG  17          2HH2      ARG  17  10.160  -4.698   8.238
  157    HN1  NH2  18          1H        ARG  17  11.043   1.691   2.492
  158    HN2  NH2  18          2H        ARG  17  12.262   0.671   1.814
  Start of MODEL    4
    1    H1   LYS   1          1HT       LYS   1  12.007   0.761  -3.519
    2    H2   LYS   1          2HT       LYS   1  12.912  -0.617  -3.724
    3    H3   LYS   1          3HT       LYS   1  13.621   0.700  -2.998
    4    HA   LYS   1           HA       LYS   1  13.065  -1.010  -1.421
    5    HB2  LYS   1          2HB       LYS   1  11.164   1.355  -1.255
    6    HB3  LYS   1          1HB       LYS   1  11.323   0.177   0.028
    7    HG2  LYS   1          2HG       LYS   1  12.617   2.017   0.702
    8    HG3  LYS   1          1HG       LYS   1  13.783   0.831   0.131
    9    HD2  LYS   1          2HD       LYS   1  13.944   2.036  -1.998
   10    HD3  LYS   1          1HD       LYS   1  12.775   3.225  -1.417
   11    HE2  LYS   1          2HE       LYS   1  14.346   3.757   0.436
   12    HE3  LYS   1          1HE       LYS   1  15.502   2.639  -0.279
   13    HZ1  LYS   1          1HZ       LYS   1  14.446   5.095  -1.578
   14    HZ2  LYS   1          2HZ       LYS   1  15.575   4.035  -2.258
   15    HZ3  LYS   1          3HZ       LYS   1  15.966   4.915  -0.891
   16    H    TRP   2           HN       TRP   2  11.145  -2.093  -0.288
   17    HA   TRP   2           HA       TRP   2   9.581  -3.325  -2.360
   18    HB2  TRP   2          2HB       TRP   2   9.734  -3.852   0.607
   19    HB3  TRP   2          1HB       TRP   2   8.669  -4.736  -0.475
   20    HD1  TRP   2          1HD       TRP   2  10.168  -5.886  -2.660
   21    HE1  TRP   2          1HE       TRP   2  12.316  -7.302  -2.427
   22    HE3  TRP   2          3HE       TRP   2  11.666  -4.332   1.973
   23    HZ2  TRP   2          2HZ       TRP   2  14.365  -7.692  -0.527
   24    HZ3  TRP   2          3HZ       TRP   2  13.722  -5.274   2.924
   25    HH2  TRP   2          2HH       TRP   2  15.040  -6.922   1.698
   26    H    CYS   3           HN       CYS   3   7.756  -2.581  -3.006
   27    HA   CYS   3           HA       CYS   3   6.108  -1.024  -1.144
   28    HB2  CYS   3          2HB       CYS   3   6.267  -0.781  -4.158
   29    HB3  CYS   3          1HB       CYS   3   5.219   0.163  -3.104
   30    H    PHE   4           HN       PHE   4   4.030  -1.588  -0.907
   31    HA   PHE   4           HA       PHE   4   3.013  -3.678  -2.640
   32    HB2  PHE   4          2HB       PHE   4   1.801  -4.571  -0.638
   33    HB3  PHE   4          1HB       PHE   4   3.541  -4.900  -0.705
   34    HD1  PHE   4          1HD       PHE   4   5.050  -3.668   0.850
   35    HD2  PHE   4          2HD       PHE   4   0.817  -3.366   1.136
   36    HE1  PHE   4          1HE       PHE   4   5.276  -2.796   3.132
   37    HE2  PHE   4          2HE       PHE   4   1.031  -2.483   3.424
   38    HZ   PHE   4           HZ       PHE   4   3.263  -2.195   4.428
   39    H    ARG   5           HN       ARG   5   0.887  -3.637  -3.092
   40    HA   ARG   5           HA       ARG   5  -0.268  -1.019  -2.737
   41    HB2  ARG   5          2HB       ARG   5  -0.199  -1.706  -5.017
   42    HB3  ARG   5          1HB       ARG   5  -0.897  -3.271  -4.640
   43    HG2  ARG   5          2HG       ARG   5  -3.040  -2.198  -4.140
   44    HG3  ARG   5          1HG       ARG   5  -2.332  -0.620  -4.482
   45    HD2  ARG   5          2HD       ARG   5  -2.028  -1.146  -6.772
   46    HD3  ARG   5          1HD       ARG   5  -2.368  -2.853  -6.507
   47    HE   ARG   5           HE       ARG   5  -4.666  -1.830  -5.769
   48   HH11  ARG   5          1HH1      ARG   5  -2.716  -0.936  -8.578
   49   HH12  ARG   5          2HH1      ARG   5  -4.042  -0.522  -9.558
   50   HH21  ARG   5          1HH2      ARG   5  -6.502  -1.318  -7.136
   51   HH22  ARG   5          2HH2      ARG   5  -6.263  -0.754  -8.715
   52    H    VAL   6           HN       VAL   6  -1.940  -0.632  -1.487
   53    HA   VAL   6           HA       VAL   6  -3.417  -2.932  -0.447
   54    HB   VAL   6           HB       VAL   6  -2.851  -0.327   1.013
   55   HG11  VAL   6          1HG1      VAL   6  -4.217  -2.842   1.969
   56   HG12  VAL   6          2HG1      VAL   6  -4.997  -1.301   1.624
   57   HG13  VAL   6          3HG1      VAL   6  -3.856  -1.430   2.962
   58   HG21  VAL   6          1HG2      VAL   6  -0.824  -1.676   0.885
   59   HG22  VAL   6          2HG2      VAL   6  -1.697  -3.073   1.511
   60   HG23  VAL   6          3HG2      VAL   6  -1.450  -1.658   2.534
   61    H    CYS   7           HN       CYS   7  -5.483  -2.838  -0.935
   62    HA   CYS   7           HA       CYS   7  -6.575  -0.255  -1.728
   63    HB2  CYS   7          2HB       CYS   7  -7.441  -3.055  -2.490
   64    HB3  CYS   7          1HB       CYS   7  -8.320  -1.586  -2.906
   65    H    TYR   8           HN       TYR   8  -7.557   0.608  -0.159
   66    HA   TYR   8           HA       TYR   8  -8.885  -1.109   1.814
   67    HB2  TYR   8          2HB       TYR   8  -6.917   0.455   2.429
   68    HB3  TYR   8          1HB       TYR   8  -8.063   1.757   2.159
   69    HD1  TYR   8          1HD       TYR   8  -9.972   2.108   3.665
   70    HD2  TYR   8          2HD       TYR   8  -7.127  -0.981   4.370
   71    HE1  TYR   8          1HE       TYR   8 -10.801   1.861   5.960
   72    HE2  TYR   8          2HE       TYR   8  -7.943  -1.231   6.646
   73    HH   TYR   8           HH       TYR   8  -9.139   0.159   8.334
   74    H    ARG   9           HN       ARG   9 -10.988  -1.172   1.311
   75    HA   ARG   9           HA       ARG   9 -13.107  -0.538   0.834
   76    HB2  ARG   9          2HB       ARG   9 -11.987   2.133   1.634
   77    HB3  ARG   9          1HB       ARG   9 -13.652   1.958   1.103
   78    HG2  ARG   9          2HG       ARG   9 -12.458   0.408   3.379
   79    HG3  ARG   9          1HG       ARG   9 -13.319   1.937   3.570
   80    HD2  ARG   9          2HD       ARG   9 -14.431  -0.613   2.401
   81    HD3  ARG   9          1HD       ARG   9 -14.847   0.104   3.958
   82    HE   ARG   9           HE       ARG   9 -15.391   2.099   2.276
   83   HH11  ARG   9          1HH1      ARG   9 -16.365  -1.289   2.258
   84   HH12  ARG   9          2HH1      ARG   9 -17.833  -1.028   1.449
   85   HH21  ARG   9          1HH2      ARG   9 -17.422   2.485   1.093
   86   HH22  ARG   9          2HH2      ARG   9 -18.432   1.153   0.774
   87    H    GLY  10           HN       GLY  10 -10.934  -0.506  -1.207
   88    HA2  GLY  10          2HA       GLY  10 -11.217  -0.384  -3.550
   89    HA3  GLY  10          1HA       GLY  10 -12.471   0.827  -3.309
   90    H    ILE  11           HN       ILE  11 -10.288   1.912  -1.272
   91    HA   ILE  11           HA       ILE  11  -9.147   3.737  -3.195
   92    HB   ILE  11           HB       ILE  11  -8.820   3.635  -0.174
   93   HG12  ILE  11          2HG1      ILE  11 -11.166   4.019  -0.743
   94   HG13  ILE  11          1HG1      ILE  11 -10.458   5.488  -0.085
   95   HG21  ILE  11          1HG2      ILE  11  -8.043   5.958  -0.353
   96   HG22  ILE  11          2HG2      ILE  11  -8.164   5.858  -2.107
   97   HG23  ILE  11          3HG2      ILE  11  -7.003   4.848  -1.248
   98   HD11  ILE  11          1HD1      ILE  11 -10.988   4.915  -2.997
   99   HD12  ILE  11          2HD1      ILE  11 -10.258   6.387  -2.359
  100   HD13  ILE  11          3HD1      ILE  11 -11.924   5.980  -1.949
  101    H    CYS  12           HN       CYS  12  -7.389   3.041  -4.188
  102    HA   CYS  12           HA       CYS  12  -5.686   1.113  -2.809
  103    HB2  CYS  12          2HB       CYS  12  -5.833   1.765  -5.745
  104    HB3  CYS  12          1HB       CYS  12  -4.812   0.539  -5.011
  105    H    TYR  13           HN       TYR  13  -3.766   1.537  -2.210
  106    HA   TYR  13           HA       TYR  13  -2.267   3.706  -3.407
  107    HB2  TYR  13          2HB       TYR  13  -1.592   4.479  -1.108
  108    HB3  TYR  13          1HB       TYR  13  -3.282   4.758  -1.518
  109    HD1  TYR  13          1HD       TYR  13  -1.061   2.463   0.381
  110    HD2  TYR  13          2HD       TYR  13  -4.995   3.985  -0.127
  111    HE1  TYR  13          1HE       TYR  13  -1.747   1.338   2.418
  112    HE2  TYR  13          2HE       TYR  13  -5.701   2.873   1.932
  113    HH   TYR  13           HH       TYR  13  -4.950   0.904   3.298
  114    H    ARG  14           HN       ARG  14   0.039   3.575  -2.585
  115    HA   ARG  14           HA       ARG  14   0.669   0.769  -2.077
  116    HB2  ARG  14          2HB       ARG  14   2.795   1.044  -3.270
  117    HB3  ARG  14          1HB       ARG  14   1.435   1.371  -4.326
  118    HG2  ARG  14          2HG       ARG  14   1.845   3.755  -4.167
  119    HG3  ARG  14          1HG       ARG  14   3.128   3.480  -2.990
  120    HD2  ARG  14          2HD       ARG  14   4.075   3.886  -5.201
  121    HD3  ARG  14          1HD       ARG  14   4.407   2.239  -4.682
  122    HE   ARG  14           HE       ARG  14   2.050   2.259  -6.190
  123   HH11  ARG  14          1HH1      ARG  14   5.541   2.686  -6.690
  124   HH12  ARG  14          2HH1      ARG  14   5.517   2.152  -8.294
  125   HH21  ARG  14          1HH2      ARG  14   2.030   1.532  -8.414
  126   HH22  ARG  14          2HH2      ARG  14   3.472   1.489  -9.313
  127    H    LYS  15           HN       LYS  15   1.880   0.299  -0.431
  128    HA   LYS  15           HA       LYS  15   2.947   2.510   1.121
  129    HB2  LYS  15          2HB       LYS  15   2.054  -0.239   1.911
  130    HB3  LYS  15          1HB       LYS  15   3.127   0.700   2.940
  131    HG2  LYS  15          2HG       LYS  15   1.452   2.512   2.941
  132    HG3  LYS  15          1HG       LYS  15   0.369   1.452   2.038
  133    HD2  LYS  15          2HD       LYS  15   0.259  -0.080   3.841
  134    HD3  LYS  15          1HD       LYS  15   1.578   0.729   4.691
  135    HE2  LYS  15          2HE       LYS  15  -1.059   1.985   4.030
  136    HE3  LYS  15          1HE       LYS  15  -0.676   1.280   5.615
  137    HZ1  LYS  15          1HZ       LYS  15   1.115   2.994   5.759
  138    HZ2  LYS  15          2HZ       LYS  15  -0.425   3.654   5.614
  139    HZ3  LYS  15          3HZ       LYS  15   0.565   3.640   4.288
  140    H    CYS  16           HN       CYS  16   5.112   2.674   1.154
  141    HA   CYS  16           HA       CYS  16   6.617   0.385   0.150
  142    HB2  CYS  16          2HB       CYS  16   7.323   3.314   0.110
  143    HB3  CYS  16          1HB       CYS  16   8.374   2.017  -0.443
  144    H    ARG  17           HN       ARG  17   7.849  -0.646   1.452
  145    HA   ARG  17           HA       ARG  17   8.906   0.716   3.813
  146    HB2  ARG  17          2HB       ARG  17   7.689  -2.048   3.677
  147    HB3  ARG  17          1HB       ARG  17   8.756  -1.557   4.983
  148    HG2  ARG  17          2HG       ARG  17   7.179   0.217   5.596
  149    HG3  ARG  17          1HG       ARG  17   6.114  -0.282   4.280
  150    HD2  ARG  17          2HD       ARG  17   5.741  -2.414   5.301
  151    HD3  ARG  17          1HD       ARG  17   6.980  -2.107   6.516
  152    HE   ARG  17           HE       ARG  17   5.211  -0.090   6.874
  153   HH11  ARG  17          1HH1      ARG  17   4.774  -3.603   6.723
  154   HH12  ARG  17          2HH1      ARG  17   3.594  -3.653   7.940
  155   HH21  ARG  17          1HH2      ARG  17   3.606  -0.173   8.582
  156   HH22  ARG  17          2HH2      ARG  17   2.914  -1.660   9.024
  157    HN1  NH2  18          1H        ARG  17   9.393  -2.604   2.775
  158    HN2  NH2  18          2H        ARG  17  11.057  -2.388   2.349
  Start of MODEL    5
    1    H1   LYS   1          1HT       LYS   1  12.219   0.452  -4.286
    2    H2   LYS   1          2HT       LYS   1  13.067  -0.989  -4.431
    3    H3   LYS   1          3HT       LYS   1  13.780   0.323  -3.644
    4    HA   LYS   1           HA       LYS   1  13.007  -1.316  -2.087
    5    HB2  LYS   1          2HB       LYS   1  11.308   1.185  -2.131
    6    HB3  LYS   1          1HB       LYS   1  11.412   0.093  -0.768
    7    HG2  LYS   1          2HG       LYS   1  13.822   0.574  -0.605
    8    HG3  LYS   1          1HG       LYS   1  13.652   1.726  -1.930
    9    HD2  LYS   1          2HD       LYS   1  12.040   3.008  -0.593
   10    HD3  LYS   1          1HD       LYS   1  12.237   1.855   0.724
   11    HE2  LYS   1          2HE       LYS   1  14.593   2.418   0.886
   12    HE3  LYS   1          1HE       LYS   1  14.421   3.540  -0.462
   13    HZ1  LYS   1          1HZ       LYS   1  12.990   3.766   2.113
   14    HZ2  LYS   1          2HZ       LYS   1  12.961   4.899   0.855
   15    HZ3  LYS   1          3HZ       LYS   1  14.385   4.612   1.713
   16    H    TRP   2           HN       TRP   2  11.217  -2.444  -1.152
   17    HA   TRP   2           HA       TRP   2   9.332  -3.313  -3.153
   18    HB2  TRP   2          2HB       TRP   2   9.717  -4.191  -0.286
   19    HB3  TRP   2          1HB       TRP   2   8.577  -4.901  -1.413
   20    HD1  TRP   2          1HD       TRP   2   9.780  -6.072  -3.652
   21    HE1  TRP   2          1HE       TRP   2  11.923  -7.514  -3.691
   22    HE3  TRP   2          3HE       TRP   2  11.860  -4.562   0.748
   23    HZ2  TRP   2          2HZ       TRP   2  14.164  -7.951  -2.063
   24    HZ3  TRP   2          3HZ       TRP   2  13.999  -5.541   1.441
   25    HH2  TRP   2          2HH       TRP   2  15.126  -7.203   0.058
   26    H    CYS   3           HN       CYS   3   7.560  -2.180  -3.438
   27    HA   CYS   3           HA       CYS   3   6.266  -1.064  -1.061
   28    HB2  CYS   3          2HB       CYS   3   6.123  -0.060  -3.918
   29    HB3  CYS   3          1HB       CYS   3   5.329   0.665  -2.524
   30    H    PHE   4           HN       PHE   4   4.271  -1.787  -0.667
   31    HA   PHE   4           HA       PHE   4   3.177  -3.694  -2.586
   32    HB2  PHE   4          2HB       PHE   4   1.855  -4.540  -0.602
   33    HB3  PHE   4          1HB       PHE   4   3.583  -4.864  -0.567
   34    HD1  PHE   4          1HD       PHE   4   5.018  -3.637   1.049
   35    HD2  PHE   4          2HD       PHE   4   0.785  -3.147   1.037
   36    HE1  PHE   4          1HE       PHE   4   5.130  -2.663   3.287
   37    HE2  PHE   4          2HE       PHE   4   0.902  -2.171   3.279
   38    HZ   PHE   4           HZ       PHE   4   3.077  -1.921   4.410
   39    H    ARG   5           HN       ARG   5   0.883  -3.818  -2.835
   40    HA   ARG   5           HA       ARG   5  -0.266  -1.140  -2.806
   41    HB2  ARG   5          2HB       ARG   5  -0.187  -2.510  -4.928
   42    HB3  ARG   5          1HB       ARG   5  -1.328  -3.615  -4.177
   43    HG2  ARG   5          2HG       ARG   5  -2.948  -1.761  -3.974
   44    HG3  ARG   5          1HG       ARG   5  -1.808  -0.705  -4.808
   45    HD2  ARG   5          2HD       ARG   5  -1.851  -2.351  -6.716
   46    HD3  ARG   5          1HD       ARG   5  -3.174  -3.159  -5.881
   47    HE   ARG   5           HE       ARG   5  -3.436  -0.319  -6.468
   48   HH11  ARG   5          1HH1      ARG   5  -4.507  -3.632  -7.176
   49   HH12  ARG   5          2HH1      ARG   5  -5.812  -3.142  -8.149
   50   HH21  ARG   5          1HH2      ARG   5  -5.251   0.337  -7.789
   51   HH22  ARG   5          2HH2      ARG   5  -6.238  -0.855  -8.493
   52    H    VAL   6           HN       VAL   6  -1.776  -0.636  -1.377
   53    HA   VAL   6           HA       VAL   6  -3.130  -2.798   0.058
   54    HB   VAL   6           HB       VAL   6  -2.865   0.116   0.861
   55   HG11  VAL   6          1HG1      VAL   6  -4.859  -0.932   1.785
   56   HG12  VAL   6          2HG1      VAL   6  -3.689  -0.623   3.063
   57   HG13  VAL   6          3HG1      VAL   6  -3.892  -2.253   2.433
   58   HG21  VAL   6          1HG2      VAL   6  -0.683  -0.941   0.949
   59   HG22  VAL   6          2HG2      VAL   6  -1.341  -2.273   1.897
   60   HG23  VAL   6          3HG2      VAL   6  -1.282  -0.649   2.581
   61    H    CYS   7           HN       CYS   7  -5.148  -3.076  -0.618
   62    HA   CYS   7           HA       CYS   7  -6.548  -0.751  -1.684
   63    HB2  CYS   7          2HB       CYS   7  -6.872  -3.683  -2.301
   64    HB3  CYS   7          1HB       CYS   7  -8.114  -2.499  -2.702
   65    H    TYR   8           HN       TYR   8  -7.932   0.095  -0.425
   66    HA   TYR   8           HA       TYR   8  -9.357  -1.592   1.494
   67    HB2  TYR   8          2HB       TYR   8  -7.223  -0.451   2.382
   68    HB3  TYR   8          1HB       TYR   8  -8.113   1.048   2.206
   69    HD1  TYR   8          1HD       TYR   8  -7.172  -1.411   4.407
   70    HD2  TYR   8          2HD       TYR   8 -10.590   0.922   3.407
   71    HE1  TYR   8          1HE       TYR   8  -8.053  -1.775   6.627
   72    HE2  TYR   8          2HE       TYR   8 -11.487   0.571   5.648
   73    HH   TYR   8           HH       TYR   8 -11.202  -1.194   7.476
   74    H    ARG   9           HN       ARG   9 -11.384  -1.234   0.925
   75    HA   ARG   9           HA       ARG   9 -13.344  -0.368   0.384
   76    HB2  ARG   9          2HB       ARG   9 -14.130   1.643   1.487
   77    HB3  ARG   9          1HB       ARG   9 -13.086   0.763   2.572
   78    HG2  ARG   9          2HG       ARG   9 -11.294   2.359   2.160
   79    HG3  ARG   9          1HG       ARG   9 -12.312   3.215   1.009
   80    HD2  ARG   9          2HD       ARG   9 -13.898   3.752   2.741
   81    HD3  ARG   9          1HD       ARG   9 -12.981   2.801   3.909
   82    HE   ARG   9           HE       ARG   9 -11.150   4.528   3.179
   83   HH11  ARG   9          1HH1      ARG   9 -14.581   5.143   3.887
   84   HH12  ARG   9          2HH1      ARG   9 -14.325   6.658   4.596
   85   HH21  ARG   9          1HH2      ARG   9 -10.798   6.647   4.176
   86   HH22  ARG   9          2HH2      ARG   9 -12.134   7.534   4.750
   87    H    GLY  10           HN       GLY  10 -11.326  -0.116  -1.599
   88    HA2  GLY  10          2HA       GLY  10 -11.741   0.521  -3.846
   89    HA3  GLY  10          1HA       GLY  10 -12.690   1.881  -3.256
   90    H    ILE  11           HN       ILE  11 -10.256   2.058  -1.283
   91    HA   ILE  11           HA       ILE  11  -8.800   3.915  -2.980
   92    HB   ILE  11           HB       ILE  11  -8.664   3.487   0.022
   93   HG12  ILE  11          2HG1      ILE  11 -10.886   4.268  -0.624
   94   HG13  ILE  11          1HG1      ILE  11 -10.018   5.529   0.236
   95   HG21  ILE  11          1HG2      ILE  11  -6.637   4.491  -0.885
   96   HG22  ILE  11          2HG2      ILE  11  -7.533   5.663   0.083
   97   HG23  ILE  11          3HG2      ILE  11  -7.599   5.738  -1.678
   98   HD11  ILE  11          1HD1      ILE  11 -11.267   6.440  -1.635
   99   HD12  ILE  11          2HD1      ILE  11 -10.443   5.352  -2.747
  100   HD13  ILE  11          3HD1      ILE  11  -9.536   6.623  -1.922
  101    H    CYS  12           HN       CYS  12  -7.252   2.852  -4.049
  102    HA   CYS  12           HA       CYS  12  -5.656   0.908  -2.568
  103    HB2  CYS  12          2HB       CYS  12  -5.931   1.342  -5.540
  104    HB3  CYS  12          1HB       CYS  12  -4.843   0.179  -4.794
  105    H    TYR  13           HN       TYR  13  -3.619   1.326  -2.147
  106    HA   TYR  13           HA       TYR  13  -2.242   3.412  -3.602
  107    HB2  TYR  13          2HB       TYR  13  -1.528   4.518  -1.476
  108    HB3  TYR  13          1HB       TYR  13  -3.239   4.679  -1.840
  109    HD1  TYR  13          1HD       TYR  13  -4.910   3.534  -0.488
  110    HD2  TYR  13          2HD       TYR  13  -0.784   3.277   0.459
  111    HE1  TYR  13          1HE       TYR  13  -5.497   2.757   1.745
  112    HE2  TYR  13          2HE       TYR  13  -1.351   2.494   2.712
  113    HH   TYR  13           HH       TYR  13  -3.229   2.614   4.279
  114    H    ARG  14           HN       ARG  14   0.072   3.492  -2.900
  115    HA   ARG  14           HA       ARG  14   0.944   0.754  -2.349
  116    HB2  ARG  14          2HB       ARG  14   2.588   3.007  -3.526
  117    HB3  ARG  14          1HB       ARG  14   3.029   1.315  -3.441
  118    HG2  ARG  14          2HG       ARG  14   0.829   2.483  -5.143
  119    HG3  ARG  14          1HG       ARG  14   2.426   2.006  -5.703
  120    HD2  ARG  14          2HD       ARG  14   0.360   0.158  -4.503
  121    HD3  ARG  14          1HD       ARG  14   0.683   0.336  -6.219
  122    HE   ARG  14           HE       ARG  14   2.865  -0.493  -4.470
  123   HH11  ARG  14          1HH1      ARG  14   0.607  -1.324  -7.112
  124   HH12  ARG  14          2HH1      ARG  14   1.320  -2.839  -7.398
  125   HH21  ARG  14          1HH2      ARG  14   3.869  -2.611  -4.957
  126   HH22  ARG  14          2HH2      ARG  14   3.216  -3.549  -6.207
  127    H    LYS  15           HN       LYS  15   2.172   0.354  -0.615
  128    HA   LYS  15           HA       LYS  15   3.151   2.643   0.942
  129    HB2  LYS  15          2HB       LYS  15   2.285  -0.074   1.940
  130    HB3  LYS  15          1HB       LYS  15   3.146   1.114   2.900
  131    HG2  LYS  15          2HG       LYS  15   1.237   2.657   2.610
  132    HG3  LYS  15          1HG       LYS  15   0.381   1.372   1.756
  133    HD2  LYS  15          2HD       LYS  15  -0.319   1.426   4.110
  134    HD3  LYS  15          1HD       LYS  15   0.549  -0.061   3.752
  135    HE2  LYS  15          2HE       LYS  15   2.572   0.834   4.767
  136    HE3  LYS  15          1HE       LYS  15   1.767   2.377   5.051
  137    HZ1  LYS  15          1HZ       LYS  15   0.978  -0.225   6.245
  138    HZ2  LYS  15          2HZ       LYS  15   0.266   1.263   6.570
  139    HZ3  LYS  15          3HZ       LYS  15   1.867   0.977   7.019
  140    H    CYS  16           HN       CYS  16   5.244   2.559   1.559
  141    HA   CYS  16           HA       CYS  16   6.791   0.250   0.624
  142    HB2  CYS  16          2HB       CYS  16   7.713   3.131   0.898
  143    HB3  CYS  16          1HB       CYS  16   8.628   1.797   0.207
  144    H    ARG  17           HN       ARG  17   8.202  -0.608   2.177
  145    HA   ARG  17           HA       ARG  17   7.590   0.154   4.886
  146    HB2  ARG  17          2HB       ARG  17   8.005  -2.246   4.176
  147    HB3  ARG  17          1HB       ARG  17   9.701  -1.800   3.994
  148    HG2  ARG  17          2HG       ARG  17   9.752  -1.141   6.373
  149    HG3  ARG  17          1HG       ARG  17   8.102  -1.739   6.535
  150    HD2  ARG  17          2HD       ARG  17   9.560  -3.446   7.320
  151    HD3  ARG  17          1HD       ARG  17   8.936  -3.962   5.753
  152    HE   ARG  17           HE       ARG  17  11.350  -2.605   5.383
  153   HH11  ARG  17          1HH1      ARG  17  10.180  -5.708   6.648
  154   HH12  ARG  17          2HH1      ARG  17  11.654  -6.519   6.399
  155   HH21  ARG  17          1HH2      ARG  17  13.361  -3.744   5.018
  156   HH22  ARG  17          2HH2      ARG  17  13.512  -5.378   5.467
  157    HN1  NH2  18          1H        ARG  17   8.405   2.040   5.411
  158    HN2  NH2  18          2H        ARG  17  10.064   2.514   5.297
  Start of MODEL    6
    1    H1   LYS   1          1HT       LYS   1  13.370  -1.257  -3.818
    2    H2   LYS   1          2HT       LYS   1  13.962   0.239  -3.285
    3    H3   LYS   1          3HT       LYS   1  12.588   0.147  -4.279
    4    HA   LYS   1           HA       LYS   1  12.771  -1.035  -1.599
    5    HB2  LYS   1          2HB       LYS   1  11.285   0.782  -0.841
    6    HB3  LYS   1          1HB       LYS   1  12.819   1.412  -1.400
    7    HG2  LYS   1          2HG       LYS   1  11.729   2.060  -3.536
    8    HG3  LYS   1          1HG       LYS   1  10.189   1.499  -2.882
    9    HD2  LYS   1          2HD       LYS   1  10.350   3.115  -1.066
   10    HD3  LYS   1          1HD       LYS   1  11.921   3.651  -1.658
   11    HE2  LYS   1          2HE       LYS   1  10.278   5.244  -2.357
   12    HE3  LYS   1          1HE       LYS   1  10.804   4.351  -3.777
   13    HZ1  LYS   1          1HZ       LYS   1   8.260   3.912  -2.281
   14    HZ2  LYS   1          2HZ       LYS   1   8.756   3.021  -3.634
   15    HZ3  LYS   1          3HZ       LYS   1   8.443   4.654  -3.778
   16    H    TRP   2           HN       TRP   2  10.898  -2.034  -0.935
   17    HA   TRP   2           HA       TRP   2   9.172  -2.846  -3.112
   18    HB2  TRP   2          2HB       TRP   2   9.591  -3.918  -0.332
   19    HB3  TRP   2          1HB       TRP   2   8.302  -4.480  -1.385
   20    HD1  TRP   2          1HD       TRP   2  12.098  -4.635  -0.953
   21    HE1  TRP   2          1HE       TRP   2  13.001  -6.544  -2.447
   22    HE3  TRP   2          3HE       TRP   2   7.824  -5.766  -3.509
   23    HZ2  TRP   2          2HZ       TRP   2  12.027  -8.277  -4.428
   24    HZ3  TRP   2          3HZ       TRP   2   7.891  -7.563  -5.188
   25    HH2  TRP   2          2HH       TRP   2   9.956  -8.792  -5.637
   26    H    CYS   3           HN       CYS   3   7.081  -2.442  -3.179
   27    HA   CYS   3           HA       CYS   3   5.829  -1.054  -0.963
   28    HB2  CYS   3          2HB       CYS   3   5.649  -0.221  -3.873
   29    HB3  CYS   3          1HB       CYS   3   4.808   0.519  -2.517
   30    H    PHE   4           HN       PHE   4   3.870  -1.888  -0.610
   31    HA   PHE   4           HA       PHE   4   2.912  -3.736  -2.630
   32    HB2  PHE   4          2HB       PHE   4   1.581  -4.739  -0.729
   33    HB3  PHE   4          1HB       PHE   4   3.312  -5.095  -0.763
   34    HD1  PHE   4          1HD       PHE   4   0.560  -3.748   1.107
   35    HD2  PHE   4          2HD       PHE   4   4.801  -3.798   0.833
   36    HE1  PHE   4          1HE       PHE   4   0.719  -2.939   3.416
   37    HE2  PHE   4          2HE       PHE   4   4.967  -2.986   3.139
   38    HZ   PHE   4           HZ       PHE   4   2.919  -2.556   4.437
   39    H    ARG   5           HN       ARG   5   0.793  -3.851  -3.138
   40    HA   ARG   5           HA       ARG   5  -0.478  -1.276  -2.973
   41    HB2  ARG   5          2HB       ARG   5  -0.295  -2.199  -5.184
   42    HB3  ARG   5          1HB       ARG   5  -1.034  -3.704  -4.672
   43    HG2  ARG   5          2HG       ARG   5  -3.168  -2.615  -4.381
   44    HG3  ARG   5          1HG       ARG   5  -2.459  -1.045  -4.749
   45    HD2  ARG   5          2HD       ARG   5  -1.932  -1.808  -7.015
   46    HD3  ARG   5          1HD       ARG   5  -2.571  -3.404  -6.635
   47    HE   ARG   5           HE       ARG   5  -4.697  -1.943  -6.150
   48   HH11  ARG   5          1HH1      ARG   5  -2.440  -1.596  -8.869
   49   HH12  ARG   5          2HH1      ARG   5  -3.608  -1.157 -10.006
   50   HH21  ARG   5          1HH2      ARG   5  -6.360  -1.336  -7.746
   51   HH22  ARG   5          2HH2      ARG   5  -5.896  -1.024  -9.349
   52    H    VAL   6           HN       VAL   6  -1.811  -0.917  -1.364
   53    HA   VAL   6           HA       VAL   6  -3.492  -3.137  -0.433
   54    HB   VAL   6           HB       VAL   6  -2.867  -0.540   1.016
   55   HG11  VAL   6          1HG1      VAL   6  -4.292  -3.022   1.984
   56   HG12  VAL   6          2HG1      VAL   6  -5.047  -1.474   1.619
   57   HG13  VAL   6          3HG1      VAL   6  -3.921  -1.606   2.966
   58   HG21  VAL   6          1HG2      VAL   6  -1.790  -3.309   1.531
   59   HG22  VAL   6          2HG2      VAL   6  -1.511  -1.895   2.547
   60   HG23  VAL   6          3HG2      VAL   6  -0.878  -1.937   0.901
   61    H    CYS   7           HN       CYS   7  -5.537  -2.993  -0.988
   62    HA   CYS   7           HA       CYS   7  -6.556  -0.372  -1.780
   63    HB2  CYS   7          2HB       CYS   7  -7.497  -3.142  -2.551
   64    HB3  CYS   7          1HB       CYS   7  -8.269  -1.638  -3.045
   65    H    TYR   8           HN       TYR   8  -7.570   0.512  -0.236
   66    HA   TYR   8           HA       TYR   8  -9.062  -1.171   1.655
   67    HB2  TYR   8          2HB       TYR   8  -6.996   0.171   2.413
   68    HB3  TYR   8          1HB       TYR   8  -7.998   1.594   2.184
   69    HD1  TYR   8          1HD       TYR   8  -9.941   2.011   3.668
   70    HD2  TYR   8          2HD       TYR   8  -7.379  -1.321   4.242
   71    HE1  TYR   8          1HE       TYR   8 -10.867   1.696   5.902
   72    HE2  TYR   8          2HE       TYR   8  -8.284  -1.658   6.467
   73    HH   TYR   8           HH       TYR   8 -11.128  -0.137   7.487
   74    H    ARG   9           HN       ARG   9 -11.132  -1.043   1.127
   75    HA   ARG   9           HA       ARG   9 -13.206  -0.321   0.571
   76    HB2  ARG   9          2HB       ARG   9 -12.153   2.368   1.478
   77    HB3  ARG   9          1HB       ARG   9 -13.838   2.034   1.120
   78    HG2  ARG   9          2HG       ARG   9 -13.859   0.357   2.922
   79    HG3  ARG   9          1HG       ARG   9 -12.184   0.775   3.293
   80    HD2  ARG   9          2HD       ARG   9 -13.692   1.913   4.805
   81    HD3  ARG   9          1HD       ARG   9 -12.882   3.083   3.764
   82    HE   ARG   9           HE       ARG   9 -15.146   2.652   2.425
   83   HH11  ARG   9          1HH1      ARG   9 -14.646   3.354   5.879
   84   HH12  ARG   9          2HH1      ARG   9 -16.136   4.149   6.055
   85   HH21  ARG   9          1HH2      ARG   9 -17.182   3.769   2.711
   86   HH22  ARG   9          2HH2      ARG   9 -17.600   4.367   4.248
   87    H    GLY  10           HN       GLY  10 -11.022  -0.283  -1.365
   88    HA2  GLY  10          2HA       GLY  10 -11.305  -0.041  -3.698
   89    HA3  GLY  10          1HA       GLY  10 -12.350   1.343  -3.402
   90    H    ILE  11           HN       ILE  11 -10.153   2.133  -1.344
   91    HA   ILE  11           HA       ILE  11  -8.688   3.808  -3.199
   92    HB   ILE  11           HB       ILE  11  -8.443   3.581  -0.182
   93   HG12  ILE  11          2HG1      ILE  11 -10.692   4.328  -0.803
   94   HG13  ILE  11          1HG1      ILE  11  -9.788   5.636  -0.053
   95   HG21  ILE  11          1HG2      ILE  11  -7.413   5.720  -2.041
   96   HG22  ILE  11          2HG2      ILE  11  -6.445   4.532  -1.170
   97   HG23  ILE  11          3HG2      ILE  11  -7.333   5.768  -0.280
   98   HD11  ILE  11          1HD1      ILE  11 -10.301   5.284  -2.994
   99   HD12  ILE  11          2HD1      ILE  11  -9.365   6.586  -2.267
  100   HD13  ILE  11          3HD1      ILE  11 -11.090   6.441  -1.921
  101    H    CYS  12           HN       CYS  12  -7.008   2.877  -4.200
  102    HA   CYS  12           HA       CYS  12  -5.461   0.887  -2.733
  103    HB2  CYS  12          2HB       CYS  12  -5.424   1.577  -5.682
  104    HB3  CYS  12          1HB       CYS  12  -4.507   0.290  -4.910
  105    H    TYR  13           HN       TYR  13  -3.610   1.365  -1.930
  106    HA   TYR  13           HA       TYR  13  -2.100   3.605  -3.032
  107    HB2  TYR  13          2HB       TYR  13  -1.492   4.313  -0.742
  108    HB3  TYR  13          1HB       TYR  13  -3.215   4.436  -1.066
  109    HD1  TYR  13          1HD       TYR  13  -0.643   2.729   0.923
  110    HD2  TYR  13          2HD       TYR  13  -4.812   2.988   0.082
  111    HE1  TYR  13          1HE       TYR  13  -1.132   1.502   2.980
  112    HE2  TYR  13          2HE       TYR  13  -5.309   1.757   2.133
  113    HH   TYR  13           HH       TYR  13  -3.066   1.290   4.567
  114    H    ARG  14           HN       ARG  14   0.183   3.524  -2.443
  115    HA   ARG  14           HA       ARG  14   1.047   0.738  -2.281
  116    HB2  ARG  14          2HB       ARG  14   2.648   3.137  -3.184
  117    HB3  ARG  14          1HB       ARG  14   3.118   1.451  -3.304
  118    HG2  ARG  14          2HG       ARG  14   1.244   1.086  -4.860
  119    HG3  ARG  14          1HG       ARG  14   0.920   2.823  -4.820
  120    HD2  ARG  14          2HD       ARG  14   2.255   2.398  -6.747
  121    HD3  ARG  14          1HD       ARG  14   3.293   3.178  -5.554
  122    HE   ARG  14           HE       ARG  14   3.258   0.266  -5.774
  123   HH11  ARG  14          1HH1      ARG  14   5.120   3.282  -6.035
  124   HH12  ARG  14          2HH1      ARG  14   6.582   2.498  -6.407
  125   HH21  ARG  14          1HH2      ARG  14   5.225  -0.774  -6.289
  126   HH22  ARG  14          2HH2      ARG  14   6.642   0.125  -6.590
  127    H    LYS  15           HN       LYS  15   1.734   0.162  -0.387
  128    HA   LYS  15           HA       LYS  15   2.782   2.241   1.388
  129    HB2  LYS  15          2HB       LYS  15   0.820   0.655   2.033
  130    HB3  LYS  15          1HB       LYS  15   2.070  -0.569   2.212
  131    HG2  LYS  15          2HG       LYS  15   3.182   0.762   3.884
  132    HG3  LYS  15          1HG       LYS  15   2.011   2.060   3.657
  133    HD2  LYS  15          2HD       LYS  15   0.224   0.447   4.354
  134    HD3  LYS  15          1HD       LYS  15   1.503  -0.694   4.768
  135    HE2  LYS  15          2HE       LYS  15   1.129   2.066   5.929
  136    HE3  LYS  15          1HE       LYS  15   0.758   0.548   6.744
  137    HZ1  LYS  15          1HZ       LYS  15   3.128  -0.001   6.663
  138    HZ2  LYS  15          2HZ       LYS  15   2.876   1.460   7.448
  139    HZ3  LYS  15          3HZ       LYS  15   3.455   1.457   5.883
  140    H    CYS  16           HN       CYS  16   4.939   2.286   1.701
  141    HA   CYS  16           HA       CYS  16   6.483   0.035   0.607
  142    HB2  CYS  16          2HB       CYS  16   7.332   2.920   0.915
  143    HB3  CYS  16          1HB       CYS  16   8.190   1.643   0.074
  144    H    ARG  17           HN       ARG  17   8.752  -0.016   1.606
  145    HA   ARG  17           HA       ARG  17   8.618   0.559   4.480
  146    HB2  ARG  17          2HB       ARG  17  10.341  -1.415   2.959
  147    HB3  ARG  17          1HB       ARG  17  10.564  -1.032   4.653
  148    HG2  ARG  17          2HG       ARG  17   8.143  -2.318   3.416
  149    HG3  ARG  17          1HG       ARG  17   9.379  -3.116   4.392
  150    HD2  ARG  17          2HD       ARG  17   7.437  -0.990   5.275
  151    HD3  ARG  17          1HD       ARG  17   7.473  -2.681   5.779
  152    HE   ARG  17           HE       ARG  17   9.858  -1.887   6.571
  153   HH11  ARG  17          1HH1      ARG  17   6.678  -0.377   7.055
  154   HH12  ARG  17          2HH1      ARG  17   7.146   0.486   8.431
  155   HH21  ARG  17          1HH2      ARG  17  10.493  -0.711   8.463
  156   HH22  ARG  17          2HH2      ARG  17   9.372   0.292   9.260
  157    HN1  NH2  18          1H        ARG  17   9.114   2.742   4.078
  158    HN2  NH2  18          2H        ARG  17  10.718   3.230   3.671
  Start of MODEL    7
    1    H1   LYS   1          1HT       LYS   1  13.305   1.443  -3.690
    2    H2   LYS   1          2HT       LYS   1  11.846   1.245  -4.544
    3    H3   LYS   1          3HT       LYS   1  12.877  -0.050  -4.364
    4    HA   LYS   1           HA       LYS   1  12.485  -0.093  -2.002
    5    HB2  LYS   1          2HB       LYS   1  10.555   2.152  -2.665
    6    HB3  LYS   1          1HB       LYS   1  10.600   1.291  -1.142
    7    HG2  LYS   1          2HG       LYS   1  12.906   2.898  -2.217
    8    HG3  LYS   1          1HG       LYS   1  11.669   3.528  -1.130
    9    HD2  LYS   1          2HD       LYS   1  12.281   1.855   0.547
   10    HD3  LYS   1          1HD       LYS   1  13.524   1.222  -0.535
   11    HE2  LYS   1          2HE       LYS   1  14.713   3.305  -0.473
   12    HE3  LYS   1          1HE       LYS   1  13.428   4.066   0.460
   13    HZ1  LYS   1          1HZ       LYS   1  15.299   3.436   1.845
   14    HZ2  LYS   1          2HZ       LYS   1  15.158   1.833   1.392
   15    HZ3  LYS   1          3HZ       LYS   1  13.928   2.576   2.285
   16    H    TRP   2           HN       TRP   2  10.874  -1.514  -1.329
   17    HA   TRP   2           HA       TRP   2   9.065  -2.367  -3.431
   18    HB2  TRP   2          2HB       TRP   2   9.929  -3.724  -0.865
   19    HB3  TRP   2          1HB       TRP   2   8.736  -4.384  -1.978
   20    HD1  TRP   2          1HD       TRP   2   9.648  -5.249  -4.372
   21    HE1  TRP   2          1HE       TRP   2  11.997  -6.068  -5.095
   22    HE3  TRP   2          3HE       TRP   2  12.397  -3.391  -0.491
   23    HZ2  TRP   2          2HZ       TRP   2  14.631  -5.941  -4.138
   24    HZ3  TRP   2          3HZ       TRP   2  14.828  -3.784  -0.470
   25    HH2  TRP   2          2HH       TRP   2  15.913  -5.036  -2.260
   26    H    CYS   3           HN       CYS   3   7.000  -1.911  -3.293
   27    HA   CYS   3           HA       CYS   3   5.991  -0.945  -0.719
   28    HB2  CYS   3          2HB       CYS   3   5.252   0.183  -3.423
   29    HB3  CYS   3          1HB       CYS   3   4.854   0.842  -1.839
   30    H    PHE   4           HN       PHE   4   4.140  -1.830  -0.096
   31    HA   PHE   4           HA       PHE   4   2.968  -3.772  -1.892
   32    HB2  PHE   4          2HB       PHE   4   1.646  -4.443   0.142
   33    HB3  PHE   4          1HB       PHE   4   3.374  -4.786   0.205
   34    HD1  PHE   4          1HD       PHE   4   4.787  -3.515   1.744
   35    HD2  PHE   4          2HD       PHE   4   0.590  -2.917   1.609
   36    HE1  PHE   4          1HE       PHE   4   4.887  -2.396   3.909
   37    HE2  PHE   4          2HE       PHE   4   0.681  -1.779   3.784
   38    HZ   PHE   4           HZ       PHE   4   2.839  -1.519   4.942
   39    H    ARG   5           HN       ARG   5   0.740  -3.884  -2.246
   40    HA   ARG   5           HA       ARG   5  -0.295  -1.165  -2.416
   41    HB2  ARG   5          2HB       ARG   5   0.185  -2.462  -4.517
   42    HB3  ARG   5          1HB       ARG   5  -1.103  -3.561  -4.055
   43    HG2  ARG   5          2HG       ARG   5  -2.697  -1.692  -4.138
   44    HG3  ARG   5          1HG       ARG   5  -1.392  -0.627  -4.669
   45    HD2  ARG   5          2HD       ARG   5  -1.020  -2.217  -6.584
   46    HD3  ARG   5          1HD       ARG   5  -2.490  -3.039  -6.088
   47    HE   ARG   5           HE       ARG   5  -2.550  -0.188  -6.721
   48   HH11  ARG   5          1HH1      ARG   5  -3.713  -3.474  -7.386
   49   HH12  ARG   5          2HH1      ARG   5  -4.777  -2.991  -8.623
   50   HH21  ARG   5          1HH2      ARG   5  -4.011   0.463  -8.454
   51   HH22  ARG   5          2HH2      ARG   5  -4.939  -0.727  -9.237
   52    H    VAL   6           HN       VAL   6  -1.648  -0.793  -0.817
   53    HA   VAL   6           HA       VAL   6  -3.352  -2.940   0.187
   54    HB   VAL   6           HB       VAL   6  -3.009  -0.118   1.258
   55   HG11  VAL   6          1HG1      VAL   6  -4.332  -2.515   2.544
   56   HG12  VAL   6          2HG1      VAL   6  -5.160  -1.108   1.892
   57   HG13  VAL   6          3HG1      VAL   6  -4.115  -0.936   3.295
   58   HG21  VAL   6          1HG2      VAL   6  -1.662  -1.132   3.040
   59   HG22  VAL   6          2HG2      VAL   6  -0.934  -1.349   1.450
   60   HG23  VAL   6          3HG2      VAL   6  -1.778  -2.693   2.226
   61    H    CYS   7           HN       CYS   7  -5.409  -3.024  -0.418
   62    HA   CYS   7           HA       CYS   7  -6.563  -0.633  -1.641
   63    HB2  CYS   7          2HB       CYS   7  -7.270  -3.545  -2.044
   64    HB3  CYS   7          1HB       CYS   7  -8.186  -2.197  -2.712
   65    H    TYR   8           HN       TYR   8  -7.667   0.399  -0.287
   66    HA   TYR   8           HA       TYR   8  -9.262  -1.035   1.731
   67    HB2  TYR   8          2HB       TYR   8  -7.087   0.134   2.450
   68    HB3  TYR   8          1HB       TYR   8  -7.909   1.630   2.076
   69    HD1  TYR   8          1HD       TYR   8  -7.782  -1.203   4.379
   70    HD2  TYR   8          2HD       TYR   8  -9.690   2.488   3.500
   71    HE1  TYR   8          1HE       TYR   8  -8.731  -1.179   6.611
   72    HE2  TYR   8          2HE       TYR   8 -10.657   2.538   5.740
   73    HH   TYR   8           HH       TYR   8  -9.631   0.498   8.222
   74    H    ARG   9           HN       ARG   9 -11.299  -0.769   0.943
   75    HA   ARG   9           HA       ARG   9 -13.258   0.179   0.296
   76    HB2  ARG   9          2HB       ARG   9 -11.941   2.761   1.190
   77    HB3  ARG   9          1HB       ARG   9 -13.621   2.640   0.695
   78    HG2  ARG   9          2HG       ARG   9 -14.056   1.113   2.551
   79    HG3  ARG   9          1HG       ARG   9 -12.364   1.233   3.040
   80    HD2  ARG   9          2HD       ARG   9 -14.315   3.532   2.894
   81    HD3  ARG   9          1HD       ARG   9 -13.818   2.703   4.369
   82    HE   ARG   9           HE       ARG   9 -11.567   3.658   2.949
   83   HH11  ARG   9          1HH1      ARG   9 -14.237   4.895   4.915
   84   HH12  ARG   9          2HH1      ARG   9 -13.336   6.166   5.593
   85   HH21  ARG   9          1HH2      ARG   9 -10.325   5.410   3.887
   86   HH22  ARG   9          2HH2      ARG   9 -11.083   6.453   4.991
   87    H    GLY  10           HN       GLY  10 -11.225  -0.315  -1.542
   88    HA2  GLY  10          2HA       GLY  10 -11.159  -0.133  -3.851
   89    HA3  GLY  10          1HA       GLY  10 -12.183   1.294  -3.748
   90    H    ILE  11           HN       ILE  11 -10.024   2.057  -1.572
   91    HA   ILE  11           HA       ILE  11  -8.415   3.547  -3.433
   92    HB   ILE  11           HB       ILE  11  -8.455   3.541  -0.402
   93   HG12  ILE  11          2HG1      ILE  11 -10.513   4.425  -1.414
   94   HG13  ILE  11          1HG1      ILE  11  -9.602   5.698  -0.617
   95   HG21  ILE  11          1HG2      ILE  11  -7.011   5.422  -2.264
   96   HG22  ILE  11          2HG2      ILE  11  -6.260   4.179  -1.268
   97   HG23  ILE  11          3HG2      ILE  11  -7.076   5.541  -0.502
   98   HD11  ILE  11          1HD1      ILE  11  -9.743   5.174  -3.585
   99   HD12  ILE  11          2HD1      ILE  11  -8.736   6.401  -2.822
  100   HD13  ILE  11          3HD1      ILE  11 -10.491   6.511  -2.707
  101    H    CYS  12           HN       CYS  12  -6.905   2.369  -4.340
  102    HA   CYS  12           HA       CYS  12  -5.335   0.573  -2.673
  103    HB2  CYS  12          2HB       CYS  12  -5.391   0.909  -5.684
  104    HB3  CYS  12          1HB       CYS  12  -4.444  -0.286  -4.810
  105    H    TYR  13           HN       TYR  13  -3.472   1.251  -1.955
  106    HA   TYR  13           HA       TYR  13  -1.994   3.274  -3.455
  107    HB2  TYR  13          2HB       TYR  13  -1.431   4.444  -1.343
  108    HB3  TYR  13          1HB       TYR  13  -3.162   4.453  -1.651
  109    HD1  TYR  13          1HD       TYR  13  -0.509   3.280   0.573
  110    HD2  TYR  13          2HD       TYR  13  -4.682   3.118  -0.244
  111    HE1  TYR  13          1HE       TYR  13  -0.902   2.377   2.803
  112    HE2  TYR  13          2HE       TYR  13  -5.096   2.219   1.978
  113    HH   TYR  13           HH       TYR  13  -2.673   2.220   4.416
  114    H    ARG  14           HN       ARG  14   0.303   3.205  -2.960
  115    HA   ARG  14           HA       ARG  14   1.015   0.566  -1.964
  116    HB2  ARG  14          2HB       ARG  14   3.109   0.743  -3.303
  117    HB3  ARG  14          1HB       ARG  14   1.642   0.682  -4.258
  118    HG2  ARG  14          2HG       ARG  14   1.774   3.101  -4.604
  119    HG3  ARG  14          1HG       ARG  14   3.248   3.151  -3.636
  120    HD2  ARG  14          2HD       ARG  14   4.354   1.674  -5.220
  121    HD3  ARG  14          1HD       ARG  14   2.880   1.578  -6.183
  122    HE   ARG  14           HE       ARG  14   3.306   4.190  -6.098
  123   HH11  ARG  14          1HH1      ARG  14   5.525   1.515  -6.868
  124   HH12  ARG  14          2HH1      ARG  14   6.481   2.421  -7.944
  125   HH21  ARG  14          1HH2      ARG  14   4.631   5.433  -7.606
  126   HH22  ARG  14          2HH2      ARG  14   5.960   4.700  -8.363
  127    H    LYS  15           HN       LYS  15   1.733   0.520  -0.092
  128    HA   LYS  15           HA       LYS  15   3.051   2.842   1.100
  129    HB2  LYS  15          2HB       LYS  15   1.084   1.673   2.183
  130    HB3  LYS  15          1HB       LYS  15   2.106   0.264   2.370
  131    HG2  LYS  15          2HG       LYS  15   3.566   1.480   3.869
  132    HG3  LYS  15          1HG       LYS  15   2.626   2.957   3.618
  133    HD2  LYS  15          2HD       LYS  15   0.628   1.784   4.486
  134    HD3  LYS  15          1HD       LYS  15   1.632   0.381   4.827
  135    HE2  LYS  15          2HE       LYS  15   2.970   1.715   6.382
  136    HE3  LYS  15          1HE       LYS  15   1.985   3.131   6.018
  137    HZ1  LYS  15          1HZ       LYS  15   1.022   0.624   7.306
  138    HZ2  LYS  15          2HZ       LYS  15   0.046   1.921   6.883
  139    HZ3  LYS  15          3HZ       LYS  15   1.215   2.121   8.052
  140    H    CYS  16           HN       CYS  16   5.217   2.705   1.631
  141    HA   CYS  16           HA       CYS  16   6.539   0.412   0.425
  142    HB2  CYS  16          2HB       CYS  16   7.626   3.138   1.069
  143    HB3  CYS  16          1HB       CYS  16   8.463   1.865   0.180
  144    H    ARG  17           HN       ARG  17   7.726  -0.955   1.457
  145    HA   ARG  17           HA       ARG  17   8.677  -0.353   4.140
  146    HB2  ARG  17          2HB       ARG  17   6.502  -1.402   4.426
  147    HB3  ARG  17          1HB       ARG  17   6.993  -2.766   3.431
  148    HG2  ARG  17          2HG       ARG  17   7.031  -3.427   5.731
  149    HG3  ARG  17          1HG       ARG  17   8.697  -3.307   5.172
  150    HD2  ARG  17          2HD       ARG  17   7.291  -1.089   6.650
  151    HD3  ARG  17          1HD       ARG  17   8.206  -2.345   7.468
  152    HE   ARG  17           HE       ARG  17  10.053  -1.473   5.843
  153   HH11  ARG  17          1HH1      ARG  17   7.700   0.479   7.635
  154   HH12  ARG  17          2HH1      ARG  17   8.762   1.772   7.896
  155   HH21  ARG  17          1HH2      ARG  17  11.521   0.321   6.209
  156   HH22  ARG  17          2HH2      ARG  17  10.997   1.667   7.089
  157    HN1  NH2  18          1H        ARG  17   8.436  -3.386   2.349
  158    HN2  NH2  18          2H        ARG  17  10.133  -3.592   2.126
  Start of MODEL    8
    1    H1   LYS   1          1HT       LYS   1  13.681   0.667  -1.036
    2    H2   LYS   1          2HT       LYS   1  13.099  -0.851  -0.628
    3    H3   LYS   1          3HT       LYS   1  12.077   0.495  -0.605
    4    HA   LYS   1           HA       LYS   1  12.286   0.789  -2.954
    5    HB2  LYS   1          2HB       LYS   1  14.607  -0.161  -3.090
    6    HB3  LYS   1          1HB       LYS   1  13.921  -1.764  -2.897
    7    HG2  LYS   1          2HG       LYS   1  12.692  -1.487  -4.998
    8    HG3  LYS   1          1HG       LYS   1  13.398   0.117  -5.191
    9    HD2  LYS   1          2HD       LYS   1  15.643  -0.897  -5.215
   10    HD3  LYS   1          1HD       LYS   1  14.908  -2.495  -5.073
   11    HE2  LYS   1          2HE       LYS   1  13.739  -2.138  -7.201
   12    HE3  LYS   1          1HE       LYS   1  14.485  -0.545  -7.339
   13    HZ1  LYS   1          1HZ       LYS   1  15.687  -2.129  -8.653
   14    HZ2  LYS   1          2HZ       LYS   1  15.901  -3.155  -7.329
   15    HZ3  LYS   1          3HZ       LYS   1  16.655  -1.649  -7.355
   16    H    TRP   2           HN       TRP   2  11.537  -1.927  -0.844
   17    HA   TRP   2           HA       TRP   2   9.775  -3.085  -2.789
   18    HB2  TRP   2          2HB       TRP   2  10.202  -3.736   0.125
   19    HB3  TRP   2          1HB       TRP   2   9.102  -4.604  -0.936
   20    HD1  TRP   2          1HD       TRP   2  10.614  -5.364  -3.368
   21    HE1  TRP   2          1HE       TRP   2  12.779  -6.757  -3.330
   22    HE3  TRP   2          3HE       TRP   2  12.043  -4.471   1.444
   23    HZ2  TRP   2          2HZ       TRP   2  14.812  -7.398  -1.483
   24    HZ3  TRP   2          3HZ       TRP   2  14.101  -5.510   2.272
   25    HH2  TRP   2          2HH       TRP   2  15.455  -6.946   0.839
   26    H    CYS   3           HN       CYS   3   7.704  -2.742  -3.033
   27    HA   CYS   3           HA       CYS   3   6.256  -1.213  -1.027
   28    HB2  CYS   3          2HB       CYS   3   6.299  -0.571  -3.984
   29    HB3  CYS   3          1HB       CYS   3   5.382   0.266  -2.741
   30    H    PHE   4           HN       PHE   4   4.016  -1.634  -1.090
   31    HA   PHE   4           HA       PHE   4   3.101  -3.573  -3.047
   32    HB2  PHE   4          2HB       PHE   4   1.839  -4.735  -1.216
   33    HB3  PHE   4          1HB       PHE   4   3.597  -4.965  -1.203
   34    HD1  PHE   4          1HD       PHE   4   4.950  -3.855   0.545
   35    HD2  PHE   4          2HD       PHE   4   0.700  -3.728   0.595
   36    HE1  PHE   4          1HE       PHE   4   4.997  -3.193   2.917
   37    HE2  PHE   4          2HE       PHE   4   0.748  -3.066   2.957
   38    HZ   PHE   4           HZ       PHE   4   2.905  -2.794   4.116
   39    H    ARG   5           HN       ARG   5   0.743  -3.710  -3.151
   40    HA   ARG   5           HA       ARG   5  -0.346  -1.029  -2.789
   41    HB2  ARG   5          2HB       ARG   5  -0.246  -1.946  -5.085
   42    HB3  ARG   5          1HB       ARG   5  -1.259  -3.286  -4.575
   43    HG2  ARG   5          2HG       ARG   5  -3.010  -1.593  -3.970
   44    HG3  ARG   5          1HG       ARG   5  -2.009  -0.387  -4.781
   45    HD2  ARG   5          2HD       ARG   5  -3.680  -1.193  -6.310
   46    HD3  ARG   5          1HD       ARG   5  -2.096  -1.768  -6.838
   47    HE   ARG   5           HE       ARG   5  -2.933  -3.837  -5.388
   48   HH11  ARG   5          1HH1      ARG   5  -4.662  -1.983  -7.872
   49   HH12  ARG   5          2HH1      ARG   5  -5.673  -3.284  -8.296
   50   HH21  ARG   5          1HH2      ARG   5  -4.286  -5.605  -6.019
   51   HH22  ARG   5          2HH2      ARG   5  -5.449  -5.374  -7.251
   52    H    VAL   6           HN       VAL   6  -1.945  -0.745  -1.343
   53    HA   VAL   6           HA       VAL   6  -3.377  -3.121  -0.381
   54    HB   VAL   6           HB       VAL   6  -2.787  -0.526   1.113
   55   HG11  VAL   6          1HG1      VAL   6  -3.887  -1.558   3.060
   56   HG12  VAL   6          2HG1      VAL   6  -4.313  -2.956   2.083
   57   HG13  VAL   6          3HG1      VAL   6  -5.010  -1.382   1.716
   58   HG21  VAL   6          1HG2      VAL   6  -1.829  -3.340   1.601
   59   HG22  VAL   6          2HG2      VAL   6  -1.514  -1.957   2.646
   60   HG23  VAL   6          3HG2      VAL   6  -0.858  -1.992   1.008
   61    H    CYS   7           HN       CYS   7  -5.589  -3.028  -0.633
   62    HA   CYS   7           HA       CYS   7  -6.634  -0.486  -1.612
   63    HB2  CYS   7          2HB       CYS   7  -7.626  -3.300  -2.083
   64    HB3  CYS   7          1HB       CYS   7  -8.459  -1.845  -2.625
   65    H    TYR   8           HN       TYR   8  -7.540   0.562  -0.139
   66    HA   TYR   8           HA       TYR   8  -8.891  -0.885   2.012
   67    HB2  TYR   8          2HB       TYR   8  -6.758   0.453   2.498
   68    HB3  TYR   8          1HB       TYR   8  -7.716   1.885   2.151
   69    HD1  TYR   8          1HD       TYR   8  -7.281  -0.952   4.431
   70    HD2  TYR   8          2HD       TYR   8  -9.281   2.731   3.762
   71    HE1  TYR   8          1HE       TYR   8  -8.000  -0.947   6.746
   72    HE2  TYR   8          2HE       TYR   8 -10.028   2.758   6.085
   73    HH   TYR   8           HH       TYR   8 -10.383   1.250   7.881
   74    H    ARG   9           HN       ARG   9 -10.906  -0.901   1.242
   75    HA   ARG   9           HA       ARG   9 -13.049  -0.205   0.946
   76    HB2  ARG   9          2HB       ARG   9 -12.011   2.547   1.684
   77    HB3  ARG   9          1HB       ARG   9 -13.699   2.087   1.600
   78    HG2  ARG   9          2HG       ARG   9 -11.713   0.861   3.510
   79    HG3  ARG   9          1HG       ARG   9 -12.741   2.229   3.909
   80    HD2  ARG   9          2HD       ARG   9 -13.706   0.228   4.792
   81    HD3  ARG   9          1HD       ARG   9 -14.729   0.800   3.482
   82    HE   ARG   9           HE       ARG   9 -12.921  -1.151   2.511
   83   HH11  ARG   9          1HH1      ARG   9 -15.659  -0.990   4.732
   84   HH12  ARG   9          2HH1      ARG   9 -16.299  -2.496   4.287
   85   HH21  ARG   9          1HH2      ARG   9 -13.749  -3.245   1.933
   86   HH22  ARG   9          2HH2      ARG   9 -15.164  -3.832   2.682
   87    H    GLY  10           HN       GLY  10 -11.134  -0.294  -1.182
   88    HA2  GLY  10          2HA       GLY  10 -11.642  -0.069  -3.489
   89    HA3  GLY  10          1HA       GLY  10 -12.570   1.378  -3.118
   90    H    ILE  11           HN       ILE  11 -10.291   2.216  -1.345
   91    HA   ILE  11           HA       ILE  11  -8.862   3.653  -3.400
   92    HB   ILE  11           HB       ILE  11  -8.568   3.748  -0.382
   93   HG12  ILE  11          2HG1      ILE  11 -10.817   4.438  -1.040
   94   HG13  ILE  11          1HG1      ILE  11  -9.892   5.823  -0.477
   95   HG21  ILE  11          1HG2      ILE  11  -7.554   5.674  -2.471
   96   HG22  ILE  11          2HG2      ILE  11  -6.573   4.568  -1.511
   97   HG23  ILE  11          3HG2      ILE  11  -7.435   5.893  -0.726
   98   HD11  ILE  11          1HD1      ILE  11  -9.529   6.505  -2.805
   99   HD12  ILE  11          2HD1      ILE  11 -11.240   6.402  -2.396
  100   HD13  ILE  11          3HD1      ILE  11 -10.486   5.125  -3.350
  101    H    CYS  12           HN       CYS  12  -7.291   2.552  -4.361
  102    HA   CYS  12           HA       CYS  12  -5.682   0.701  -2.783
  103    HB2  CYS  12          2HB       CYS  12  -5.835   1.102  -5.777
  104    HB3  CYS  12          1HB       CYS  12  -4.874  -0.113  -4.939
  105    H    TYR  13           HN       TYR  13  -3.909   1.404  -1.985
  106    HA   TYR  13           HA       TYR  13  -2.461   3.481  -3.425
  107    HB2  TYR  13          2HB       TYR  13  -1.846   4.498  -1.255
  108    HB3  TYR  13          1HB       TYR  13  -3.574   4.544  -1.578
  109    HD1  TYR  13          1HD       TYR  13  -5.134   3.343  -0.161
  110    HD2  TYR  13          2HD       TYR  13  -0.948   3.075   0.520
  111    HE1  TYR  13          1HE       TYR  13  -5.556   2.375   2.047
  112    HE2  TYR  13          2HE       TYR  13  -1.365   2.109   2.723
  113    HH   TYR  13           HH       TYR  13  -3.106   2.050   4.384
  114    H    ARG  14           HN       ARG  14  -0.187   3.559  -2.841
  115    HA   ARG  14           HA       ARG  14   0.796   0.832  -2.457
  116    HB2  ARG  14          2HB       ARG  14   1.385   1.946  -4.554
  117    HB3  ARG  14          1HB       ARG  14   2.150   3.248  -3.654
  118    HG2  ARG  14          2HG       ARG  14   3.725   1.572  -2.721
  119    HG3  ARG  14          1HG       ARG  14   3.019   0.369  -3.808
  120    HD2  ARG  14          2HD       ARG  14   5.017   1.298  -4.814
  121    HD3  ARG  14          1HD       ARG  14   3.595   1.819  -5.718
  122    HE   ARG  14           HE       ARG  14   4.580   3.594  -3.643
  123   HH11  ARG  14          1HH1      ARG  14   4.422   2.900  -7.114
  124   HH12  ARG  14          2HH1      ARG  14   4.851   4.474  -7.580
  125   HH21  ARG  14          1HH2      ARG  14   5.140   5.747  -4.284
  126   HH22  ARG  14          2HH2      ARG  14   5.239   6.154  -5.924
  127    H    LYS  15           HN       LYS  15   1.901   0.335  -0.717
  128    HA   LYS  15           HA       LYS  15   2.874   2.475   1.053
  129    HB2  LYS  15          2HB       LYS  15   2.276  -0.434   1.621
  130    HB3  LYS  15          1HB       LYS  15   2.981   0.691   2.767
  131    HG2  LYS  15          2HG       LYS  15   0.952   2.011   2.753
  132    HG3  LYS  15          1HG       LYS  15   0.253   0.945   1.533
  133    HD2  LYS  15          2HD       LYS  15  -0.607   0.351   3.732
  134    HD3  LYS  15          1HD       LYS  15   0.410  -0.937   3.105
  135    HE2  LYS  15          2HE       LYS  15   0.883  -0.598   5.454
  136    HE3  LYS  15          1HE       LYS  15   2.277  -0.121   4.499
  137    HZ1  LYS  15          1HZ       LYS  15   0.259   1.694   5.693
  138    HZ2  LYS  15          2HZ       LYS  15   1.546   2.198   4.742
  139    HZ3  LYS  15          3HZ       LYS  15   1.847   1.486   6.236
  140    H    CYS  16           HN       CYS  16   5.030   2.656   1.209
  141    HA   CYS  16           HA       CYS  16   6.588   0.443   0.152
  142    HB2  CYS  16          2HB       CYS  16   7.290   3.374   0.378
  143    HB3  CYS  16          1HB       CYS  16   8.444   2.125  -0.087
  144    H    ARG  17           HN       ARG  17   7.744  -0.699   1.416
  145    HA   ARG  17           HA       ARG  17   7.621  -0.075   4.239
  146    HB2  ARG  17          2HB       ARG  17   8.231  -2.473   4.562
  147    HB3  ARG  17          1HB       ARG  17   6.761  -2.242   3.638
  148    HG2  ARG  17          2HG       ARG  17   8.163  -2.581   1.554
  149    HG3  ARG  17          1HG       ARG  17   9.471  -3.074   2.621
  150    HD2  ARG  17          2HD       ARG  17   6.762  -4.372   2.356
  151    HD3  ARG  17          1HD       ARG  17   8.295  -5.011   1.779
  152    HE   ARG  17           HE       ARG  17   8.612  -4.616   4.462
  153   HH11  ARG  17          1HH1      ARG  17   6.553  -6.611   2.369
  154   HH12  ARG  17          2HH1      ARG  17   6.254  -7.806   3.549
  155   HH21  ARG  17          1HH2      ARG  17   8.164  -6.287   6.096
  156   HH22  ARG  17          2HH2      ARG  17   7.186  -7.615   5.693
  157    HN1  NH2  18          1H        ARG  17   9.181   1.327   4.662
  158    HN2  NH2  18          2H        ARG  17  10.870   1.051   4.403
  Start of MODEL    9
    1    H1   LYS   1          1HT       LYS   1  11.761   0.361  -4.122
    2    H2   LYS   1          2HT       LYS   1  12.616  -1.079  -4.281
    3    H3   LYS   1          3HT       LYS   1  13.401   0.277  -3.672
    4    HA   LYS   1           HA       LYS   1  12.833  -1.320  -1.963
    5    HB2  LYS   1          2HB       LYS   1  11.117   1.178  -1.840
    6    HB3  LYS   1          1HB       LYS   1  11.475   0.137  -0.478
    7    HG2  LYS   1          2HG       LYS   1  13.454   1.801  -2.028
    8    HG3  LYS   1          1HG       LYS   1  12.846   2.122  -0.404
    9    HD2  LYS   1          2HD       LYS   1  13.816  -0.060   0.314
   10    HD3  LYS   1          1HD       LYS   1  14.547  -0.213  -1.276
   11    HE2  LYS   1          2HE       LYS   1  16.209   0.661   0.222
   12    HE3  LYS   1          1HE       LYS   1  15.727   1.939  -0.886
   13    HZ1  LYS   1          1HZ       LYS   1  14.793   1.643   1.924
   14    HZ2  LYS   1          2HZ       LYS   1  14.292   2.842   0.855
   15    HZ3  LYS   1          3HZ       LYS   1  15.890   2.780   1.340
   16    H    TRP   2           HN       TRP   2  11.123  -2.349  -0.753
   17    HA   TRP   2           HA       TRP   2   9.163  -3.471  -2.471
   18    HB2  TRP   2          2HB       TRP   2  10.234  -4.850  -0.778
   19    HB3  TRP   2          1HB       TRP   2   9.639  -3.790   0.493
   20    HD1  TRP   2          1HD       TRP   2   7.333  -4.293   1.456
   21    HE1  TRP   2          1HE       TRP   2   5.459  -6.032   0.948
   22    HE3  TRP   2          3HE       TRP   2   9.136  -6.182  -2.917
   23    HZ2  TRP   2          2HZ       TRP   2   4.860  -7.915  -1.031
   24    HZ3  TRP   2          3HZ       TRP   2   7.850  -7.945  -4.061
   25    HH2  TRP   2          2HH       TRP   2   5.764  -8.790  -3.135
   26    H    CYS   3           HN       CYS   3   7.430  -2.523  -3.002
   27    HA   CYS   3           HA       CYS   3   5.895  -1.106  -0.966
   28    HB2  CYS   3          2HB       CYS   3   6.214  -0.260  -3.856
   29    HB3  CYS   3          1HB       CYS   3   5.251   0.554  -2.630
   30    H    PHE   4           HN       PHE   4   3.884  -1.839  -0.892
   31    HA   PHE   4           HA       PHE   4   3.064  -3.622  -3.044
   32    HB2  PHE   4          2HB       PHE   4   1.664  -4.722  -1.253
   33    HB3  PHE   4          1HB       PHE   4   3.396  -5.070  -1.229
   34    HD1  PHE   4          1HD       PHE   4   0.562  -3.832   0.606
   35    HD2  PHE   4          2HD       PHE   4   4.807  -3.848   0.511
   36    HE1  PHE   4          1HE       PHE   4   0.618  -3.171   2.975
   37    HE2  PHE   4          2HE       PHE   4   4.871  -3.178   2.873
   38    HZ   PHE   4           HZ       PHE   4   2.775  -2.841   4.112
   39    H    ARG   5           HN       ARG   5   0.936  -3.705  -3.613
   40    HA   ARG   5           HA       ARG   5  -0.369  -1.179  -3.392
   41    HB2  ARG   5          2HB       ARG   5  -0.434  -2.361  -5.537
   42    HB3  ARG   5          1HB       ARG   5  -1.233  -3.730  -4.778
   43    HG2  ARG   5          2HG       ARG   5  -3.157  -2.226  -4.246
   44    HG3  ARG   5          1HG       ARG   5  -2.367  -0.966  -5.190
   45    HD2  ARG   5          2HD       ARG   5  -3.182  -3.678  -6.246
   46    HD3  ARG   5          1HD       ARG   5  -4.106  -2.196  -6.455
   47    HE   ARG   5           HE       ARG   5  -1.631  -1.630  -7.449
   48   HH11  ARG   5          1HH1      ARG   5  -4.121  -4.068  -8.167
   49   HH12  ARG   5          2HH1      ARG   5  -3.716  -4.162  -9.822
   50   HH21  ARG   5          1HH2      ARG   5  -1.110  -1.791  -9.756
   51   HH22  ARG   5          2HH2      ARG   5  -2.020  -2.857 -10.724
   52    H    VAL   6           HN       VAL   6  -1.638  -0.687  -1.783
   53    HA   VAL   6           HA       VAL   6  -3.068  -2.829  -0.373
   54    HB   VAL   6           HB       VAL   6  -2.523   0.008   0.560
   55   HG11  VAL   6          1HG1      VAL   6  -4.547  -0.937   1.528
   56   HG12  VAL   6          2HG1      VAL   6  -3.288  -0.793   2.753
   57   HG13  VAL   6          3HG1      VAL   6  -3.652  -2.367   2.046
   58   HG21  VAL   6          1HG2      VAL   6  -1.190  -2.554   1.404
   59   HG22  VAL   6          2HG2      VAL   6  -0.931  -0.968   2.133
   60   HG23  VAL   6          3HG2      VAL   6  -0.455  -1.261   0.458
   61    H    CYS   7           HN       CYS   7  -5.137  -2.925  -0.894
   62    HA   CYS   7           HA       CYS   7  -6.422  -0.450  -1.726
   63    HB2  CYS   7          2HB       CYS   7  -7.128  -3.328  -2.331
   64    HB3  CYS   7          1HB       CYS   7  -8.199  -1.972  -2.670
   65    H    TYR   8           HN       TYR   8  -7.335   0.450  -0.175
   66    HA   TYR   8           HA       TYR   8  -8.475  -1.184   1.969
   67    HB2  TYR   8          2HB       TYR   8  -6.467   0.329   2.425
   68    HB3  TYR   8          1HB       TYR   8  -7.552   1.676   2.131
   69    HD1  TYR   8          1HD       TYR   8  -6.542  -0.924   4.419
   70    HD2  TYR   8          2HD       TYR   8  -9.405   2.135   3.730
   71    HE1  TYR   8          1HE       TYR   8  -7.177  -1.021   6.753
   72    HE2  TYR   8          2HE       TYR   8 -10.061   2.052   6.098
   73    HH   TYR   8           HH       TYR   8  -8.211   0.424   8.432
   74    H    ARG   9           HN       ARG   9 -10.517  -1.361   1.202
   75    HA   ARG   9           HA       ARG   9 -12.674  -0.848   0.825
   76    HB2  ARG   9          2HB       ARG   9 -11.973   1.777   2.170
   77    HB3  ARG   9          1HB       ARG   9 -13.599   1.145   1.937
   78    HG2  ARG   9          2HG       ARG   9 -13.029  -0.782   3.368
   79    HG3  ARG   9          1HG       ARG   9 -11.434  -0.088   3.628
   80    HD2  ARG   9          2HD       ARG   9 -12.856   0.429   5.506
   81    HD3  ARG   9          1HD       ARG   9 -12.497   1.906   4.616
   82    HE   ARG   9           HE       ARG   9 -14.885   0.799   3.661
   83   HH11  ARG   9          1HH1      ARG   9 -13.640   2.467   6.518
   84   HH12  ARG   9          2HH1      ARG   9 -15.137   3.156   6.939
   85   HH21  ARG   9          1HH2      ARG   9 -16.944   1.714   4.258
   86   HH22  ARG   9          2HH2      ARG   9 -17.079   2.698   5.639
   87    H    GLY  10           HN       GLY  10 -10.836  -0.369  -1.227
   88    HA2  GLY  10          2HA       GLY  10 -11.381   0.292  -3.450
   89    HA3  GLY  10          1HA       GLY  10 -12.335   1.610  -2.786
   90    H    ILE  11           HN       ILE  11 -10.000   2.116  -0.894
   91    HA   ILE  11           HA       ILE  11  -8.666   3.997  -2.635
   92    HB   ILE  11           HB       ILE  11  -8.092   3.403   0.288
   93   HG12  ILE  11          2HG1      ILE  11 -10.441   4.077   0.078
   94   HG13  ILE  11          1HG1      ILE  11  -9.506   5.346   0.855
   95   HG21  ILE  11          1HG2      ILE  11  -7.113   5.656   0.341
   96   HG22  ILE  11          2HG2      ILE  11  -7.436   5.826  -1.384
   97   HG23  ILE  11          3HG2      ILE  11  -6.296   4.608  -0.819
   98   HD11  ILE  11          1HD1      ILE  11 -10.416   5.305  -2.012
   99   HD12  ILE  11          2HD1      ILE  11  -9.464   6.585  -1.252
  100   HD13  ILE  11          3HD1      ILE  11 -11.107   6.261  -0.702
  101    H    CYS  12           HN       CYS  12  -7.284   2.944  -3.975
  102    HA   CYS  12           HA       CYS  12  -5.481   0.950  -2.826
  103    HB2  CYS  12          2HB       CYS  12  -6.094   1.601  -5.708
  104    HB3  CYS  12          1HB       CYS  12  -4.959   0.364  -5.174
  105    H    TYR  13           HN       TYR  13  -3.499   1.407  -2.377
  106    HA   TYR  13           HA       TYR  13  -2.087   3.478  -3.860
  107    HB2  TYR  13          2HB       TYR  13  -1.242   4.499  -1.758
  108    HB3  TYR  13          1HB       TYR  13  -2.977   4.677  -1.968
  109    HD1  TYR  13          1HD       TYR  13  -4.541   3.424  -0.523
  110    HD2  TYR  13          2HD       TYR  13  -0.330   3.225   0.118
  111    HE1  TYR  13          1HE       TYR  13  -4.920   2.558   1.740
  112    HE2  TYR  13          2HE       TYR  13  -0.713   2.366   2.358
  113    HH   TYR  13           HH       TYR  13  -2.480   2.464   4.037
  114    H    ARG  14           HN       ARG  14   0.291   3.476  -3.188
  115    HA   ARG  14           HA       ARG  14   1.103   0.696  -2.802
  116    HB2  ARG  14          2HB       ARG  14   2.534   3.020  -4.116
  117    HB3  ARG  14          1HB       ARG  14   3.353   1.540  -3.676
  118    HG2  ARG  14          2HG       ARG  14   2.822   1.569  -6.045
  119    HG3  ARG  14          1HG       ARG  14   1.946   0.288  -5.228
  120    HD2  ARG  14          2HD       ARG  14   0.606   1.539  -6.913
  121    HD3  ARG  14          1HD       ARG  14  -0.092   1.532  -5.295
  122    HE   ARG  14           HE       ARG  14   1.496   3.826  -5.629
  123   HH11  ARG  14          1HH1      ARG  14  -1.589   2.512  -6.810
  124   HH12  ARG  14          2HH1      ARG  14  -2.326   4.032  -6.974
  125   HH21  ARG  14          1HH2      ARG  14   0.442   5.886  -5.795
  126   HH22  ARG  14          2HH2      ARG  14  -1.157   6.003  -6.355
  127    H    LYS  15           HN       LYS  15   1.666   0.262  -0.874
  128    HA   LYS  15           HA       LYS  15   2.607   2.398   0.872
  129    HB2  LYS  15          2HB       LYS  15   0.671   1.040   1.578
  130    HB3  LYS  15          1HB       LYS  15   1.664  -0.398   1.482
  131    HG2  LYS  15          2HG       LYS  15   3.071   0.405   3.275
  132    HG3  LYS  15          1HG       LYS  15   2.154   1.913   3.344
  133    HD2  LYS  15          2HD       LYS  15   0.157   0.717   3.974
  134    HD3  LYS  15          1HD       LYS  15   0.985  -0.828   3.794
  135    HE2  LYS  15          2HE       LYS  15   2.526  -0.183   5.587
  136    HE3  LYS  15          1HE       LYS  15   1.674   1.348   5.762
  137    HZ1  LYS  15          1HZ       LYS  15  -0.319   0.120   6.390
  138    HZ2  LYS  15          2HZ       LYS  15   0.956  -0.248   7.422
  139    HZ3  LYS  15          3HZ       LYS  15   0.501  -1.347   6.234
  140    H    CYS  16           HN       CYS  16   4.689   2.553   1.138
  141    HA   CYS  16           HA       CYS  16   6.396   0.223   0.646
  142    HB2  CYS  16          2HB       CYS  16   7.159   3.139   0.958
  143    HB3  CYS  16          1HB       CYS  16   8.207   1.829   0.435
  144    H    ARG  17           HN       ARG  17   7.831  -0.404   2.306
  145    HA   ARG  17           HA       ARG  17   6.912   0.322   4.944
  146    HB2  ARG  17          2HB       ARG  17   9.224  -1.459   4.162
  147    HB3  ARG  17          1HB       ARG  17   8.547  -1.309   5.771
  148    HG2  ARG  17          2HG       ARG  17   6.416  -2.243   4.908
  149    HG3  ARG  17          1HG       ARG  17   7.202  -2.479   3.345
  150    HD2  ARG  17          2HD       ARG  17   8.027  -3.714   5.970
  151    HD3  ARG  17          1HD       ARG  17   7.257  -4.547   4.619
  152    HE   ARG  17           HE       ARG  17   9.504  -3.433   3.561
  153   HH11  ARG  17          1HH1      ARG  17   8.911  -5.670   6.226
  154   HH12  ARG  17          2HH1      ARG  17  10.406  -6.467   6.102
  155   HH21  ARG  17          1HH2      ARG  17  11.590  -4.491   3.381
  156   HH22  ARG  17          2HH2      ARG  17  11.971  -5.786   4.404
  157    HN1  NH2  18          1H        ARG  17   7.443   2.431   5.202
  158    HN2  NH2  18          2H        ARG  17   9.066   3.020   5.295
  Start of MODEL   10
    1    H1   LYS   1          1HT       LYS   1  14.001  -0.412  -1.085
    2    H2   LYS   1          2HT       LYS   1  12.654  -1.299  -0.546
    3    H3   LYS   1          3HT       LYS   1  12.431   0.167  -1.303
    4    HA   LYS   1           HA       LYS   1  13.181  -0.599  -3.345
    5    HB2  LYS   1          2HB       LYS   1  13.779  -3.103  -1.804
    6    HB3  LYS   1          1HB       LYS   1  13.542  -3.153  -3.538
    7    HG2  LYS   1          2HG       LYS   1  15.607  -1.444  -2.153
    8    HG3  LYS   1          1HG       LYS   1  15.932  -3.034  -2.834
    9    HD2  LYS   1          2HD       LYS   1  14.948  -0.620  -4.365
   10    HD3  LYS   1          1HD       LYS   1  16.607  -1.209  -4.330
   11    HE2  LYS   1          2HE       LYS   1  15.902  -3.312  -5.364
   12    HE3  LYS   1          1HE       LYS   1  14.226  -2.764  -5.368
   13    HZ1  LYS   1          1HZ       LYS   1  14.878  -0.978  -6.862
   14    HZ2  LYS   1          2HZ       LYS   1  15.249  -2.493  -7.505
   15    HZ3  LYS   1          3HZ       LYS   1  16.471  -1.543  -6.864
   16    H    TRP   2           HN       TRP   2  11.458  -3.035  -1.367
   17    HA   TRP   2           HA       TRP   2   9.524  -3.354  -3.446
   18    HB2  TRP   2          2HB       TRP   2   9.711  -4.530  -0.671
   19    HB3  TRP   2          1HB       TRP   2   8.448  -4.930  -1.825
   20    HD1  TRP   2          1HD       TRP   2   9.119  -6.455  -3.903
   21    HE1  TRP   2          1HE       TRP   2  11.143  -7.988  -4.342
   22    HE3  TRP   2          3HE       TRP   2  12.241  -4.795  -0.199
   23    HZ2  TRP   2          2HZ       TRP   2  13.702  -8.442  -3.260
   24    HZ3  TRP   2          3HZ       TRP   2  14.449  -5.835   0.021
   25    HH2  TRP   2          2HH       TRP   2  15.159  -7.623  -1.477
   26    H    CYS   3           HN       CYS   3   7.496  -2.667  -3.523
   27    HA   CYS   3           HA       CYS   3   6.363  -1.258  -1.232
   28    HB2  CYS   3          2HB       CYS   3   6.240  -0.346  -4.125
   29    HB3  CYS   3          1HB       CYS   3   5.328   0.372  -2.809
   30    H    PHE   4           HN       PHE   4   4.106  -1.538  -1.090
   31    HA   PHE   4           HA       PHE   4   3.037  -3.490  -2.964
   32    HB2  PHE   4          2HB       PHE   4   1.731  -4.420  -1.012
   33    HB3  PHE   4          1HB       PHE   4   3.452  -4.795  -1.024
   34    HD1  PHE   4          1HD       PHE   4   4.961  -3.525   0.542
   35    HD2  PHE   4          2HD       PHE   4   0.722  -3.287   0.792
   36    HE1  PHE   4          1HE       PHE   4   5.155  -2.675   2.832
   37    HE2  PHE   4          2HE       PHE   4   0.910  -2.429   3.083
   38    HZ   PHE   4           HZ       PHE   4   3.126  -2.122   4.111
   39    H    ARG   5           HN       ARG   5   0.754  -3.500  -3.129
   40    HA   ARG   5           HA       ARG   5  -0.256  -0.776  -2.947
   41    HB2  ARG   5          2HB       ARG   5  -0.289  -1.838  -5.145
   42    HB3  ARG   5          1HB       ARG   5  -1.251  -3.162  -4.511
   43    HG2  ARG   5          2HG       ARG   5  -3.089  -1.596  -4.063
   44    HG3  ARG   5          1HG       ARG   5  -2.118  -0.283  -4.738
   45    HD2  ARG   5          2HD       ARG   5  -3.694  -1.135  -6.396
   46    HD3  ARG   5          1HD       ARG   5  -2.033  -1.457  -6.884
   47    HE   ARG   5           HE       ARG   5  -3.324  -3.602  -5.452
   48   HH11  ARG   5          1HH1      ARG   5  -2.612  -2.269  -8.651
   49   HH12  ARG   5          2HH1      ARG   5  -2.895  -3.739  -9.472
   50   HH21  ARG   5          1HH2      ARG   5  -3.673  -5.575  -6.555
   51   HH22  ARG   5          2HH2      ARG   5  -3.512  -5.678  -8.250
   52    H    VAL   6           HN       VAL   6  -1.577  -0.320  -1.333
   53    HA   VAL   6           HA       VAL   6  -2.959  -2.518  -0.001
   54    HB   VAL   6           HB       VAL   6  -2.602   0.351   0.921
   55   HG11  VAL   6          1HG1      VAL   6  -3.610  -2.064   2.437
   56   HG12  VAL   6          2HG1      VAL   6  -4.602  -0.735   1.845
   57   HG13  VAL   6          3HG1      VAL   6  -3.398  -0.442   3.095
   58   HG21  VAL   6          1HG2      VAL   6  -0.990  -0.533   2.541
   59   HG22  VAL   6          2HG2      VAL   6  -0.460  -0.799   0.878
   60   HG23  VAL   6          3HG2      VAL   6  -1.143  -2.131   1.811
   61    H    CYS   7           HN       CYS   7  -5.004  -2.748  -0.500
   62    HA   CYS   7           HA       CYS   7  -6.436  -0.447  -1.564
   63    HB2  CYS   7          2HB       CYS   7  -6.911  -3.413  -1.919
   64    HB3  CYS   7          1HB       CYS   7  -8.010  -2.161  -2.492
   65    H    TYR   8           HN       TYR   8  -7.510   0.493  -0.122
   66    HA   TYR   8           HA       TYR   8  -8.682  -1.088   2.053
   67    HB2  TYR   8          2HB       TYR   8  -6.674   0.429   2.566
   68    HB3  TYR   8          1HB       TYR   8  -7.745   1.775   2.218
   69    HD1  TYR   8          1HD       TYR   8  -9.607   2.295   3.756
   70    HD2  TYR   8          2HD       TYR   8  -6.866  -0.841   4.558
   71    HE1  TYR   8          1HE       TYR   8 -10.347   2.240   6.088
   72    HE2  TYR   8          2HE       TYR   8  -7.593  -0.916   6.874
   73    HH   TYR   8           HH       TYR   8 -10.402   0.593   7.954
   74    H    ARG   9           HN       ARG   9 -10.762  -1.205   1.450
   75    HA   ARG   9           HA       ARG   9 -12.899  -0.640   1.016
   76    HB2  ARG   9          2HB       ARG   9 -11.975   2.121   1.846
   77    HB3  ARG   9          1HB       ARG   9 -13.652   1.692   1.562
   78    HG2  ARG   9          2HG       ARG   9 -11.881   0.449   3.670
   79    HG3  ARG   9          1HG       ARG   9 -13.053   1.734   3.961
   80    HD2  ARG   9          2HD       ARG   9 -14.849   0.254   3.194
   81    HD3  ARG   9          1HD       ARG   9 -13.678  -1.033   2.925
   82    HE   ARG   9           HE       ARG   9 -13.315  -0.348   5.522
   83   HH11  ARG   9          1HH1      ARG   9 -16.182  -1.279   3.652
   84   HH12  ARG   9          2HH1      ARG   9 -16.956  -2.078   4.938
   85   HH21  ARG   9          1HH2      ARG   9 -14.373  -1.485   7.303
   86   HH22  ARG   9          2HH2      ARG   9 -15.889  -2.224   7.048
   87    H    GLY  10           HN       GLY  10 -10.986  -0.690  -1.077
   88    HA2  GLY  10          2HA       GLY  10 -11.464  -0.559  -3.385
   89    HA3  GLY  10          1HA       GLY  10 -12.522   0.807  -3.061
   90    H    ILE  11           HN       ILE  11 -10.308   1.887  -1.311
   91    HA   ILE  11           HA       ILE  11  -9.061   3.404  -3.435
   92    HB   ILE  11           HB       ILE  11  -8.778   3.712  -0.435
   93   HG12  ILE  11          2HG1      ILE  11 -11.122   4.000  -1.035
   94   HG13  ILE  11          1HG1      ILE  11 -10.424   5.560  -0.630
   95   HG21  ILE  11          1HG2      ILE  11  -6.970   4.766  -1.665
   96   HG22  ILE  11          2HG2      ILE  11  -8.020   5.992  -0.953
   97   HG23  ILE  11          3HG2      ILE  11  -8.132   5.628  -2.674
   98   HD11  ILE  11          1HD1      ILE  11 -11.908   5.726  -2.533
   99   HD12  ILE  11          2HD1      ILE  11 -10.968   4.519  -3.400
  100   HD13  ILE  11          3HD1      ILE  11 -10.250   6.086  -3.019
  101    H    CYS  12           HN       CYS  12  -7.335   2.568  -4.296
  102    HA   CYS  12           HA       CYS  12  -5.558   0.913  -2.671
  103    HB2  CYS  12          2HB       CYS  12  -5.768   1.185  -5.661
  104    HB3  CYS  12          1HB       CYS  12  -4.666   0.107  -4.810
  105    H    TYR  13           HN       TYR  13  -3.725   1.643  -2.039
  106    HA   TYR  13           HA       TYR  13  -2.435   3.779  -3.544
  107    HB2  TYR  13          2HB       TYR  13  -1.724   4.806  -1.370
  108    HB3  TYR  13          1HB       TYR  13  -3.445   4.892  -1.714
  109    HD1  TYR  13          1HD       TYR  13  -5.049   3.880  -0.287
  110    HD2  TYR  13          2HD       TYR  13  -0.895   3.226   0.416
  111    HE1  TYR  13          1HE       TYR  13  -5.577   2.954   1.908
  112    HE2  TYR  13          2HE       TYR  13  -1.416   2.301   2.618
  113    HH   TYR  13           HH       TYR  13  -3.202   2.437   4.272
  114    H    ARG  14           HN       ARG  14  -0.137   3.902  -3.154
  115    HA   ARG  14           HA       ARG  14   0.916   1.236  -2.720
  116    HB2  ARG  14          2HB       ARG  14   3.065   2.140  -3.566
  117    HB3  ARG  14          1HB       ARG  14   1.755   2.383  -4.709
  118    HG2  ARG  14          2HG       ARG  14   1.586   4.719  -4.061
  119    HG3  ARG  14          1HG       ARG  14   2.812   4.461  -2.818
  120    HD2  ARG  14          2HD       ARG  14   3.299   4.046  -5.760
  121    HD3  ARG  14          1HD       ARG  14   3.646   5.553  -4.918
  122    HE   ARG  14           HE       ARG  14   4.910   3.548  -3.506
  123   HH11  ARG  14          1HH1      ARG  14   5.151   4.978  -6.726
  124   HH12  ARG  14          2HH1      ARG  14   6.798   4.623  -6.934
  125   HH21  ARG  14          1HH2      ARG  14   7.188   3.056  -3.786
  126   HH22  ARG  14          2HH2      ARG  14   7.974   3.473  -5.238
  127    H    LYS  15           HN       LYS  15   2.070   0.664  -1.030
  128    HA   LYS  15           HA       LYS  15   2.920   2.779   0.784
  129    HB2  LYS  15          2HB       LYS  15   0.958   1.563   1.713
  130    HB3  LYS  15          1HB       LYS  15   1.850   0.055   1.573
  131    HG2  LYS  15          2HG       LYS  15   3.497   0.863   3.174
  132    HG3  LYS  15          1HG       LYS  15   2.639   2.398   3.292
  133    HD2  LYS  15          2HD       LYS  15   0.689   1.261   4.193
  134    HD3  LYS  15          1HD       LYS  15   1.494  -0.298   4.023
  135    HE2  LYS  15          2HE       LYS  15   3.259   0.491   5.575
  136    HE3  LYS  15          1HE       LYS  15   2.373   1.996   5.781
  137    HZ1  LYS  15          1HZ       LYS  15   0.517   0.720   6.695
  138    HZ2  LYS  15          2HZ       LYS  15   1.929   0.505   7.585
  139    HZ3  LYS  15          3HZ       LYS  15   1.407  -0.711   6.544
  140    H    CYS  16           HN       CYS  16   4.991   2.727   1.170
  141    HA   CYS  16           HA       CYS  16   6.492   0.331   0.414
  142    HB2  CYS  16          2HB       CYS  16   7.390   3.221   0.497
  143    HB3  CYS  16          1HB       CYS  16   8.347   1.846  -0.043
  144    H    ARG  17           HN       ARG  17   7.614  -0.610   2.024
  145    HA   ARG  17           HA       ARG  17   8.594  -1.030   3.975
  146    HB2  ARG  17          2HB       ARG  17   8.535   1.971   4.414
  147    HB3  ARG  17          1HB       ARG  17   9.333   0.828   5.477
  148    HG2  ARG  17          2HG       ARG  17  10.888   0.230   3.733
  149    HG3  ARG  17          1HG       ARG  17  10.027   1.255   2.582
  150    HD2  ARG  17          2HD       ARG  17  12.044   2.339   3.435
  151    HD3  ARG  17          1HD       ARG  17  10.591   3.222   3.891
  152    HE   ARG  17           HE       ARG  17  11.003   1.686   6.045
  153   HH11  ARG  17          1HH1      ARG  17  13.181   3.788   4.215
  154   HH12  ARG  17          2HH1      ARG  17  14.178   4.154   5.539
  155   HH21  ARG  17          1HH2      ARG  17  12.374   2.220   7.903
  156   HH22  ARG  17          2HH2      ARG  17  13.702   3.271   7.669
  157    HN1  NH2  18          1H        ARG  17   6.774  -2.149   4.542
  158    HN2  NH2  18          2H        ARG  17   5.639  -1.539   5.702
  Start of MODEL   11
    1    H1   LYS   1          1HT       LYS   1  13.989  -2.274  -3.217
    2    H2   LYS   1          2HT       LYS   1  13.817  -3.650  -2.271
    3    H3   LYS   1          3HT       LYS   1  14.904  -2.451  -1.796
    4    HA   LYS   1           HA       LYS   1  12.850  -2.441  -0.525
    5    HB2  LYS   1          2HB       LYS   1  13.224  -0.070  -2.375
    6    HB3  LYS   1          1HB       LYS   1  12.214  -0.045  -0.940
    7    HG2  LYS   1          2HG       LYS   1  15.202  -0.473  -0.996
    8    HG3  LYS   1          1HG       LYS   1  14.367   1.003  -0.516
    9    HD2  LYS   1          2HD       LYS   1  13.294  -0.181   1.331
   10    HD3  LYS   1          1HD       LYS   1  14.087  -1.673   0.844
   11    HE2  LYS   1          2HE       LYS   1  16.267  -0.673   1.285
   12    HE3  LYS   1          1HE       LYS   1  15.480   0.836   1.749
   13    HZ1  LYS   1          1HZ       LYS   1  14.432  -0.313   3.594
   14    HZ2  LYS   1          2HZ       LYS   1  16.102  -0.528   3.670
   15    HZ3  LYS   1          3HZ       LYS   1  15.113  -1.770   3.119
   16    H    TRP   2           HN       TRP   2  10.691  -2.671  -0.472
   17    HA   TRP   2           HA       TRP   2   9.483  -3.054  -3.103
   18    HB2  TRP   2          2HB       TRP   2   8.828  -4.368  -0.475
   19    HB3  TRP   2          1HB       TRP   2   7.858  -4.526  -1.930
   20    HD1  TRP   2          1HD       TRP   2  10.815  -5.978  -0.198
   21    HE1  TRP   2          1HE       TRP   2  11.873  -7.825  -1.657
   22    HE3  TRP   2          3HE       TRP   2   8.350  -5.055  -4.574
   23    HZ2  TRP   2          2HZ       TRP   2  11.688  -8.749  -4.318
   24    HZ3  TRP   2          3HZ       TRP   2   8.849  -6.460  -6.526
   25    HH2  TRP   2          2HH       TRP   2  10.484  -8.265  -6.397
   26    H    CYS   3           HN       CYS   3   7.516  -2.261  -3.549
   27    HA   CYS   3           HA       CYS   3   6.147  -0.750  -1.483
   28    HB2  CYS   3          2HB       CYS   3   6.484   0.020  -4.403
   29    HB3  CYS   3          1HB       CYS   3   5.432   0.844  -3.262
   30    H    PHE   4           HN       PHE   4   4.083  -1.316  -1.321
   31    HA   PHE   4           HA       PHE   4   3.047  -3.201  -3.307
   32    HB2  PHE   4          2HB       PHE   4   1.881  -4.268  -1.327
   33    HB3  PHE   4          1HB       PHE   4   3.607  -4.607  -1.516
   34    HD1  PHE   4          1HD       PHE   4   5.222  -3.386   0.005
   35    HD2  PHE   4          2HD       PHE   4   1.014  -3.287   0.612
   36    HE1  PHE   4          1HE       PHE   4   5.585  -2.648   2.303
   37    HE2  PHE   4          2HE       PHE   4   1.369  -2.540   2.927
   38    HZ   PHE   4           HZ       PHE   4   3.653  -2.216   3.779
   39    H    ARG   5           HN       ARG   5   0.898  -3.182  -3.713
   40    HA   ARG   5           HA       ARG   5  -0.407  -0.683  -3.098
   41    HB2  ARG   5          2HB       ARG   5  -0.444  -1.551  -5.423
   42    HB3  ARG   5          1HB       ARG   5  -1.384  -2.929  -4.868
   43    HG2  ARG   5          2HG       ARG   5  -3.129  -1.332  -4.077
   44    HG3  ARG   5          1HG       ARG   5  -2.216  -0.039  -4.844
   45    HD2  ARG   5          2HD       ARG   5  -3.943  -0.681  -6.369
   46    HD3  ARG   5          1HD       ARG   5  -2.430  -1.324  -7.000
   47    HE   ARG   5           HE       ARG   5  -3.365  -3.375  -5.564
   48   HH11  ARG   5          1HH1      ARG   5  -4.937  -1.362  -8.015
   49   HH12  ARG   5          2HH1      ARG   5  -5.974  -2.575  -8.574
   50   HH21  ARG   5          1HH2      ARG   5  -4.808  -5.049  -6.302
   51   HH22  ARG   5          2HH2      ARG   5  -5.881  -4.737  -7.584
   52    H    VAL   6           HN       VAL   6  -1.753  -0.482  -1.481
   53    HA   VAL   6           HA       VAL   6  -3.098  -2.868  -0.455
   54    HB   VAL   6           HB       VAL   6  -2.708  -0.208   0.948
   55   HG11  VAL   6          1HG1      VAL   6  -4.613  -1.482   1.745
   56   HG12  VAL   6          2HG1      VAL   6  -3.345  -1.436   2.968
   57   HG13  VAL   6          3HG1      VAL   6  -3.585  -2.892   2.003
   58   HG21  VAL   6          1HG2      VAL   6  -0.990  -1.298   2.322
   59   HG22  VAL   6          2HG2      VAL   6  -0.523  -1.228   0.621
   60   HG23  VAL   6          3HG2      VAL   6  -1.112  -2.739   1.312
   61    H    CYS   7           HN       CYS   7  -5.207  -2.886  -0.803
   62    HA   CYS   7           HA       CYS   7  -6.498  -0.378  -1.547
   63    HB2  CYS   7          2HB       CYS   7  -7.279  -3.222  -2.226
   64    HB3  CYS   7          1HB       CYS   7  -8.218  -1.792  -2.640
   65    H    TYR   8           HN       TYR   8  -7.707   0.443  -0.110
   66    HA   TYR   8           HA       TYR   8  -8.861  -1.334   1.911
   67    HB2  TYR   8          2HB       TYR   8  -6.896   0.287   2.515
   68    HB3  TYR   8          1HB       TYR   8  -8.146   1.525   2.437
   69    HD1  TYR   8          1HD       TYR   8  -9.750   1.750   4.227
   70    HD2  TYR   8          2HD       TYR   8  -7.033  -1.517   4.163
   71    HE1  TYR   8          1HE       TYR   8 -10.351   1.205   6.537
   72    HE2  TYR   8          2HE       TYR   8  -7.620  -2.074   6.454
   73    HH   TYR   8           HH       TYR   8 -10.313  -0.714   8.037
   74    H    ARG   9           HN       ARG   9 -10.847  -1.494   1.084
   75    HA   ARG   9           HA       ARG   9 -13.014  -1.045   0.705
   76    HB2  ARG   9          2HB       ARG   9 -12.374   1.643   1.946
   77    HB3  ARG   9          1HB       ARG   9 -14.000   1.092   1.570
   78    HG2  ARG   9          2HG       ARG   9 -13.708  -0.787   3.123
   79    HG3  ARG   9          1HG       ARG   9 -12.090  -0.203   3.502
   80    HD2  ARG   9          2HD       ARG   9 -14.675   1.269   3.991
   81    HD3  ARG   9          1HD       ARG   9 -13.695   0.463   5.211
   82    HE   ARG   9           HE       ARG   9 -12.724   2.747   3.626
   83   HH11  ARG   9          1HH1      ARG   9 -13.048   1.104   6.768
   84   HH12  ARG   9          2HH1      ARG   9 -12.259   2.337   7.633
   85   HH21  ARG   9          1HH2      ARG   9 -11.633   4.431   4.848
   86   HH22  ARG   9          2HH2      ARG   9 -11.448   4.240   6.531
   87    H    GLY  10           HN       GLY  10 -11.108  -0.665  -1.299
   88    HA2  GLY  10          2HA       GLY  10 -11.654  -0.275  -3.579
   89    HA3  GLY  10          1HA       GLY  10 -12.699   1.045  -3.074
   90    H    ILE  11           HN       ILE  11 -10.544   1.949  -1.207
   91    HA   ILE  11           HA       ILE  11  -9.236   3.666  -3.120
   92    HB   ILE  11           HB       ILE  11  -8.983   3.563  -0.095
   93   HG12  ILE  11          2HG1      ILE  11 -11.260   4.138  -0.765
   94   HG13  ILE  11          1HG1      ILE  11 -10.458   5.540  -0.069
   95   HG21  ILE  11          1HG2      ILE  11  -8.069   5.698  -2.025
   96   HG22  ILE  11          2HG2      ILE  11  -7.030   4.606  -1.113
   97   HG23  ILE  11          3HG2      ILE  11  -8.002   5.812  -0.266
   98   HD11  ILE  11          1HD1      ILE  11 -10.077   6.414  -2.337
   99   HD12  ILE  11          2HD1      ILE  11 -11.788   6.176  -1.984
  100   HD13  ILE  11          3HD1      ILE  11 -10.932   5.020  -3.002
  101    H    CYS  12           HN       CYS  12  -7.567   2.835  -4.135
  102    HA   CYS  12           HA       CYS  12  -5.805   1.007  -2.709
  103    HB2  CYS  12          2HB       CYS  12  -6.050   1.587  -5.666
  104    HB3  CYS  12          1HB       CYS  12  -4.922   0.449  -4.941
  105    H    TYR  13           HN       TYR  13  -3.852   1.516  -2.191
  106    HA   TYR  13           HA       TYR  13  -2.549   3.824  -3.351
  107    HB2  TYR  13          2HB       TYR  13  -1.958   4.651  -1.068
  108    HB3  TYR  13          1HB       TYR  13  -3.682   4.724  -1.413
  109    HD1  TYR  13          1HD       TYR  13  -5.268   3.399  -0.157
  110    HD2  TYR  13          2HD       TYR  13  -1.091   3.017   0.564
  111    HE1  TYR  13          1HE       TYR  13  -5.743   2.179   1.910
  112    HE2  TYR  13          2HE       TYR  13  -1.547   1.788   2.608
  113    HH   TYR  13           HH       TYR  13  -3.496   1.710   4.271
  114    H    ARG  14           HN       ARG  14  -0.188   3.784  -2.571
  115    HA   ARG  14           HA       ARG  14   0.525   0.979  -2.133
  116    HB2  ARG  14          2HB       ARG  14   2.082   3.037  -3.702
  117    HB3  ARG  14          1HB       ARG  14   2.633   1.402  -3.360
  118    HG2  ARG  14          2HG       ARG  14   0.704   0.529  -4.619
  119    HG3  ARG  14          1HG       ARG  14   0.246   2.188  -5.022
  120    HD2  ARG  14          2HD       ARG  14   1.454   1.306  -6.872
  121    HD3  ARG  14          1HD       ARG  14   2.514   2.449  -6.049
  122    HE   ARG  14           HE       ARG  14   2.739  -0.368  -5.364
  123   HH11  ARG  14          1HH1      ARG  14   4.150   2.428  -7.015
  124   HH12  ARG  14          2HH1      ARG  14   5.640   1.656  -7.330
  125   HH21  ARG  14          1HH2      ARG  14   4.816  -1.425  -5.810
  126   HH22  ARG  14          2HH2      ARG  14   6.011  -0.551  -6.654
  127    H    LYS  15           HN       LYS  15   2.103   0.483  -0.741
  128    HA   LYS  15           HA       LYS  15   3.086   2.679   0.904
  129    HB2  LYS  15          2HB       LYS  15   2.133  -0.028   1.678
  130    HB3  LYS  15          1HB       LYS  15   3.359   0.772   2.649
  131    HG2  LYS  15          2HG       LYS  15   1.851   2.695   2.886
  132    HG3  LYS  15          1HG       LYS  15   0.609   1.785   2.022
  133    HD2  LYS  15          2HD       LYS  15   0.510   0.144   3.729
  134    HD3  LYS  15          1HD       LYS  15   1.970   0.765   4.504
  135    HE2  LYS  15          2HE       LYS  15  -0.573   2.298   4.176
  136    HE3  LYS  15          1HE       LYS  15  -0.152   1.422   5.654
  137    HZ1  LYS  15          1HZ       LYS  15   1.296   3.729   4.438
  138    HZ2  LYS  15          2HZ       LYS  15   1.829   2.906   5.801
  139    HZ3  LYS  15          3HZ       LYS  15   0.373   3.752   5.850
  140    H    CYS  16           HN       CYS  16   5.212   2.681   1.399
  141    HA   CYS  16           HA       CYS  16   6.889   0.458   0.470
  142    HB2  CYS  16          2HB       CYS  16   7.646   3.405   0.490
  143    HB3  CYS  16          1HB       CYS  16   8.593   2.079  -0.168
  144    H    ARG  17           HN       ARG  17   7.890  -0.413   2.259
  145    HA   ARG  17           HA       ARG  17   7.681   1.054   4.752
  146    HB2  ARG  17          2HB       ARG  17   8.711  -1.736   4.207
  147    HB3  ARG  17          1HB       ARG  17   8.582  -1.010   5.796
  148    HG2  ARG  17          2HG       ARG  17   6.173  -0.873   5.571
  149    HG3  ARG  17          1HG       ARG  17   6.274  -1.543   3.943
  150    HD2  ARG  17          2HD       ARG  17   7.248  -3.593   4.843
  151    HD3  ARG  17          1HD       ARG  17   7.180  -2.918   6.469
  152    HE   ARG  17           HE       ARG  17   4.623  -2.768   5.659
  153   HH11  ARG  17          1HH1      ARG  17   6.936  -5.455   5.688
  154   HH12  ARG  17          2HH1      ARG  17   5.755  -6.657   5.885
  155   HH21  ARG  17          1HH2      ARG  17   2.999  -4.427   5.963
  156   HH22  ARG  17          2HH2      ARG  17   3.470  -6.054   6.057
  157    HN1  NH2  18          1H        ARG  17   9.142   2.696   4.220
  158    HN2  NH2  18          2H        ARG  17  10.848   2.460   4.375
  Start of MODEL   12
    1    H1   LYS   1          1HT       LYS   1  12.754   0.950  -3.391
    2    H2   LYS   1          2HT       LYS   1  13.562  -0.501  -3.473
    3    H3   LYS   1          3HT       LYS   1  14.131   0.711  -2.443
    4    HA   LYS   1           HA       LYS   1  13.048  -1.042  -1.217
    5    HB2  LYS   1          2HB       LYS   1  11.408   0.322   0.012
    6    HB3  LYS   1          1HB       LYS   1  12.873   1.229  -0.302
    7    HG2  LYS   1          2HG       LYS   1  11.708   2.339  -2.203
    8    HG3  LYS   1          1HG       LYS   1  10.250   1.457  -1.769
    9    HD2  LYS   1          2HD       LYS   1  10.118   3.672  -0.842
   10    HD3  LYS   1          1HD       LYS   1  10.325   2.514   0.465
   11    HE2  LYS   1          2HE       LYS   1  11.701   4.505   0.815
   12    HE3  LYS   1          1HE       LYS   1  12.700   3.073   0.622
   13    HZ1  LYS   1          1HZ       LYS   1  13.220   3.755  -1.624
   14    HZ2  LYS   1          2HZ       LYS   1  13.517   5.043  -0.575
   15    HZ3  LYS   1          3HZ       LYS   1  12.138   5.049  -1.520
   16    H    TRP   2           HN       TRP   2  11.014  -2.071  -0.676
   17    HA   TRP   2           HA       TRP   2   9.512  -2.637  -3.087
   18    HB2  TRP   2          2HB       TRP   2   9.740  -4.088  -0.449
   19    HB3  TRP   2          1HB       TRP   2   8.641  -4.563  -1.739
   20    HD1  TRP   2          1HD       TRP   2  12.426  -4.299  -1.027
   21    HE1  TRP   2          1HE       TRP   2  13.634  -5.948  -2.599
   22    HE3  TRP   2          3HE       TRP   2   8.443  -5.841  -3.817
   23    HZ2  TRP   2          2HZ       TRP   2  12.982  -7.669  -4.717
   24    HZ3  TRP   2          3HZ       TRP   2   8.823  -7.500  -5.598
   25    HH2  TRP   2          2HH       TRP   2  11.054  -8.390  -6.030
   26    H    CYS   3           HN       CYS   3   7.337  -2.430  -3.197
   27    HA   CYS   3           HA       CYS   3   5.988  -1.116  -0.961
   28    HB2  CYS   3          2HB       CYS   3   5.768  -0.224  -3.840
   29    HB3  CYS   3          1HB       CYS   3   5.034   0.535  -2.436
   30    H    PHE   4           HN       PHE   4   4.046  -1.982  -0.618
   31    HA   PHE   4           HA       PHE   4   3.043  -3.815  -2.644
   32    HB2  PHE   4          2HB       PHE   4   1.689  -4.759  -0.743
   33    HB3  PHE   4          1HB       PHE   4   3.418  -5.120  -0.717
   34    HD1  PHE   4          1HD       PHE   4   4.862  -3.846   0.932
   35    HD2  PHE   4          2HD       PHE   4   0.616  -3.651   1.022
   36    HE1  PHE   4          1HE       PHE   4   4.957  -3.010   3.233
   37    HE2  PHE   4          2HE       PHE   4   0.706  -2.805   3.322
   38    HZ   PHE   4           HZ       PHE   4   2.887  -2.480   4.433
   39    H    ARG   5           HN       ARG   5   0.844  -3.893  -3.122
   40    HA   ARG   5           HA       ARG   5  -0.295  -1.259  -2.994
   41    HB2  ARG   5          2HB       ARG   5  -0.266  -2.225  -5.187
   42    HB3  ARG   5          1HB       ARG   5  -1.035  -3.696  -4.611
   43    HG2  ARG   5          2HG       ARG   5  -3.088  -2.443  -4.145
   44    HG3  ARG   5          1HG       ARG   5  -2.317  -0.969  -4.724
   45    HD2  ARG   5          2HD       ARG   5  -2.092  -1.890  -6.925
   46    HD3  ARG   5          1HD       ARG   5  -2.684  -3.453  -6.374
   47    HE   ARG   5           HE       ARG   5  -4.777  -2.111  -5.797
   48   HH11  ARG   5          1HH1      ARG   5  -2.714  -1.373  -8.576
   49   HH12  ARG   5          2HH1      ARG   5  -4.007  -0.903  -9.582
   50   HH21  ARG   5          1HH2      ARG   5  -6.575  -1.369  -7.219
   51   HH22  ARG   5          2HH2      ARG   5  -6.187  -0.896  -8.796
   52    H    VAL   6           HN       VAL   6  -1.722  -0.730  -1.575
   53    HA   VAL   6           HA       VAL   6  -3.210  -2.859  -0.244
   54    HB   VAL   6           HB       VAL   6  -2.703  -0.048   0.741
   55   HG11  VAL   6          1HG1      VAL   6  -3.514  -0.869   2.873
   56   HG12  VAL   6          2HG1      VAL   6  -3.830  -2.453   2.172
   57   HG13  VAL   6          3HG1      VAL   6  -4.744  -1.046   1.625
   58   HG21  VAL   6          1HG2      VAL   6  -1.132  -1.037   2.342
   59   HG22  VAL   6          2HG2      VAL   6  -0.605  -1.277   0.675
   60   HG23  VAL   6          3HG2      VAL   6  -1.342  -2.606   1.565
   61    H    CYS   7           HN       CYS   7  -5.292  -2.889  -0.722
   62    HA   CYS   7           HA       CYS   7  -6.492  -0.425  -1.704
   63    HB2  CYS   7          2HB       CYS   7  -7.279  -3.308  -2.223
   64    HB3  CYS   7          1HB       CYS   7  -8.247  -1.916  -2.711
   65    H    TYR   8           HN       TYR   8  -7.480   0.576  -0.238
   66    HA   TYR   8           HA       TYR   8  -8.675  -0.918   1.988
   67    HB2  TYR   8          2HB       TYR   8  -6.628   0.550   2.392
   68    HB3  TYR   8          1HB       TYR   8  -7.651   1.922   2.003
   69    HD1  TYR   8          1HD       TYR   8  -6.903  -0.691   4.426
   70    HD2  TYR   8          2HD       TYR   8  -9.362   2.673   3.588
   71    HE1  TYR   8          1HE       TYR   8  -7.557  -0.618   6.759
   72    HE2  TYR   8          2HE       TYR   8 -10.043   2.768   5.939
   73    HH   TYR   8           HH       TYR   8 -10.189   1.228   7.837
   74    H    ARG   9           HN       ARG   9 -10.758  -1.036   1.411
   75    HA   ARG   9           HA       ARG   9 -12.927  -0.474   1.037
   76    HB2  ARG   9          2HB       ARG   9 -12.035   2.295   1.864
   77    HB3  ARG   9          1HB       ARG   9 -13.707   1.797   1.685
   78    HG2  ARG   9          2HG       ARG   9 -11.731   0.730   3.697
   79    HG3  ARG   9          1HG       ARG   9 -13.048   1.855   4.023
   80    HD2  ARG   9          2HD       ARG   9 -14.650   0.109   3.280
   81    HD3  ARG   9          1HD       ARG   9 -13.292  -1.002   3.102
   82    HE   ARG   9           HE       ARG   9 -13.524   0.250   5.669
   83   HH11  ARG   9          1HH1      ARG   9 -14.333  -2.624   3.775
   84   HH12  ARG   9          2HH1      ARG   9 -14.755  -3.579   5.111
   85   HH21  ARG   9          1HH2      ARG   9 -14.055  -1.061   7.524
   86   HH22  ARG   9          2HH2      ARG   9 -14.581  -2.663   7.306
   87    H    GLY  10           HN       GLY  10 -10.984  -0.295  -1.136
   88    HA2  GLY  10          2HA       GLY  10 -11.583  -0.046  -3.423
   89    HA3  GLY  10          1HA       GLY  10 -12.640   1.283  -2.970
   90    H    ILE  11           HN       ILE  11 -10.083   2.028  -1.225
   91    HA   ILE  11           HA       ILE  11  -8.905   3.684  -3.314
   92    HB   ILE  11           HB       ILE  11  -8.564   3.772  -0.300
   93   HG12  ILE  11          2HG1      ILE  11 -10.865   4.297  -0.952
   94   HG13  ILE  11          1HG1      ILE  11 -10.048   5.726  -0.341
   95   HG21  ILE  11          1HG2      ILE  11  -7.711   5.760  -2.405
   96   HG22  ILE  11          2HG2      ILE  11  -6.647   4.727  -1.453
   97   HG23  ILE  11          3HG2      ILE  11  -7.583   5.996  -0.661
   98   HD11  ILE  11          1HD1      ILE  11 -10.584   5.071  -3.239
   99   HD12  ILE  11          2HD1      ILE  11  -9.741   6.508  -2.655
  100   HD13  ILE  11          3HD1      ILE  11 -11.441   6.261  -2.259
  101    H    CYS  12           HN       CYS  12  -7.201   2.797  -4.292
  102    HA   CYS  12           HA       CYS  12  -5.531   0.930  -2.792
  103    HB2  CYS  12          2HB       CYS  12  -5.750   1.377  -5.764
  104    HB3  CYS  12          1HB       CYS  12  -4.733   0.176  -4.981
  105    H    TYR  13           HN       TYR  13  -3.650   1.496  -2.142
  106    HA   TYR  13           HA       TYR  13  -2.154   3.553  -3.577
  107    HB2  TYR  13          2HB       TYR  13  -1.362   4.441  -1.379
  108    HB3  TYR  13          1HB       TYR  13  -3.091   4.642  -1.630
  109    HD1  TYR  13          1HD       TYR  13  -4.704   3.419  -0.251
  110    HD2  TYR  13          2HD       TYR  13  -0.515   2.954   0.375
  111    HE1  TYR  13          1HE       TYR  13  -5.150   2.399   1.927
  112    HE2  TYR  13          2HE       TYR  13  -0.958   1.926   2.559
  113    HH   TYR  13           HH       TYR  13  -2.749   1.945   4.258
  114    H    ARG  14           HN       ARG  14   0.230   3.385  -2.980
  115    HA   ARG  14           HA       ARG  14   0.824   0.572  -2.446
  116    HB2  ARG  14          2HB       ARG  14   2.476   2.519  -4.069
  117    HB3  ARG  14          1HB       ARG  14   2.913   0.858  -3.713
  118    HG2  ARG  14          2HG       ARG  14   0.922   0.087  -4.953
  119    HG3  ARG  14          1HG       ARG  14   0.565   1.763  -5.368
  120    HD2  ARG  14          2HD       ARG  14   3.038   0.211  -6.117
  121    HD3  ARG  14          1HD       ARG  14   1.726   0.673  -7.199
  122    HE   ARG  14           HE       ARG  14   2.705   2.977  -6.007
  123   HH11  ARG  14          1HH1      ARG  14   3.705   0.564  -8.382
  124   HH12  ARG  14          2HH1      ARG  14   4.918   1.521  -9.083
  125   HH21  ARG  14          1HH2      ARG  14   4.372   4.332  -6.951
  126   HH22  ARG  14          2HH2      ARG  14   5.306   3.733  -8.242
  127    H    LYS  15           HN       LYS  15   1.540   0.271  -0.569
  128    HA   LYS  15           HA       LYS  15   2.680   2.464   0.951
  129    HB2  LYS  15          2HB       LYS  15   0.810   1.070   1.833
  130    HB3  LYS  15          1HB       LYS  15   1.865  -0.325   1.776
  131    HG2  LYS  15          2HG       LYS  15   3.296   0.631   3.452
  132    HG3  LYS  15          1HG       LYS  15   2.347   2.126   3.455
  133    HD2  LYS  15          2HD       LYS  15   0.375   0.840   4.181
  134    HD3  LYS  15          1HD       LYS  15   1.357  -0.621   4.224
  135    HE2  LYS  15          2HE       LYS  15   2.766   0.351   5.943
  136    HE3  LYS  15          1HE       LYS  15   1.852   1.856   5.876
  137    HZ1  LYS  15          1HZ       LYS  15   1.124   0.531   7.719
  138    HZ2  LYS  15          2HZ       LYS  15   0.877  -0.795   6.746
  139    HZ3  LYS  15          3HZ       LYS  15  -0.127   0.564   6.589
  140    H    CYS  16           HN       CYS  16   4.814   2.627   1.108
  141    HA   CYS  16           HA       CYS  16   6.458   0.372   0.259
  142    HB2  CYS  16          2HB       CYS  16   7.152   3.280   0.681
  143    HB3  CYS  16          1HB       CYS  16   8.250   2.044   0.081
  144    H    ARG  17           HN       ARG  17   7.677  -0.708   1.615
  145    HA   ARG  17           HA       ARG  17   7.514   0.069   4.405
  146    HB2  ARG  17          2HB       ARG  17   8.251  -2.259   4.902
  147    HB3  ARG  17          1HB       ARG  17   6.738  -2.152   4.028
  148    HG2  ARG  17          2HG       ARG  17   7.952  -2.727   1.947
  149    HG3  ARG  17          1HG       ARG  17   9.428  -2.912   2.900
  150    HD2  ARG  17          2HD       ARG  17   8.293  -4.626   4.262
  151    HD3  ARG  17          1HD       ARG  17   6.871  -4.469   3.240
  152    HE   ARG  17           HE       ARG  17   9.289  -5.091   1.817
  153   HH11  ARG  17          1HH1      ARG  17   6.513  -6.493   3.546
  154   HH12  ARG  17          2HH1      ARG  17   6.634  -7.998   2.771
  155   HH21  ARG  17          1HH2      ARG  17   9.453  -7.155   0.793
  156   HH22  ARG  17          2HH2      ARG  17   8.336  -8.388   1.168
  157    HN1  NH2  18          1H        ARG  17   9.018   1.352   5.051
  158    HN2  NH2  18          2H        ARG  17  10.704   1.209   4.722
  Start of MODEL   13
    1    H1   LYS   1          1HT       LYS   1  12.961  -1.197  -0.879
    2    H2   LYS   1          2HT       LYS   1  12.201   0.285  -1.138
    3    H3   LYS   1          3HT       LYS   1  13.793   0.085  -1.612
    4    HA   LYS   1           HA       LYS   1  12.444   0.043  -3.526
    5    HB2  LYS   1          2HB       LYS   1  13.270  -2.768  -2.822
    6    HB3  LYS   1          1HB       LYS   1  12.884  -2.188  -4.425
    7    HG2  LYS   1          2HG       LYS   1  14.840  -0.600  -4.171
    8    HG3  LYS   1          1HG       LYS   1  15.260  -1.527  -2.726
    9    HD2  LYS   1          2HD       LYS   1  15.359  -3.573  -4.020
   10    HD3  LYS   1          1HD       LYS   1  14.870  -2.696  -5.470
   11    HE2  LYS   1          2HE       LYS   1  16.930  -1.305  -5.195
   12    HE3  LYS   1          1HE       LYS   1  17.426  -2.410  -3.917
   13    HZ1  LYS   1          1HZ       LYS   1  17.407  -4.229  -5.530
   14    HZ2  LYS   1          2HZ       LYS   1  18.406  -2.980  -6.061
   15    HZ3  LYS   1          3HZ       LYS   1  16.866  -3.171  -6.723
   16    H    TRP   2           HN       TRP   2  11.204  -2.112  -0.981
   17    HA   TRP   2           HA       TRP   2   9.246  -3.088  -2.805
   18    HB2  TRP   2          2HB       TRP   2   9.706  -3.777   0.090
   19    HB3  TRP   2          1HB       TRP   2   8.550  -4.569  -0.978
   20    HD1  TRP   2          1HD       TRP   2  12.064  -4.746   0.123
   21    HE1  TRP   2          1HE       TRP   2  13.376  -6.475  -1.298
   22    HE3  TRP   2          3HE       TRP   2   8.704  -5.480  -3.645
   23    HZ2  TRP   2          2HZ       TRP   2  13.038  -7.926  -3.660
   24    HZ3  TRP   2          3HZ       TRP   2   9.282  -7.049  -5.449
   25    HH2  TRP   2          2HH       TRP   2  11.403  -8.241  -5.452
   26    H    CYS   3           HN       CYS   3   7.579  -1.963  -3.226
   27    HA   CYS   3           HA       CYS   3   6.165  -0.651  -1.032
   28    HB2  CYS   3          2HB       CYS   3   6.248   0.137  -3.948
   29    HB3  CYS   3          1HB       CYS   3   5.312   0.945  -2.695
   30    H    PHE   4           HN       PHE   4   4.163  -1.326  -0.733
   31    HA   PHE   4           HA       PHE   4   3.231  -3.289  -2.660
   32    HB2  PHE   4          2HB       PHE   4   1.941  -4.232  -0.686
   33    HB3  PHE   4          1HB       PHE   4   3.677  -4.532  -0.728
   34    HD1  PHE   4          1HD       PHE   4   0.921  -2.937   1.037
   35    HD2  PHE   4          2HD       PHE   4   5.148  -3.350   0.864
   36    HE1  PHE   4          1HE       PHE   4   1.102  -2.013   3.306
   37    HE2  PHE   4          2HE       PHE   4   5.343  -2.433   3.119
   38    HZ   PHE   4           HZ       PHE   4   3.315  -1.753   4.360
   39    H    ARG   5           HN       ARG   5   1.036  -3.562  -2.920
   40    HA   ARG   5           HA       ARG   5  -0.355  -1.036  -3.024
   41    HB2  ARG   5          2HB       ARG   5  -0.324  -2.280  -5.064
   42    HB3  ARG   5          1HB       ARG   5  -0.818  -3.750  -4.246
   43    HG2  ARG   5          2HG       ARG   5  -3.029  -2.739  -3.825
   44    HG3  ARG   5          1HG       ARG   5  -2.514  -1.306  -4.718
   45    HD2  ARG   5          2HD       ARG   5  -2.252  -2.556  -6.725
   46    HD3  ARG   5          1HD       ARG   5  -2.495  -4.086  -5.886
   47    HE   ARG   5           HE       ARG   5  -4.775  -2.669  -5.432
   48   HH11  ARG   5          1HH1      ARG   5  -3.080  -3.758  -8.328
   49   HH12  ARG   5          2HH1      ARG   5  -4.477  -3.906  -9.288
   50   HH21  ARG   5          1HH2      ARG   5  -6.716  -2.873  -6.739
   51   HH22  ARG   5          2HH2      ARG   5  -6.586  -3.388  -8.353
   52    H    VAL   6           HN       VAL   6  -1.697  -0.517  -1.450
   53    HA   VAL   6           HA       VAL   6  -2.996  -2.669   0.069
   54    HB   VAL   6           HB       VAL   6  -2.634   0.242   0.868
   55   HG11  VAL   6          1HG1      VAL   6  -3.382  -0.475   3.094
   56   HG12  VAL   6          2HG1      VAL   6  -3.598  -2.112   2.500
   57   HG13  VAL   6          3HG1      VAL   6  -4.607  -0.811   1.877
   58   HG21  VAL   6          1HG2      VAL   6  -1.130  -2.178   1.850
   59   HG22  VAL   6          2HG2      VAL   6  -0.988  -0.544   2.500
   60   HG23  VAL   6          3HG2      VAL   6  -0.477  -0.884   0.846
   61    H    CYS   7           HN       CYS   7  -5.106  -2.862  -0.361
   62    HA   CYS   7           HA       CYS   7  -6.413  -0.543  -1.559
   63    HB2  CYS   7          2HB       CYS   7  -7.159  -3.474  -1.702
   64    HB3  CYS   7          1HB       CYS   7  -8.089  -2.156  -2.412
   65    H    TYR   8           HN       TYR   8  -7.378   0.567  -0.183
   66    HA   TYR   8           HA       TYR   8  -8.621  -0.731   2.138
   67    HB2  TYR   8          2HB       TYR   8  -6.588   0.800   2.436
   68    HB3  TYR   8          1HB       TYR   8  -7.643   2.105   1.921
   69    HD1  TYR   8          1HD       TYR   8  -6.985  -0.353   4.544
   70    HD2  TYR   8          2HD       TYR   8  -9.261   3.057   3.453
   71    HE1  TYR   8          1HE       TYR   8  -7.619  -0.079   6.852
   72    HE2  TYR   8          2HE       TYR   8  -9.937   3.366   5.780
   73    HH   TYR   8           HH       TYR   8  -8.436   1.661   8.357
   74    H    ARG   9           HN       ARG   9 -10.682  -0.887   1.556
   75    HA   ARG   9           HA       ARG   9 -12.829  -0.325   1.155
   76    HB2  ARG   9          2HB       ARG   9 -11.797   2.445   1.767
   77    HB3  ARG   9          1HB       ARG   9 -13.503   2.072   1.544
   78    HG2  ARG   9          2HG       ARG   9 -13.436   0.539   3.420
   79    HG3  ARG   9          1HG       ARG   9 -11.710   0.837   3.614
   80    HD2  ARG   9          2HD       ARG   9 -12.110   3.118   4.202
   81    HD3  ARG   9          1HD       ARG   9 -13.831   2.962   3.835
   82    HE   ARG   9           HE       ARG   9 -13.397   1.053   5.678
   83   HH11  ARG   9          1HH1      ARG   9 -12.596   4.511   5.722
   84   HH12  ARG   9          2HH1      ARG   9 -12.930   4.697   7.377
   85   HH21  ARG   9          1HH2      ARG   9 -13.871   1.340   7.956
   86   HH22  ARG   9          2HH2      ARG   9 -13.656   2.862   8.665
   87    H    GLY  10           HN       GLY  10 -10.963  -0.497  -1.012
   88    HA2  GLY  10          2HA       GLY  10 -11.594  -0.545  -3.297
   89    HA3  GLY  10          1HA       GLY  10 -12.593   0.874  -3.021
   90    H    ILE  11           HN       ILE  11 -10.086   1.875  -1.438
   91    HA   ILE  11           HA       ILE  11  -8.917   3.145  -3.786
   92    HB   ILE  11           HB       ILE  11  -8.505   3.747  -0.849
   93   HG12  ILE  11          2HG1      ILE  11 -10.838   4.141  -1.487
   94   HG13  ILE  11          1HG1      ILE  11 -10.022   5.658  -1.160
   95   HG21  ILE  11          1HG2      ILE  11  -7.760   5.357  -3.293
   96   HG22  ILE  11          2HG2      ILE  11  -6.647   4.519  -2.215
   97   HG23  ILE  11          3HG2      ILE  11  -7.578   5.895  -1.623
   98   HD11  ILE  11          1HD1      ILE  11  -9.802   6.027  -3.588
   99   HD12  ILE  11          2HD1      ILE  11 -11.482   5.851  -3.084
  100   HD13  ILE  11          3HD1      ILE  11 -10.658   4.511  -3.878
  101    H    CYS  12           HN       CYS  12  -7.220   2.133  -4.610
  102    HA   CYS  12           HA       CYS  12  -5.481   0.598  -2.841
  103    HB2  CYS  12          2HB       CYS  12  -5.634   0.658  -5.855
  104    HB3  CYS  12          1HB       CYS  12  -4.587  -0.385  -4.904
  105    H    TYR  13           HN       TYR  13  -3.776   1.506  -2.134
  106    HA   TYR  13           HA       TYR  13  -2.443   3.532  -3.762
  107    HB2  TYR  13          2HB       TYR  13  -1.835   4.706  -1.639
  108    HB3  TYR  13          1HB       TYR  13  -3.561   4.673  -1.980
  109    HD1  TYR  13          1HD       TYR  13  -0.918   3.425   0.250
  110    HD2  TYR  13          2HD       TYR  13  -5.091   3.463  -0.561
  111    HE1  TYR  13          1HE       TYR  13  -1.358   2.532   2.484
  112    HE2  TYR  13          2HE       TYR  13  -5.538   2.570   1.667
  113    HH   TYR  13           HH       TYR  13  -3.161   2.433   4.085
  114    H    ARG  14           HN       ARG  14  -0.141   3.881  -2.874
  115    HA   ARG  14           HA       ARG  14   1.025   1.209  -2.554
  116    HB2  ARG  14          2HB       ARG  14   2.281   3.735  -3.676
  117    HB3  ARG  14          1HB       ARG  14   3.158   2.252  -3.375
  118    HG2  ARG  14          2HG       ARG  14   2.720   2.364  -5.706
  119    HG3  ARG  14          1HG       ARG  14   1.650   1.131  -5.044
  120    HD2  ARG  14          2HD       ARG  14  -0.191   2.747  -5.034
  121    HD3  ARG  14          1HD       ARG  14   0.890   3.979  -5.683
  122    HE   ARG  14           HE       ARG  14   1.003   1.815  -7.384
  123   HH11  ARG  14          1HH1      ARG  14  -1.421   4.193  -6.364
  124   HH12  ARG  14          2HH1      ARG  14  -2.266   4.156  -7.842
  125   HH21  ARG  14          1HH2      ARG  14  -0.184   1.763  -9.398
  126   HH22  ARG  14          2HH2      ARG  14  -1.528   2.769  -9.601
  127    H    LYS  15           HN       LYS  15   1.972   0.764  -0.722
  128    HA   LYS  15           HA       LYS  15   2.851   2.999   0.962
  129    HB2  LYS  15          2HB       LYS  15   0.768   1.649   1.698
  130    HB3  LYS  15          1HB       LYS  15   1.882   0.324   1.982
  131    HG2  LYS  15          2HG       LYS  15   3.028   1.559   3.674
  132    HG3  LYS  15          1HG       LYS  15   2.118   3.021   3.293
  133    HD2  LYS  15          2HD       LYS  15   0.026   1.733   3.884
  134    HD3  LYS  15          1HD       LYS  15   1.084   0.467   4.506
  135    HE2  LYS  15          2HE       LYS  15   2.079   2.071   6.063
  136    HE3  LYS  15          1HE       LYS  15   1.034   3.334   5.428
  137    HZ1  LYS  15          1HZ       LYS  15   0.106   0.875   6.801
  138    HZ2  LYS  15          2HZ       LYS  15  -0.889   2.051   6.175
  139    HZ3  LYS  15          3HZ       LYS  15   0.119   2.416   7.471
  140    H    CYS  16           HN       CYS  16   4.986   2.867   1.457
  141    HA   CYS  16           HA       CYS  16   6.349   0.523   0.389
  142    HB2  CYS  16          2HB       CYS  16   7.435   3.275   0.939
  143    HB3  CYS  16          1HB       CYS  16   8.349   1.935   0.255
  144    H    ARG  17           HN       ARG  17   7.342  -0.854   1.541
  145    HA   ARG  17           HA       ARG  17   8.995  -0.499   3.679
  146    HB2  ARG  17          2HB       ARG  17   7.045   0.125   5.043
  147    HB3  ARG  17          1HB       ARG  17   6.214  -1.353   4.595
  148    HG2  ARG  17          2HG       ARG  17   7.850  -2.673   5.793
  149    HG3  ARG  17          1HG       ARG  17   8.791  -1.230   6.162
  150    HD2  ARG  17          2HD       ARG  17   5.965  -1.776   7.073
  151    HD3  ARG  17          1HD       ARG  17   7.414  -1.938   8.065
  152    HE   ARG  17           HE       ARG  17   7.353   0.623   6.984
  153   HH11  ARG  17          1HH1      ARG  17   5.609  -1.278   9.402
  154   HH12  ARG  17          2HH1      ARG  17   5.122   0.067  10.326
  155   HH21  ARG  17          1HH2      ARG  17   6.666   2.478   8.211
  156   HH22  ARG  17          2HH2      ARG  17   5.746   2.279   9.625
  157    HN1  NH2  18          1H        ARG  17  10.114  -1.956   2.512
  158    HN2  NH2  18          2H        ARG  17   9.665  -3.615   2.325
  Start of MODEL   14
    1    H1   LYS   1          1HT       LYS   1  14.609  -0.662  -3.212
    2    H2   LYS   1          2HT       LYS   1  13.510  -1.485  -4.195
    3    H3   LYS   1          3HT       LYS   1  13.848  -2.086  -2.689
    4    HA   LYS   1           HA       LYS   1  12.813  -0.139  -1.677
    5    HB2  LYS   1          2HB       LYS   1  12.040   0.456  -4.552
    6    HB3  LYS   1          1HB       LYS   1  11.498   1.351  -3.148
    7    HG2  LYS   1          2HG       LYS   1  14.383   1.156  -3.995
    8    HG3  LYS   1          1HG       LYS   1  13.298   2.441  -4.505
    9    HD2  LYS   1          2HD       LYS   1  13.898   1.832  -1.605
   10    HD3  LYS   1          1HD       LYS   1  14.829   2.982  -2.562
   11    HE2  LYS   1          2HE       LYS   1  12.733   4.239  -3.006
   12    HE3  LYS   1          1HE       LYS   1  11.888   3.105  -1.953
   13    HZ1  LYS   1          1HZ       LYS   1  14.096   4.903  -1.129
   14    HZ2  LYS   1          2HZ       LYS   1  13.313   3.819  -0.128
   15    HZ3  LYS   1          3HZ       LYS   1  12.468   5.128  -0.759
   16    H    TRP   2           HN       TRP   2  11.420  -1.534  -0.713
   17    HA   TRP   2           HA       TRP   2   9.714  -3.255  -2.336
   18    HB2  TRP   2          2HB       TRP   2  10.267  -3.180   0.627
   19    HB3  TRP   2          1HB       TRP   2   9.032  -4.204  -0.079
   20    HD1  TRP   2          1HD       TRP   2  10.151  -5.922  -2.098
   21    HE1  TRP   2          1HE       TRP   2  12.258  -7.377  -1.837
   22    HE3  TRP   2          3HE       TRP   2  12.390  -3.415   1.750
   23    HZ2  TRP   2          2HZ       TRP   2  14.567  -7.451  -0.205
   24    HZ3  TRP   2          3HZ       TRP   2  14.540  -4.243   2.600
   25    HH2  TRP   2          2HH       TRP   2  15.601  -6.223   1.638
   26    H    CYS   3           HN       CYS   3   7.782  -2.525  -2.909
   27    HA   CYS   3           HA       CYS   3   6.210  -1.022  -0.953
   28    HB2  CYS   3          2HB       CYS   3   6.316  -0.519  -3.946
   29    HB3  CYS   3          1HB       CYS   3   5.261   0.302  -2.806
   30    H    PHE   4           HN       PHE   4   3.961  -1.505  -1.041
   31    HA   PHE   4           HA       PHE   4   3.144  -3.478  -2.992
   32    HB2  PHE   4          2HB       PHE   4   1.852  -4.655  -1.216
   33    HB3  PHE   4          1HB       PHE   4   3.623  -4.874  -1.159
   34    HD1  PHE   4          1HD       PHE   4   4.886  -3.660   0.643
   35    HD2  PHE   4          2HD       PHE   4   0.641  -3.833   0.584
   36    HE1  PHE   4          1HE       PHE   4   4.835  -3.058   3.024
   37    HE2  PHE   4          2HE       PHE   4   0.582  -3.226   2.959
   38    HZ   PHE   4           HZ       PHE   4   2.683  -2.835   4.186
   39    H    ARG   5           HN       ARG   5   0.894  -3.668  -3.234
   40    HA   ARG   5           HA       ARG   5  -0.436  -1.098  -2.999
   41    HB2  ARG   5          2HB       ARG   5  -0.454  -2.016  -5.196
   42    HB3  ARG   5          1HB       ARG   5  -0.911  -3.602  -4.609
   43    HG2  ARG   5          2HG       ARG   5  -3.136  -2.704  -4.009
   44    HG3  ARG   5          1HG       ARG   5  -2.659  -1.144  -4.683
   45    HD2  ARG   5          2HD       ARG   5  -2.443  -2.053  -6.859
   46    HD3  ARG   5          1HD       ARG   5  -2.595  -3.709  -6.268
   47    HE   ARG   5           HE       ARG   5  -4.916  -2.497  -5.533
   48   HH11  ARG   5          1HH1      ARG   5  -3.287  -2.901  -8.653
   49   HH12  ARG   5          2HH1      ARG   5  -4.743  -3.021  -9.536
   50   HH21  ARG   5          1HH2      ARG   5  -6.897  -2.691  -6.768
   51   HH22  ARG   5          2HH2      ARG   5  -6.814  -2.850  -8.460
   52    H    VAL   6           HN       VAL   6  -2.026  -0.740  -1.589
   53    HA   VAL   6           HA       VAL   6  -3.393  -3.061  -0.447
   54    HB   VAL   6           HB       VAL   6  -2.844  -0.408   0.947
   55   HG11  VAL   6          1HG1      VAL   6  -4.222  -2.885   2.007
   56   HG12  VAL   6          2HG1      VAL   6  -5.000  -1.353   1.630
   57   HG13  VAL   6          3HG1      VAL   6  -3.845  -1.445   2.950
   58   HG21  VAL   6          1HG2      VAL   6  -0.841  -1.773   0.831
   59   HG22  VAL   6          2HG2      VAL   6  -1.723  -3.150   1.489
   60   HG23  VAL   6          3HG2      VAL   6  -1.451  -1.720   2.485
   61    H    CYS   7           HN       CYS   7  -5.540  -3.008  -0.888
   62    HA   CYS   7           HA       CYS   7  -6.674  -0.444  -1.679
   63    HB2  CYS   7          2HB       CYS   7  -7.594  -3.242  -2.376
   64    HB3  CYS   7          1HB       CYS   7  -8.419  -1.758  -2.837
   65    H    TYR   8           HN       TYR   8  -7.835   0.454  -0.282
   66    HA   TYR   8           HA       TYR   8  -9.166  -1.175   1.770
   67    HB2  TYR   8          2HB       TYR   8  -7.055   0.155   2.384
   68    HB3  TYR   8          1HB       TYR   8  -8.032   1.584   2.126
   69    HD1  TYR   8          1HD       TYR   8  -7.278  -1.152   4.360
   70    HD2  TYR   8          2HD       TYR   8  -9.944   2.065   3.625
   71    HE1  TYR   8          1HE       TYR   8  -8.031  -1.274   6.662
   72    HE2  TYR   8          2HE       TYR   8 -10.719   1.961   5.937
   73    HH   TYR   8           HH       TYR   8 -10.828   0.271   7.742
   74    H    ARG   9           HN       ARG   9 -11.233  -1.088   1.026
   75    HA   ARG   9           HA       ARG   9 -13.328  -0.321   0.602
   76    HB2  ARG   9          2HB       ARG   9 -12.210   2.334   1.536
   77    HB3  ARG   9          1HB       ARG   9 -13.895   2.069   1.144
   78    HG2  ARG   9          2HG       ARG   9 -12.385   0.661   3.340
   79    HG3  ARG   9          1HG       ARG   9 -13.438   2.062   3.547
   80    HD2  ARG   9          2HD       ARG   9 -15.293   0.708   2.566
   81    HD3  ARG   9          1HD       ARG   9 -14.223  -0.693   2.610
   82    HE   ARG   9           HE       ARG   9 -14.246   0.454   5.139
   83   HH11  ARG   9          1HH1      ARG   9 -16.515  -1.257   3.017
   84   HH12  ARG   9          2HH1      ARG   9 -17.438  -1.909   4.289
   85   HH21  ARG   9          1HH2      ARG   9 -15.571  -0.416   6.904
   86   HH22  ARG   9          2HH2      ARG   9 -16.878  -1.422   6.543
   87    H    GLY  10           HN       GLY  10 -11.179  -0.281  -1.396
   88    HA2  GLY  10          2HA       GLY  10 -11.496   0.062  -3.731
   89    HA3  GLY  10          1HA       GLY  10 -12.550   1.420  -3.350
   90    H    ILE  11           HN       ILE  11 -10.252   1.995  -1.309
   91    HA   ILE  11           HA       ILE  11  -8.865   3.812  -3.084
   92    HB   ILE  11           HB       ILE  11  -8.603   3.464  -0.078
   93   HG12  ILE  11          2HG1      ILE  11 -10.869   4.173  -0.660
   94   HG13  ILE  11          1HG1      ILE  11 -10.000   5.487   0.117
   95   HG21  ILE  11          1HG2      ILE  11  -7.514   5.651  -0.084
   96   HG22  ILE  11          2HG2      ILE  11  -7.684   5.738  -1.832
   97   HG23  ILE  11          3HG2      ILE  11  -6.633   4.518  -1.117
   98   HD11  ILE  11          1HD1      ILE  11  -9.611   6.496  -2.089
   99   HD12  ILE  11          2HD1      ILE  11 -11.324   6.312  -1.718
  100   HD13  ILE  11          3HD1      ILE  11 -10.541   5.194  -2.834
  101    H    CYS  12           HN       CYS  12  -7.289   2.816  -4.204
  102    HA   CYS  12           HA       CYS  12  -5.673   0.838  -2.808
  103    HB2  CYS  12          2HB       CYS  12  -5.849   1.456  -5.761
  104    HB3  CYS  12          1HB       CYS  12  -4.843   0.212  -5.029
  105    H    TYR  13           HN       TYR  13  -3.960   1.498  -1.931
  106    HA   TYR  13           HA       TYR  13  -2.421   3.646  -3.159
  107    HB2  TYR  13          2HB       TYR  13  -1.900   4.479  -0.871
  108    HB3  TYR  13          1HB       TYR  13  -3.605   4.587  -1.297
  109    HD1  TYR  13          1HD       TYR  13  -1.154   2.834   0.826
  110    HD2  TYR  13          2HD       TYR  13  -5.273   3.390  -0.061
  111    HE1  TYR  13          1HE       TYR  13  -1.750   1.724   2.919
  112    HE2  TYR  13          2HE       TYR  13  -5.882   2.280   2.030
  113    HH   TYR  13           HH       TYR  13  -4.932   0.727   3.626
  114    H    ARG  14           HN       ARG  14  -0.145   3.597  -2.256
  115    HA   ARG  14           HA       ARG  14   0.599   0.791  -1.972
  116    HB2  ARG  14          2HB       ARG  14   2.183   3.084  -3.101
  117    HB3  ARG  14          1HB       ARG  14   2.781   1.450  -2.884
  118    HG2  ARG  14          2HG       ARG  14   1.108   0.633  -4.481
  119    HG3  ARG  14          1HG       ARG  14   0.537   2.293  -4.709
  120    HD2  ARG  14          2HD       ARG  14   2.770   2.952  -5.432
  121    HD3  ARG  14          1HD       ARG  14   3.320   1.301  -5.196
  122    HE   ARG  14           HE       ARG  14   1.158   1.339  -6.978
  123   HH11  ARG  14          1HH1      ARG  14   4.525   2.291  -6.721
  124   HH12  ARG  14          2HH1      ARG  14   4.927   2.042  -8.357
  125   HH21  ARG  14          1HH2      ARG  14   1.659   0.983  -9.294
  126   HH22  ARG  14          2HH2      ARG  14   3.255   1.249  -9.849
  127    H    LYS  15           HN       LYS  15   1.932   0.207  -0.417
  128    HA   LYS  15           HA       LYS  15   2.822   2.269   1.468
  129    HB2  LYS  15          2HB       LYS  15   2.247  -0.651   2.001
  130    HB3  LYS  15          1HB       LYS  15   2.876   0.495   3.173
  131    HG2  LYS  15          2HG       LYS  15   0.805   1.799   2.983
  132    HG3  LYS  15          1HG       LYS  15   0.179   0.607   1.845
  133    HD2  LYS  15          2HD       LYS  15  -0.728   0.128   4.023
  134    HD3  LYS  15          1HD       LYS  15   0.428  -1.126   3.600
  135    HE2  LYS  15          2HE       LYS  15   0.670  -0.436   5.936
  136    HE3  LYS  15          1HE       LYS  15   2.124  -0.081   5.013
  137    HZ1  LYS  15          1HZ       LYS  15   0.009   1.893   5.719
  138    HZ2  LYS  15          2HZ       LYS  15   1.428   2.234   4.882
  139    HZ3  LYS  15          3HZ       LYS  15   1.501   1.725   6.480
  140    H    CYS  16           HN       CYS  16   4.898   2.606   1.313
  141    HA   CYS  16           HA       CYS  16   6.565   0.494   0.222
  142    HB2  CYS  16          2HB       CYS  16   6.986   3.462   0.480
  143    HB3  CYS  16          1HB       CYS  16   8.236   2.345  -0.058
  144    H    ARG  17           HN       ARG  17   8.172  -0.361   1.286
  145    HA   ARG  17           HA       ARG  17   8.076  -0.070   4.167
  146    HB2  ARG  17          2HB       ARG  17   9.788  -1.962   2.542
  147    HB3  ARG  17          1HB       ARG  17   9.356  -2.104   4.238
  148    HG2  ARG  17          2HG       ARG  17   7.015  -2.454   3.580
  149    HG3  ARG  17          1HG       ARG  17   7.502  -2.366   1.887
  150    HD2  ARG  17          2HD       ARG  17   9.112  -4.239   2.388
  151    HD3  ARG  17          1HD       ARG  17   8.292  -4.414   3.937
  152    HE   ARG  17           HE       ARG  17   7.106  -4.828   1.290
  153   HH11  ARG  17          1HH1      ARG  17   6.897  -5.275   4.803
  154   HH12  ARG  17          2HH1      ARG  17   5.756  -6.516   4.717
  155   HH21  ARG  17          1HH2      ARG  17   5.569  -6.570   1.173
  156   HH22  ARG  17          2HH2      ARG  17   5.013  -7.306   2.590
  157    HN1  NH2  18          1H        ARG  17  10.944  -0.725   2.223
  158    HN2  NH2  18          2H        ARG  17  11.858   0.595   2.853
  Start of MODEL   15
    1    H1   LYS   1          1HT       LYS   1  12.294  -2.738   0.729
    2    H2   LYS   1          2HT       LYS   1  11.833  -1.127   0.632
    3    H3   LYS   1          3HT       LYS   1  13.426  -1.503   0.919
    4    HA   LYS   1           HA       LYS   1  13.112  -0.743  -1.297
    5    HB2  LYS   1          2HB       LYS   1  14.121  -2.634  -2.537
    6    HB3  LYS   1          1HB       LYS   1  14.910  -2.342  -0.997
    7    HG2  LYS   1          2HG       LYS   1  13.729  -4.261  -0.035
    8    HG3  LYS   1          1HG       LYS   1  12.912  -4.527  -1.574
    9    HD2  LYS   1          2HD       LYS   1  15.079  -4.907  -2.660
   10    HD3  LYS   1          1HD       LYS   1  15.899  -4.644  -1.120
   11    HE2  LYS   1          2HE       LYS   1  14.702  -6.567  -0.170
   12    HE3  LYS   1          1HE       LYS   1  13.897  -6.817  -1.710
   13    HZ1  LYS   1          1HZ       LYS   1  16.080  -7.243  -2.723
   14    HZ2  LYS   1          2HZ       LYS   1  15.741  -8.316  -1.500
   15    HZ3  LYS   1          3HZ       LYS   1  16.822  -7.060  -1.221
   16    H    TRP   2           HN       TRP   2  10.909  -3.439  -0.535
   17    HA   TRP   2           HA       TRP   2   9.802  -3.115  -3.182
   18    HB2  TRP   2          2HB       TRP   2   8.372  -5.096  -2.625
   19    HB3  TRP   2          1HB       TRP   2  10.095  -5.415  -2.603
   20    HD1  TRP   2          1HD       TRP   2   7.309  -4.633  -0.020
   21    HE1  TRP   2          1HE       TRP   2   7.794  -6.010   2.106
   22    HE3  TRP   2          3HE       TRP   2  11.662  -6.848  -1.468
   23    HZ2  TRP   2          2HZ       TRP   2   9.755  -7.819   3.025
   24    HZ3  TRP   2          3HZ       TRP   2  12.776  -8.398   0.091
   25    HH2  TRP   2          2HH       TRP   2  11.835  -8.866   2.287
   26    H    CYS   3           HN       CYS   3   7.632  -2.741  -3.563
   27    HA   CYS   3           HA       CYS   3   6.169  -1.479  -1.366
   28    HB2  CYS   3          2HB       CYS   3   6.420  -0.487  -4.213
   29    HB3  CYS   3          1HB       CYS   3   5.313   0.167  -3.024
   30    H    PHE   4           HN       PHE   4   3.962  -1.827  -1.454
   31    HA   PHE   4           HA       PHE   4   2.974  -3.381  -3.683
   32    HB2  PHE   4          2HB       PHE   4   1.661  -4.780  -2.041
   33    HB3  PHE   4          1HB       PHE   4   3.400  -5.076  -2.090
   34    HD1  PHE   4          1HD       PHE   4   0.596  -3.964  -0.080
   35    HD2  PHE   4          2HD       PHE   4   4.825  -4.359  -0.215
   36    HE1  PHE   4          1HE       PHE   4   0.698  -3.674   2.348
   37    HE2  PHE   4          2HE       PHE   4   4.937  -4.062   2.223
   38    HZ   PHE   4           HZ       PHE   4   2.870  -3.723   3.511
   39    H    ARG   5           HN       ARG   5   0.635  -3.336  -3.836
   40    HA   ARG   5           HA       ARG   5  -0.301  -0.736  -2.895
   41    HB2  ARG   5          2HB       ARG   5  -0.001  -0.961  -5.338
   42    HB3  ARG   5          1HB       ARG   5  -1.149  -2.288  -5.341
   43    HG2  ARG   5          2HG       ARG   5  -2.909  -0.781  -4.600
   44    HG3  ARG   5          1HG       ARG   5  -1.756   0.555  -4.559
   45    HD2  ARG   5          2HD       ARG   5  -2.539  -1.043  -6.997
   46    HD3  ARG   5          1HD       ARG   5  -3.086   0.587  -6.612
   47    HE   ARG   5           HE       ARG   5  -0.271   0.525  -6.665
   48   HH11  ARG   5          1HH1      ARG   5  -3.011   0.336  -8.895
   49   HH12  ARG   5          2HH1      ARG   5  -2.171   0.997 -10.216
   50   HH21  ARG   5          1HH2      ARG   5   0.895   1.400  -8.478
   51   HH22  ARG   5          2HH2      ARG   5   0.110   1.586  -9.986
   52    H    VAL   6           HN       VAL   6  -1.868  -0.754  -1.491
   53    HA   VAL   6           HA       VAL   6  -3.394  -3.227  -1.083
   54    HB   VAL   6           HB       VAL   6  -2.990  -0.880   0.809
   55   HG11  VAL   6          1HG1      VAL   6  -5.105  -2.023   1.214
   56   HG12  VAL   6          2HG1      VAL   6  -3.977  -2.322   2.534
   57   HG13  VAL   6          3HG1      VAL   6  -4.264  -3.570   1.323
   58   HG21  VAL   6          1HG2      VAL   6  -0.913  -2.099   0.498
   59   HG22  VAL   6          2HG2      VAL   6  -1.732  -3.618   0.865
   60   HG23  VAL   6          3HG2      VAL   6  -1.561  -2.381   2.113
   61    H    CYS   7           HN       CYS   7  -5.562  -3.128  -1.407
   62    HA   CYS   7           HA       CYS   7  -6.704  -0.478  -1.904
   63    HB2  CYS   7          2HB       CYS   7  -7.596  -3.200  -2.864
   64    HB3  CYS   7          1HB       CYS   7  -8.493  -1.709  -3.146
   65    H    TYR   8           HN       TYR   8  -7.618   0.252  -0.246
   66    HA   TYR   8           HA       TYR   8  -8.900  -1.600   1.626
   67    HB2  TYR   8          2HB       TYR   8  -6.712  -0.465   2.303
   68    HB3  TYR   8          1HB       TYR   8  -7.617   1.042   2.246
   69    HD1  TYR   8          1HD       TYR   8  -8.884   1.737   4.118
   70    HD2  TYR   8          2HD       TYR   8  -7.445  -2.254   3.916
   71    HE1  TYR   8          1HE       TYR   8  -9.536   1.390   6.456
   72    HE2  TYR   8          2HE       TYR   8  -8.091  -2.617   6.239
   73    HH   TYR   8           HH       TYR   8 -10.104  -0.567   7.970
   74    H    ARG   9           HN       ARG   9 -10.996  -1.343   1.315
   75    HA   ARG   9           HA       ARG   9 -13.070  -0.471   1.118
   76    HB2  ARG   9          2HB       ARG   9 -11.737   2.005   2.222
   77    HB3  ARG   9          1HB       ARG   9 -13.474   1.827   2.044
   78    HG2  ARG   9          2HG       ARG   9 -13.449  -0.057   3.599
   79    HG3  ARG   9          1HG       ARG   9 -11.699   0.099   3.758
   80    HD2  ARG   9          2HD       ARG   9 -13.744   2.177   4.521
   81    HD3  ARG   9          1HD       ARG   9 -12.860   1.123   5.624
   82    HE   ARG   9           HE       ARG   9 -11.165   2.674   3.927
   83   HH11  ARG   9          1HH1      ARG   9 -12.959   2.715   6.954
   84   HH12  ARG   9          2HH1      ARG   9 -11.997   3.900   7.682
   85   HH21  ARG   9          1HH2      ARG   9  -9.825   4.309   4.901
   86   HH22  ARG   9          2HH2      ARG   9 -10.174   4.845   6.481
   87    H    GLY  10           HN       GLY  10 -11.292  -0.432  -1.087
   88    HA2  GLY  10          2HA       GLY  10 -11.843   0.078  -3.320
   89    HA3  GLY  10          1HA       GLY  10 -12.739   1.484  -2.761
   90    H    ILE  11           HN       ILE  11 -10.373   2.117  -0.992
   91    HA   ILE  11           HA       ILE  11  -9.062   3.786  -2.947
   92    HB   ILE  11           HB       ILE  11  -8.651   3.605   0.052
   93   HG12  ILE  11          2HG1      ILE  11 -10.935   4.322  -0.458
   94   HG13  ILE  11          1HG1      ILE  11 -10.008   5.663   0.203
   95   HG21  ILE  11          1HG2      ILE  11  -7.734   5.722  -1.893
   96   HG22  ILE  11          2HG2      ILE  11  -6.709   4.552  -1.064
   97   HG23  ILE  11          3HG2      ILE  11  -7.554   5.795  -0.139
   98   HD11  ILE  11          1HD1      ILE  11  -9.731   6.560  -2.065
   99   HD12  ILE  11          2HD1      ILE  11 -11.427   6.398  -1.611
  100   HD13  ILE  11          3HD1      ILE  11 -10.693   5.223  -2.702
  101    H    CYS  12           HN       CYS  12  -7.376   3.020  -3.977
  102    HA   CYS  12           HA       CYS  12  -5.756   0.932  -2.719
  103    HB2  CYS  12          2HB       CYS  12  -5.819   1.861  -5.590
  104    HB3  CYS  12          1HB       CYS  12  -4.882   0.510  -4.965
  105    H    TYR  13           HN       TYR  13  -3.895   1.399  -1.919
  106    HA   TYR  13           HA       TYR  13  -2.490   3.741  -2.913
  107    HB2  TYR  13          2HB       TYR  13  -1.927   4.422  -0.614
  108    HB3  TYR  13          1HB       TYR  13  -3.657   4.459  -0.925
  109    HD1  TYR  13          1HD       TYR  13  -5.167   3.076   0.338
  110    HD2  TYR  13          2HD       TYR  13  -0.962   2.678   0.848
  111    HE1  TYR  13          1HE       TYR  13  -5.540   1.764   2.372
  112    HE2  TYR  13          2HE       TYR  13  -1.320   1.382   2.859
  113    HH   TYR  13           HH       TYR  13  -4.343   0.123   3.795
  114    H    ARG  14           HN       ARG  14  -0.283   3.682  -2.598
  115    HA   ARG  14           HA       ARG  14   0.786   0.985  -2.484
  116    HB2  ARG  14          2HB       ARG  14   1.325   2.210  -4.462
  117    HB3  ARG  14          1HB       ARG  14   1.830   3.609  -3.529
  118    HG2  ARG  14          2HG       ARG  14   3.774   2.374  -2.759
  119    HG3  ARG  14          1HG       ARG  14   3.232   0.961  -3.675
  120    HD2  ARG  14          2HD       ARG  14   3.427   2.130  -5.741
  121    HD3  ARG  14          1HD       ARG  14   3.737   3.657  -4.918
  122    HE   ARG  14           HE       ARG  14   5.784   2.406  -4.048
  123   HH11  ARG  14          1HH1      ARG  14   4.425   1.944  -7.289
  124   HH12  ARG  14          2HH1      ARG  14   5.936   1.613  -8.012
  125   HH21  ARG  14          1HH2      ARG  14   7.860   1.979  -5.090
  126   HH22  ARG  14          2HH2      ARG  14   7.877   1.601  -6.748
  127    H    LYS  15           HN       LYS  15   1.926   0.283  -0.843
  128    HA   LYS  15           HA       LYS  15   2.791   2.177   1.209
  129    HB2  LYS  15          2HB       LYS  15   2.485  -0.832   1.294
  130    HB3  LYS  15          1HB       LYS  15   3.241   0.098   2.571
  131    HG2  LYS  15          2HG       LYS  15   1.095   1.315   2.868
  132    HG3  LYS  15          1HG       LYS  15   0.365   0.217   1.690
  133    HD2  LYS  15          2HD       LYS  15   0.884  -1.689   3.085
  134    HD3  LYS  15          1HD       LYS  15   1.744  -0.661   4.230
  135    HE2  LYS  15          2HE       LYS  15  -0.380   0.503   4.725
  136    HE3  LYS  15          1HE       LYS  15  -1.211  -0.581   3.610
  137    HZ1  LYS  15          1HZ       LYS  15  -0.608  -2.437   5.024
  138    HZ2  LYS  15          2HZ       LYS  15  -1.440  -1.288   5.919
  139    HZ3  LYS  15          3HZ       LYS  15   0.227  -1.422   6.068
  140    H    CYS  16           HN       CYS  16   4.835   2.681   1.397
  141    HA   CYS  16           HA       CYS  16   6.888   0.854   0.417
  142    HB2  CYS  16          2HB       CYS  16   6.739   3.830  -0.123
  143    HB3  CYS  16          1HB       CYS  16   8.158   2.831  -0.406
  144    H    ARG  17           HN       ARG  17   8.594   0.746   1.796
  145    HA   ARG  17           HA       ARG  17   9.247   2.883   3.534
  146    HB2  ARG  17          2HB       ARG  17   7.406   1.845   4.820
  147    HB3  ARG  17          1HB       ARG  17   8.254   0.306   4.781
  148    HG2  ARG  17          2HG       ARG  17  10.071   1.247   6.079
  149    HG3  ARG  17          1HG       ARG  17   9.290   2.826   6.059
  150    HD2  ARG  17          2HD       ARG  17   8.902   1.712   8.166
  151    HD3  ARG  17          1HD       ARG  17   7.390   1.889   7.286
  152    HE   ARG  17           HE       ARG  17   8.306  -0.586   6.611
  153   HH11  ARG  17          1HH1      ARG  17   7.545   1.036   9.660
  154   HH12  ARG  17          2HH1      ARG  17   7.103  -0.381  10.479
  155   HH21  ARG  17          1HH2      ARG  17   7.691  -2.560   7.735
  156   HH22  ARG  17          2HH2      ARG  17   7.192  -2.474   9.356
  157    HN1  NH2  18          1H        ARG  17  11.172   2.783   2.581
  158    HN2  NH2  18          2H        ARG  17  12.265   1.450   2.698
  Start of MODEL   16
    1    H1   LYS   1          1HT       LYS   1  12.624   0.890  -1.415
    2    H2   LYS   1          2HT       LYS   1  13.478   0.141  -2.660
    3    H3   LYS   1          3HT       LYS   1  14.246   0.492  -1.193
    4    HA   LYS   1           HA       LYS   1  13.697  -1.835  -1.413
    5    HB2  LYS   1          2HB       LYS   1  12.179  -0.290   0.703
    6    HB3  LYS   1          1HB       LYS   1  12.416  -2.021   0.743
    7    HG2  LYS   1          2HG       LYS   1  14.812  -1.738   0.933
    8    HG3  LYS   1          1HG       LYS   1  14.640   0.009   0.776
    9    HD2  LYS   1          2HD       LYS   1  13.405   0.121   2.848
   10    HD3  LYS   1          1HD       LYS   1  13.400  -1.635   2.977
   11    HE2  LYS   1          2HE       LYS   1  15.872   0.092   3.008
   12    HE3  LYS   1          1HE       LYS   1  15.078  -0.546   4.442
   13    HZ1  LYS   1          1HZ       LYS   1  15.518  -2.791   3.636
   14    HZ2  LYS   1          2HZ       LYS   1  16.945  -1.919   3.788
   15    HZ3  LYS   1          3HZ       LYS   1  16.295  -2.173   2.269
   16    H    TRP   2           HN       TRP   2  11.534  -3.146  -0.587
   17    HA   TRP   2           HA       TRP   2   9.903  -3.121  -2.887
   18    HB2  TRP   2          2HB       TRP   2   8.736  -5.021  -1.900
   19    HB3  TRP   2          1HB       TRP   2  10.470  -5.208  -1.735
   20    HD1  TRP   2          1HD       TRP   2  11.397  -4.506   0.880
   21    HE1  TRP   2          1HE       TRP   2  10.324  -5.149   3.122
   22    HE3  TRP   2          3HE       TRP   2   6.666  -5.532  -0.760
   23    HZ2  TRP   2          2HZ       TRP   2   7.810  -5.993   4.070
   24    HZ3  TRP   2          3HZ       TRP   2   4.991  -6.266   0.883
   25    HH2  TRP   2          2HH       TRP   2   5.553  -6.491   3.244
   26    H    CYS   3           HN       CYS   3   7.782  -2.707  -3.178
   27    HA   CYS   3           HA       CYS   3   6.371  -1.181  -1.118
   28    HB2  CYS   3          2HB       CYS   3   6.335  -0.708  -4.114
   29    HB3  CYS   3          1HB       CYS   3   5.427   0.201  -2.923
   30    H    PHE   4           HN       PHE   4   4.107  -1.493  -1.133
   31    HA   PHE   4           HA       PHE   4   3.102  -3.577  -2.890
   32    HB2  PHE   4          2HB       PHE   4   1.809  -4.507  -0.936
   33    HB3  PHE   4          1HB       PHE   4   3.547  -4.766  -0.860
   34    HD1  PHE   4          1HD       PHE   4   4.850  -3.796   0.877
   35    HD2  PHE   4          2HD       PHE   4   0.710  -2.921   0.579
   36    HE1  PHE   4          1HE       PHE   4   4.901  -2.856   3.128
   37    HE2  PHE   4          2HE       PHE   4   0.749  -1.962   2.842
   38    HZ   PHE   4           HZ       PHE   4   2.847  -1.929   4.125
   39    H    ARG   5           HN       ARG   5   0.726  -3.557  -2.999
   40    HA   ARG   5           HA       ARG   5  -0.271  -0.831  -2.602
   41    HB2  ARG   5          2HB       ARG   5  -0.121  -1.386  -4.958
   42    HB3  ARG   5          1HB       ARG   5  -1.010  -2.876  -4.693
   43    HG2  ARG   5          2HG       ARG   5  -3.009  -1.620  -4.129
   44    HG3  ARG   5          1HG       ARG   5  -2.125  -0.105  -4.303
   45    HD2  ARG   5          2HD       ARG   5  -3.454  -0.571  -6.294
   46    HD3  ARG   5          1HD       ARG   5  -1.728  -0.594  -6.642
   47    HE   ARG   5           HE       ARG   5  -2.674  -3.194  -6.062
   48   HH11  ARG   5          1HH1      ARG   5  -2.660  -0.736  -8.619
   49   HH12  ARG   5          2HH1      ARG   5  -2.777  -1.845  -9.896
   50   HH21  ARG   5          1HH2      ARG   5  -2.852  -4.735  -7.824
   51   HH22  ARG   5          2HH2      ARG   5  -2.921  -4.175  -9.428
   52    H    VAL   6           HN       VAL   6  -1.902  -0.559  -1.289
   53    HA   VAL   6           HA       VAL   6  -3.364  -2.930  -0.330
   54    HB   VAL   6           HB       VAL   6  -3.053  -0.229   1.035
   55   HG11  VAL   6          1HG1      VAL   6  -4.259  -2.797   2.080
   56   HG12  VAL   6          2HG1      VAL   6  -5.141  -1.337   1.643
   57   HG13  VAL   6          3HG1      VAL   6  -4.036  -1.316   3.011
   58   HG21  VAL   6          1HG2      VAL   6  -0.932  -1.400   1.029
   59   HG22  VAL   6          2HG2      VAL   6  -1.706  -2.849   1.670
   60   HG23  VAL   6          3HG2      VAL   6  -1.614  -1.389   2.656
   61    H    CYS   7           HN       CYS   7  -5.488  -2.973  -0.767
   62    HA   CYS   7           HA       CYS   7  -6.719  -0.492  -1.686
   63    HB2  CYS   7          2HB       CYS   7  -7.434  -3.366  -2.309
   64    HB3  CYS   7          1HB       CYS   7  -8.438  -1.984  -2.741
   65    H    TYR   8           HN       TYR   8  -7.727   0.418  -0.164
   66    HA   TYR   8           HA       TYR   8  -9.001  -1.252   1.872
   67    HB2  TYR   8          2HB       TYR   8  -6.954   0.157   2.464
   68    HB3  TYR   8          1HB       TYR   8  -7.975   1.554   2.210
   69    HD1  TYR   8          1HD       TYR   8  -9.538   2.266   3.848
   70    HD2  TYR   8          2HD       TYR   8  -7.534  -1.443   4.309
   71    HE1  TYR   8          1HE       TYR   8 -10.361   2.123   6.137
   72    HE2  TYR   8          2HE       TYR   8  -8.336  -1.616   6.590
   73    HH   TYR   8           HH       TYR   8  -9.110  -0.004   8.393
   74    H    ARG   9           HN       ARG   9 -11.040  -1.297   1.157
   75    HA   ARG   9           HA       ARG   9 -13.197  -0.680   0.782
   76    HB2  ARG   9          2HB       ARG   9 -12.326   2.021   1.854
   77    HB3  ARG   9          1HB       ARG   9 -13.989   1.500   1.655
   78    HG2  ARG   9          2HG       ARG   9 -11.975   0.233   3.511
   79    HG3  ARG   9          1HG       ARG   9 -13.234   1.366   3.996
   80    HD2  ARG   9          2HD       ARG   9 -14.951  -0.204   3.301
   81    HD3  ARG   9          1HD       ARG   9 -13.721  -1.303   2.678
   82    HE   ARG   9           HE       ARG   9 -13.350  -0.699   5.434
   83   HH11  ARG   9          1HH1      ARG   9 -15.324  -2.726   3.282
   84   HH12  ARG   9          2HH1      ARG   9 -15.438  -4.017   4.379
   85   HH21  ARG   9          1HH2      ARG   9 -13.531  -2.480   6.935
   86   HH22  ARG   9          2HH2      ARG   9 -14.405  -3.869   6.491
   87    H    GLY  10           HN       GLY  10 -11.176  -0.391  -1.245
   88    HA2  GLY  10          2HA       GLY  10 -11.620   0.059  -3.542
   89    HA3  GLY  10          1HA       GLY  10 -12.657   1.389  -3.044
   90    H    ILE  11           HN       ILE  11 -10.306   1.944  -1.074
   91    HA   ILE  11           HA       ILE  11  -8.999   3.794  -2.865
   92    HB   ILE  11           HB       ILE  11  -8.582   3.361   0.112
   93   HG12  ILE  11          2HG1      ILE  11 -10.866   4.090  -0.332
   94   HG13  ILE  11          1HG1      ILE  11  -9.952   5.386   0.427
   95   HG21  ILE  11          1HG2      ILE  11  -6.671   4.432  -0.996
   96   HG22  ILE  11          2HG2      ILE  11  -7.485   5.529   0.116
   97   HG23  ILE  11          3HG2      ILE  11  -7.742   5.687  -1.622
   98   HD11  ILE  11          1HD1      ILE  11  -9.676   6.445  -1.767
   99   HD12  ILE  11          2HD1      ILE  11 -11.371   6.245  -1.322
  100   HD13  ILE  11          3HD1      ILE  11 -10.635   5.155  -2.495
  101    H    CYS  12           HN       CYS  12  -7.491   2.835  -4.068
  102    HA   CYS  12           HA       CYS  12  -5.771   0.857  -2.790
  103    HB2  CYS  12          2HB       CYS  12  -6.178   1.485  -5.721
  104    HB3  CYS  12          1HB       CYS  12  -5.055   0.279  -5.096
  105    H    TYR  13           HN       TYR  13  -3.940   1.507  -2.064
  106    HA   TYR  13           HA       TYR  13  -2.593   3.686  -3.458
  107    HB2  TYR  13          2HB       TYR  13  -1.856   4.625  -1.291
  108    HB3  TYR  13          1HB       TYR  13  -3.596   4.692  -1.524
  109    HD1  TYR  13          1HD       TYR  13  -0.881   2.980   0.326
  110    HD2  TYR  13          2HD       TYR  13  -5.076   3.613  -0.001
  111    HE1  TYR  13          1HE       TYR  13  -1.201   1.962   2.525
  112    HE2  TYR  13          2HE       TYR  13  -5.411   2.593   2.193
  113    HH   TYR  13           HH       TYR  13  -4.333   1.177   3.764
  114    H    ARG  14           HN       ARG  14  -0.311   3.806  -2.991
  115    HA   ARG  14           HA       ARG  14   0.807   1.115  -2.766
  116    HB2  ARG  14          2HB       ARG  14   2.005   3.687  -3.800
  117    HB3  ARG  14          1HB       ARG  14   2.831   2.140  -3.745
  118    HG2  ARG  14          2HG       ARG  14   1.247   1.209  -5.292
  119    HG3  ARG  14          1HG       ARG  14   0.366   2.751  -5.370
  120    HD2  ARG  14          2HD       ARG  14   1.847   2.563  -7.279
  121    HD3  ARG  14          1HD       ARG  14   2.459   3.807  -6.190
  122    HE   ARG  14           HE       ARG  14   3.502   1.116  -5.894
  123   HH11  ARG  14          1HH1      ARG  14   4.056   4.398  -7.076
  124   HH12  ARG  14          2HH1      ARG  14   5.737   4.220  -7.240
  125   HH21  ARG  14          1HH2      ARG  14   5.817   0.861  -6.119
  126   HH22  ARG  14          2HH2      ARG  14   6.766   2.173  -6.647
  127    H    LYS  15           HN       LYS  15   2.072   0.629  -1.083
  128    HA   LYS  15           HA       LYS  15   2.981   2.833   0.591
  129    HB2  LYS  15          2HB       LYS  15   1.025   1.684   1.612
  130    HB3  LYS  15          1HB       LYS  15   1.925   0.176   1.571
  131    HG2  LYS  15          2HG       LYS  15   3.588   1.107   3.080
  132    HG3  LYS  15          1HG       LYS  15   2.717   2.641   3.103
  133    HD2  LYS  15          2HD       LYS  15   0.757   1.481   4.035
  134    HD3  LYS  15          1HD       LYS  15   1.682  -0.020   4.065
  135    HE2  LYS  15          2HE       LYS  15   3.320   1.034   5.547
  136    HE3  LYS  15          1HE       LYS  15   2.362   2.512   5.545
  137    HZ1  LYS  15          1HZ       LYS  15   0.540   1.281   6.544
  138    HZ2  LYS  15          2HZ       LYS  15   1.913   1.212   7.494
  139    HZ3  LYS  15          3HZ       LYS  15   1.465  -0.128   6.579
  140    H    CYS  16           HN       CYS  16   5.090   2.786   0.828
  141    HA   CYS  16           HA       CYS  16   6.500   0.354   0.052
  142    HB2  CYS  16          2HB       CYS  16   7.443   3.211   0.171
  143    HB3  CYS  16          1HB       CYS  16   8.444   1.839  -0.285
  144    H    ARG  17           HN       ARG  17   7.962  -0.587   1.326
  145    HA   ARG  17           HA       ARG  17   8.360   0.523   4.019
  146    HB2  ARG  17          2HB       ARG  17   8.199  -2.321   3.070
  147    HB3  ARG  17          1HB       ARG  17   9.007  -1.896   4.562
  148    HG2  ARG  17          2HG       ARG  17   6.905  -1.018   5.428
  149    HG3  ARG  17          1HG       ARG  17   6.099  -1.478   3.919
  150    HD2  ARG  17          2HD       ARG  17   6.677  -3.785   4.251
  151    HD3  ARG  17          1HD       ARG  17   7.676  -3.367   5.633
  152    HE   ARG  17           HE       ARG  17   4.861  -2.753   5.834
  153   HH11  ARG  17          1HH1      ARG  17   7.541  -4.961   6.562
  154   HH12  ARG  17          2HH1      ARG  17   6.741  -5.740   7.851
  155   HH21  ARG  17          1HH2      ARG  17   3.740  -3.874   7.614
  156   HH22  ARG  17          2HH2      ARG  17   4.561  -5.084   8.469
  157    HN1  NH2  18          1H        ARG  17   9.995  -2.154   2.516
  158    HN2  NH2  18          2H        ARG  17  11.544  -1.399   2.420
  Start of MODEL   17
    1    H1   LYS   1          1HT       LYS   1  13.154  -0.771  -3.777
    2    H2   LYS   1          2HT       LYS   1  13.843  -1.995  -2.871
    3    H3   LYS   1          3HT       LYS   1  14.420  -0.422  -2.703
    4    HA   LYS   1           HA       LYS   1  13.032  -1.069  -0.850
    5    HB2  LYS   1          2HB       LYS   1  11.439   0.794  -0.918
    6    HB3  LYS   1          1HB       LYS   1  12.956   1.302  -1.641
    7    HG2  LYS   1          2HG       LYS   1  11.956   0.912  -3.884
    8    HG3  LYS   1          1HG       LYS   1  10.428   0.548  -3.094
    9    HD2  LYS   1          2HD       LYS   1  10.443   2.799  -2.067
   10    HD3  LYS   1          1HD       LYS   1  11.932   3.165  -2.939
   11    HE2  LYS   1          2HE       LYS   1   9.271   2.473  -4.196
   12    HE3  LYS   1          1HE       LYS   1   9.953   4.092  -4.067
   13    HZ1  LYS   1          1HZ       LYS   1  11.129   1.836  -5.605
   14    HZ2  LYS   1          2HZ       LYS   1  11.788   3.364  -5.481
   15    HZ3  LYS   1          3HZ       LYS   1  10.299   3.147  -6.256
   16    H    TRP   2           HN       TRP   2  10.871  -1.780  -0.163
   17    HA   TRP   2           HA       TRP   2   9.578  -3.274  -2.313
   18    HB2  TRP   2          2HB       TRP   2  10.460  -4.741  -0.558
   19    HB3  TRP   2          1HB       TRP   2   9.531  -3.872   0.658
   20    HD1  TRP   2          1HD       TRP   2   8.691  -5.731  -2.645
   21    HE1  TRP   2          1HE       TRP   2   6.528  -7.095  -2.273
   22    HE3  TRP   2          3HE       TRP   2   7.776  -4.464   2.206
   23    HZ2  TRP   2          2HZ       TRP   2   4.684  -7.561  -0.181
   24    HZ3  TRP   2          3HZ       TRP   2   5.803  -5.411   3.325
   25    HH2  TRP   2          2HH       TRP   2   4.294  -6.926   2.155
   26    H    CYS   3           HN       CYS   3   7.770  -2.549  -3.001
   27    HA   CYS   3           HA       CYS   3   6.094  -0.947  -1.222
   28    HB2  CYS   3          2HB       CYS   3   6.474  -0.621  -4.202
   29    HB3  CYS   3          1HB       CYS   3   5.371   0.310  -3.205
   30    H    PHE   4           HN       PHE   4   4.119  -1.620  -0.997
   31    HA   PHE   4           HA       PHE   4   3.116  -3.595  -2.883
   32    HB2  PHE   4          2HB       PHE   4   1.788  -4.512  -0.948
   33    HB3  PHE   4          1HB       PHE   4   3.521  -4.781  -0.828
   34    HD1  PHE   4          1HD       PHE   4   4.847  -3.419   0.776
   35    HD2  PHE   4          2HD       PHE   4   0.601  -3.272   0.682
   36    HE1  PHE   4          1HE       PHE   4   4.835  -2.431   3.020
   37    HE2  PHE   4          2HE       PHE   4   0.589  -2.281   2.925
   38    HZ   PHE   4           HZ       PHE   4   2.712  -1.858   4.097
   39    H    ARG   5           HN       ARG   5   0.746  -3.551  -3.025
   40    HA   ARG   5           HA       ARG   5  -0.097  -0.776  -2.753
   41    HB2  ARG   5          2HB       ARG   5  -0.050  -1.670  -5.070
   42    HB3  ARG   5          1HB       ARG   5  -1.204  -2.898  -4.586
   43    HG2  ARG   5          2HG       ARG   5  -2.891  -1.253  -4.163
   44    HG3  ARG   5          1HG       ARG   5  -1.741   0.056  -4.438
   45    HD2  ARG   5          2HD       ARG   5  -2.591  -1.980  -6.484
   46    HD3  ARG   5          1HD       ARG   5  -3.206  -0.330  -6.370
   47    HE   ARG   5           HE       ARG   5  -0.391  -0.331  -6.539
   48   HH11  ARG   5          1HH1      ARG   5  -3.270  -0.768  -8.518
   49   HH12  ARG   5          2HH1      ARG   5  -2.509  -0.333  -9.981
   50   HH21  ARG   5          1HH2      ARG   5   0.654   0.292  -8.505
   51   HH22  ARG   5          2HH2      ARG   5  -0.193   0.277  -9.979
   52    H    VAL   6           HN       VAL   6  -1.715  -0.303  -1.516
   53    HA   VAL   6           HA       VAL   6  -3.068  -2.521  -0.178
   54    HB   VAL   6           HB       VAL   6  -2.738   0.356   0.715
   55   HG11  VAL   6          1HG1      VAL   6  -3.901  -2.019   2.153
   56   HG12  VAL   6          2HG1      VAL   6  -4.796  -0.630   1.542
   57   HG13  VAL   6          3HG1      VAL   6  -3.643  -0.425   2.863
   58   HG21  VAL   6          1HG2      VAL   6  -0.627  -0.837   0.815
   59   HG22  VAL   6          2HG2      VAL   6  -1.393  -2.136   1.727
   60   HG23  VAL   6          3HG2      VAL   6  -1.247  -0.527   2.436
   61    H    CYS   7           HN       CYS   7  -5.098  -2.763  -0.754
   62    HA   CYS   7           HA       CYS   7  -6.518  -0.403  -1.689
   63    HB2  CYS   7          2HB       CYS   7  -7.082  -3.341  -2.156
   64    HB3  CYS   7          1HB       CYS   7  -8.184  -2.047  -2.609
   65    H    TYR   8           HN       TYR   8  -7.477   0.480  -0.164
   66    HA   TYR   8           HA       TYR   8  -8.513  -1.129   2.053
   67    HB2  TYR   8          2HB       TYR   8  -6.558   0.458   2.435
   68    HB3  TYR   8          1HB       TYR   8  -7.657   1.765   2.048
   69    HD1  TYR   8          1HD       TYR   8  -9.183   2.605   3.687
   70    HD2  TYR   8          2HD       TYR   8  -6.938  -0.920   4.456
   71    HE1  TYR   8          1HE       TYR   8  -9.821   2.718   6.056
   72    HE2  TYR   8          2HE       TYR   8  -7.563  -0.827   6.804
   73    HH   TYR   8           HH       TYR   8  -8.297   0.793   8.430
   74    H    ARG   9           HN       ARG   9 -10.601  -1.389   1.398
   75    HA   ARG   9           HA       ARG   9 -12.790  -0.912   1.076
   76    HB2  ARG   9          2HB       ARG   9 -11.997   1.893   1.869
   77    HB3  ARG   9          1HB       ARG   9 -13.644   1.288   1.777
   78    HG2  ARG   9          2HG       ARG   9 -13.198  -0.271   3.571
   79    HG3  ARG   9          1HG       ARG   9 -11.513   0.243   3.622
   80    HD2  ARG   9          2HD       ARG   9 -12.183   2.483   4.202
   81    HD3  ARG   9          1HD       ARG   9 -13.883   2.025   4.121
   82    HE   ARG   9           HE       ARG   9 -12.999   0.325   5.921
   83   HH11  ARG   9          1HH1      ARG   9 -12.255   3.761   5.600
   84   HH12  ARG   9          2HH1      ARG   9 -12.202   4.074   7.270
   85   HH21  ARG   9          1HH2      ARG   9 -12.907   0.752   8.254
   86   HH22  ARG   9          2HH2      ARG   9 -12.593   2.322   8.823
   87    H    GLY  10           HN       GLY  10 -10.824  -0.629  -1.061
   88    HA2  GLY  10          2HA       GLY  10 -11.352  -0.353  -3.362
   89    HA3  GLY  10          1HA       GLY  10 -12.497   0.908  -2.911
   90    H    ILE  11           HN       ILE  11 -10.163   1.797  -1.031
   91    HA   ILE  11           HA       ILE  11  -9.049   3.640  -2.969
   92    HB   ILE  11           HB       ILE  11  -8.543   3.436   0.025
   93   HG12  ILE  11          2HG1      ILE  11 -10.908   3.927  -0.407
   94   HG13  ILE  11          1HG1      ILE  11 -10.099   5.328   0.280
   95   HG21  ILE  11          1HG2      ILE  11  -7.969   5.708  -1.871
   96   HG22  ILE  11          2HG2      ILE  11  -6.774   4.605  -1.207
   97   HG23  ILE  11          3HG2      ILE  11  -7.652   5.699  -0.134
   98   HD11  ILE  11          1HD1      ILE  11 -10.819   4.923  -2.619
   99   HD12  ILE  11          2HD1      ILE  11  -9.962   6.318  -1.965
  100   HD13  ILE  11          3HD1      ILE  11 -11.625   5.992  -1.470
  101    H    CYS  12           HN       CYS  12  -7.508   2.699  -4.167
  102    HA   CYS  12           HA       CYS  12  -5.608   0.912  -2.866
  103    HB2  CYS  12          2HB       CYS  12  -6.138   1.407  -5.798
  104    HB3  CYS  12          1HB       CYS  12  -4.972   0.259  -5.147
  105    H    TYR  13           HN       TYR  13  -3.808   1.683  -2.222
  106    HA   TYR  13           HA       TYR  13  -2.501   3.788  -3.752
  107    HB2  TYR  13          2HB       TYR  13  -1.793   4.876  -1.622
  108    HB3  TYR  13          1HB       TYR  13  -3.523   4.923  -1.919
  109    HD1  TYR  13          1HD       TYR  13  -5.065   3.919  -0.412
  110    HD2  TYR  13          2HD       TYR  13  -0.893   3.345   0.147
  111    HE1  TYR  13          1HE       TYR  13  -5.507   3.037   1.821
  112    HE2  TYR  13          2HE       TYR  13  -1.314   2.455   2.399
  113    HH   TYR  13           HH       TYR  13  -3.056   2.617   4.122
  114    H    ARG  14           HN       ARG  14  -0.183   3.960  -3.255
  115    HA   ARG  14           HA       ARG  14   0.921   1.284  -2.946
  116    HB2  ARG  14          2HB       ARG  14   1.555   2.681  -4.924
  117    HB3  ARG  14          1HB       ARG  14   2.273   3.848  -3.819
  118    HG2  ARG  14          2HG       ARG  14   3.775   2.006  -3.029
  119    HG3  ARG  14          1HG       ARG  14   3.161   1.034  -4.367
  120    HD2  ARG  14          2HD       ARG  14   4.592   3.680  -4.556
  121    HD3  ARG  14          1HD       ARG  14   5.240   2.104  -5.003
  122    HE   ARG  14           HE       ARG  14   2.910   2.569  -6.476
  123   HH11  ARG  14          1HH1      ARG  14   6.217   3.801  -6.251
  124   HH12  ARG  14          2HH1      ARG  14   6.289   4.319  -7.870
  125   HH21  ARG  14          1HH2      ARG  14   2.977   3.322  -8.663
  126   HH22  ARG  14          2HH2      ARG  14   4.375   4.067  -9.283
  127    H    LYS  15           HN       LYS  15   1.819   0.730  -1.097
  128    HA   LYS  15           HA       LYS  15   2.738   2.857   0.698
  129    HB2  LYS  15          2HB       LYS  15   0.693   1.610   1.469
  130    HB3  LYS  15          1HB       LYS  15   1.641   0.136   1.440
  131    HG2  LYS  15          2HG       LYS  15   3.123   1.060   3.159
  132    HG3  LYS  15          1HG       LYS  15   2.155   2.535   3.192
  133    HD2  LYS  15          2HD       LYS  15   0.191   1.228   3.866
  134    HD3  LYS  15          1HD       LYS  15   1.161  -0.243   3.836
  135    HE2  LYS  15          2HE       LYS  15   2.634   0.769   5.559
  136    HE3  LYS  15          1HE       LYS  15   1.536   2.141   5.633
  137    HZ1  LYS  15          1HZ       LYS  15  -0.240   0.620   6.323
  138    HZ2  LYS  15          2HZ       LYS  15   1.043   0.581   7.390
  139    HZ3  LYS  15          3HZ       LYS  15   0.832  -0.674   6.288
  140    H    CYS  16           HN       CYS  16   4.869   2.789   0.950
  141    HA   CYS  16           HA       CYS  16   6.230   0.302   0.248
  142    HB2  CYS  16          2HB       CYS  16   7.338   3.107   0.390
  143    HB3  CYS  16          1HB       CYS  16   8.210   1.673  -0.143
  144    H    ARG  17           HN       ARG  17   7.444  -0.730   1.673
  145    HA   ARG  17           HA       ARG  17   7.964   0.513   4.257
  146    HB2  ARG  17          2HB       ARG  17   5.759  -0.728   4.349
  147    HB3  ARG  17          1HB       ARG  17   6.630  -2.200   3.974
  148    HG2  ARG  17          2HG       ARG  17   6.221  -2.160   6.315
  149    HG3  ARG  17          1HG       ARG  17   7.941  -1.873   6.056
  150    HD2  ARG  17          2HD       ARG  17   7.612   0.520   6.380
  151    HD3  ARG  17          1HD       ARG  17   5.876   0.269   6.569
  152    HE   ARG  17           HE       ARG  17   7.663  -1.124   8.391
  153   HH11  ARG  17          1HH1      ARG  17   5.402   1.582   7.918
  154   HH12  ARG  17          2HH1      ARG  17   5.180   1.855   9.579
  155   HH21  ARG  17          1HH2      ARG  17   7.330  -0.734  10.678
  156   HH22  ARG  17          2HH2      ARG  17   6.275   0.507  11.177
  157    HN1  NH2  18          1H        ARG  17   8.113  -2.886   3.360
  158    HN2  NH2  18          2H        ARG  17   9.825  -2.996   3.247
  Start of MODEL   18
    1    H1   LYS   1          1HT       LYS   1  13.402  -0.680   0.294
    2    H2   LYS   1          2HT       LYS   1  11.768  -1.118   0.327
    3    H3   LYS   1          3HT       LYS   1  12.309   0.025  -0.759
    4    HA   LYS   1           HA       LYS   1  13.599  -1.485  -1.945
    5    HB2  LYS   1          2HB       LYS   1  12.554  -3.517   0.034
    6    HB3  LYS   1          1HB       LYS   1  13.352  -3.937  -1.464
    7    HG2  LYS   1          2HG       LYS   1  14.582  -2.372   0.795
    8    HG3  LYS   1          1HG       LYS   1  14.841  -4.083   0.474
    9    HD2  LYS   1          2HD       LYS   1  15.734  -3.452  -1.773
   10    HD3  LYS   1          1HD       LYS   1  15.617  -1.761  -1.286
   11    HE2  LYS   1          2HE       LYS   1  17.879  -2.526  -0.947
   12    HE3  LYS   1          1HE       LYS   1  17.117  -2.248   0.614
   13    HZ1  LYS   1          1HZ       LYS   1  16.760  -4.610   0.857
   14    HZ2  LYS   1          2HZ       LYS   1  18.381  -4.301   0.573
   15    HZ3  LYS   1          3HZ       LYS   1  17.414  -4.904  -0.672
   16    H    TRP   2           HN       TRP   2  10.626  -3.119  -0.731
   17    HA   TRP   2           HA       TRP   2   9.606  -2.699  -3.424
   18    HB2  TRP   2          2HB       TRP   2   9.048  -4.983  -1.535
   19    HB3  TRP   2          1HB       TRP   2   8.226  -4.735  -3.072
   20    HD1  TRP   2          1HD       TRP   2   9.889  -4.804  -5.305
   21    HE1  TRP   2          1HE       TRP   2  11.960  -6.283  -5.728
   22    HE3  TRP   2          3HE       TRP   2  10.916  -6.150  -0.490
   23    HZ2  TRP   2          2HZ       TRP   2  13.778  -7.817  -4.213
   24    HZ3  TRP   2          3HZ       TRP   2  12.833  -7.630  -0.058
   25    HH2  TRP   2          2HH       TRP   2  14.234  -8.444  -1.887
   26    H    CYS   3           HN       CYS   3   7.583  -2.073  -3.746
   27    HA   CYS   3           HA       CYS   3   6.207  -0.927  -1.439
   28    HB2  CYS   3          2HB       CYS   3   6.179  -0.201  -4.361
   29    HB3  CYS   3          1HB       CYS   3   5.140   0.520  -3.142
   30    H    PHE   4           HN       PHE   4   4.202  -1.566  -1.034
   31    HA   PHE   4           HA       PHE   4   2.987  -3.405  -2.937
   32    HB2  PHE   4          2HB       PHE   4   1.812  -4.417  -1.002
   33    HB3  PHE   4          1HB       PHE   4   3.551  -4.684  -0.988
   34    HD1  PHE   4          1HD       PHE   4   4.947  -3.293   0.628
   35    HD2  PHE   4          2HD       PHE   4   0.691  -3.412   0.787
   36    HE1  PHE   4          1HE       PHE   4   5.011  -2.461   2.936
   37    HE2  PHE   4          2HE       PHE   4   0.756  -2.582   3.088
   38    HZ   PHE   4           HZ       PHE   4   2.909  -2.100   4.169
   39    H    ARG   5           HN       ARG   5   0.734  -3.335  -3.121
   40    HA   ARG   5           HA       ARG   5  -0.259  -0.655  -2.578
   41    HB2  ARG   5          2HB       ARG   5  -0.085  -1.365  -4.951
   42    HB3  ARG   5          1HB       ARG   5  -1.231  -2.656  -4.615
   43    HG2  ARG   5          2HG       ARG   5  -2.892  -0.946  -3.972
   44    HG3  ARG   5          1HG       ARG   5  -1.740   0.305  -4.443
   45    HD2  ARG   5          2HD       ARG   5  -3.256  -0.040  -6.256
   46    HD3  ARG   5          1HD       ARG   5  -1.689  -0.704  -6.720
   47    HE   ARG   5           HE       ARG   5  -2.979  -2.840  -5.686
   48   HH11  ARG   5          1HH1      ARG   5  -3.920  -0.488  -8.162
   49   HH12  ARG   5          2HH1      ARG   5  -4.863  -1.599  -9.040
   50   HH21  ARG   5          1HH2      ARG   5  -4.283  -4.360  -6.890
   51   HH22  ARG   5          2HH2      ARG   5  -5.096  -3.839  -8.284
   52    H    VAL   6           HN       VAL   6  -1.783  -0.477  -1.142
   53    HA   VAL   6           HA       VAL   6  -3.145  -2.886  -0.195
   54    HB   VAL   6           HB       VAL   6  -2.976  -0.136   1.085
   55   HG11  VAL   6          1HG1      VAL   6  -5.017  -1.364   1.724
   56   HG12  VAL   6          2HG1      VAL   6  -3.916  -1.172   3.072
   57   HG13  VAL   6          3HG1      VAL   6  -4.026  -2.725   2.255
   58   HG21  VAL   6          1HG2      VAL   6  -0.809  -1.227   1.087
   59   HG22  VAL   6          2HG2      VAL   6  -1.524  -2.675   1.799
   60   HG23  VAL   6          3HG2      VAL   6  -1.477  -1.173   2.717
   61    H    CYS   7           HN       CYS   7  -5.228  -3.100  -0.675
   62    HA   CYS   7           HA       CYS   7  -6.609  -0.771  -1.767
   63    HB2  CYS   7          2HB       CYS   7  -7.015  -3.724  -2.245
   64    HB3  CYS   7          1HB       CYS   7  -8.178  -2.505  -2.746
   65    H    TYR   8           HN       TYR   8  -7.780   0.174  -0.321
   66    HA   TYR   8           HA       TYR   8  -9.274  -1.516   1.543
   67    HB2  TYR   8          2HB       TYR   8  -7.182  -0.252   2.444
   68    HB3  TYR   8          1HB       TYR   8  -8.176   1.184   2.265
   69    HD1  TYR   8          1HD       TYR   8  -7.407  -1.611   4.340
   70    HD2  TYR   8          2HD       TYR   8 -10.443   1.253   3.529
   71    HE1  TYR   8          1HE       TYR   8  -8.407  -2.095   6.479
   72    HE2  TYR   8          2HE       TYR   8 -11.471   0.786   5.688
   73    HH   TYR   8           HH       TYR   8  -9.959  -1.048   8.127
   74    H    ARG   9           HN       ARG   9 -11.339  -1.124   1.342
   75    HA   ARG   9           HA       ARG   9 -13.324  -0.316   0.731
   76    HB2  ARG   9          2HB       ARG   9 -13.970   1.911   1.556
   77    HB3  ARG   9          1HB       ARG   9 -13.014   1.025   2.714
   78    HG2  ARG   9          2HG       ARG   9 -11.060   2.430   2.140
   79    HG3  ARG   9          1HG       ARG   9 -12.068   3.292   0.991
   80    HD2  ARG   9          2HD       ARG   9 -11.776   4.359   3.259
   81    HD3  ARG   9          1HD       ARG   9 -13.428   4.214   2.660
   82    HE   ARG   9           HE       ARG   9 -13.635   2.242   4.092
   83   HH11  ARG   9          1HH1      ARG   9 -11.046   4.511   4.960
   84   HH12  ARG   9          2HH1      ARG   9 -11.170   4.187   6.630
   85   HH21  ARG   9          1HH2      ARG   9 -13.757   1.825   6.410
   86   HH22  ARG   9          2HH2      ARG   9 -12.704   2.636   7.457
   87    H    GLY  10           HN       GLY  10 -11.402  -0.357  -1.370
   88    HA2  GLY  10          2HA       GLY  10 -11.933  -0.044  -3.656
   89    HA3  GLY  10          1HA       GLY  10 -12.877   1.376  -3.213
   90    H    ILE  11           HN       ILE  11 -10.351   1.879  -1.414
   91    HA   ILE  11           HA       ILE  11  -9.040   3.552  -3.402
   92    HB   ILE  11           HB       ILE  11  -8.774   3.516  -0.382
   93   HG12  ILE  11          2HG1      ILE  11 -11.059   4.147  -1.050
   94   HG13  ILE  11          1HG1      ILE  11 -10.202   5.505  -0.338
   95   HG21  ILE  11          1HG2      ILE  11  -7.745   5.733  -0.656
   96   HG22  ILE  11          2HG2      ILE  11  -7.837   5.544  -2.407
   97   HG23  ILE  11          3HG2      ILE  11  -6.824   4.457  -1.453
   98   HD11  ILE  11          1HD1      ILE  11 -11.529   6.195  -2.248
   99   HD12  ILE  11          2HD1      ILE  11 -10.682   5.038  -3.274
  100   HD13  ILE  11          3HD1      ILE  11  -9.810   6.406  -2.581
  101    H    CYS  12           HN       CYS  12  -7.410   2.487  -4.346
  102    HA   CYS  12           HA       CYS  12  -5.769   0.729  -2.695
  103    HB2  CYS  12          2HB       CYS  12  -5.831   1.084  -5.701
  104    HB3  CYS  12          1HB       CYS  12  -4.804  -0.048  -4.830
  105    H    TYR  13           HN       TYR  13  -3.994   1.481  -1.884
  106    HA   TYR  13           HA       TYR  13  -2.648   3.715  -3.217
  107    HB2  TYR  13          2HB       TYR  13  -2.183   4.685  -0.983
  108    HB3  TYR  13          1HB       TYR  13  -3.901   4.622  -1.361
  109    HD1  TYR  13          1HD       TYR  13  -5.386   3.107  -0.137
  110    HD2  TYR  13          2HD       TYR  13  -1.242   3.346   0.791
  111    HE1  TYR  13          1HE       TYR  13  -5.803   1.957   1.967
  112    HE2  TYR  13          2HE       TYR  13  -1.637   2.207   2.897
  113    HH   TYR  13           HH       TYR  13  -3.504   1.831   4.449
  114    H    ARG  14           HN       ARG  14  -0.376   3.967  -2.239
  115    HA   ARG  14           HA       ARG  14   0.771   1.276  -2.158
  116    HB2  ARG  14          2HB       ARG  14   1.426   2.259  -4.176
  117    HB3  ARG  14          1HB       ARG  14   1.711   3.821  -3.425
  118    HG2  ARG  14          2HG       ARG  14   3.636   2.880  -2.238
  119    HG3  ARG  14          1HG       ARG  14   3.334   1.337  -3.033
  120    HD2  ARG  14          2HD       ARG  14   3.794   3.866  -4.575
  121    HD3  ARG  14          1HD       ARG  14   5.129   2.860  -4.023
  122    HE   ARG  14           HE       ARG  14   3.266   1.265  -5.371
  123   HH11  ARG  14          1HH1      ARG  14   5.609   3.821  -6.045
  124   HH12  ARG  14          2HH1      ARG  14   6.020   3.223  -7.585
  125   HH21  ARG  14          1HH2      ARG  14   3.862   0.438  -7.500
  126   HH22  ARG  14          2HH2      ARG  14   5.011   1.290  -8.426
  127    H    LYS  15           HN       LYS  15   1.973   0.680  -0.496
  128    HA   LYS  15           HA       LYS  15   3.064   2.751   1.275
  129    HB2  LYS  15          2HB       LYS  15   2.328  -0.114   1.971
  130    HB3  LYS  15          1HB       LYS  15   3.054   1.046   3.071
  131    HG2  LYS  15          2HG       LYS  15   1.025   2.461   2.841
  132    HG3  LYS  15          1HG       LYS  15   0.306   1.203   1.838
  133    HD2  LYS  15          2HD       LYS  15  -0.533   0.969   4.112
  134    HD3  LYS  15          1HD       LYS  15   0.536  -0.382   3.750
  135    HE2  LYS  15          2HE       LYS  15   2.335   0.649   4.965
  136    HE3  LYS  15          1HE       LYS  15   1.376   2.104   5.243
  137    HZ1  LYS  15          1HZ       LYS  15  -0.143   0.732   6.574
  138    HZ2  LYS  15          2HZ       LYS  15   1.416   0.716   7.183
  139    HZ3  LYS  15          3HZ       LYS  15   0.845  -0.618   6.336
  140    H    CYS  16           HN       CYS  16   5.291   2.542   1.792
  141    HA   CYS  16           HA       CYS  16   6.743   0.420   0.370
  142    HB2  CYS  16          2HB       CYS  16   7.403   3.357   0.284
  143    HB3  CYS  16          1HB       CYS  16   8.354   2.065  -0.424
  144    H    ARG  17           HN       ARG  17   8.616  -0.227   1.349
  145    HA   ARG  17           HA       ARG  17   9.464   1.187   3.765
  146    HB2  ARG  17          2HB       ARG  17   9.108  -1.788   3.401
  147    HB3  ARG  17          1HB       ARG  17  10.126  -1.120   4.661
  148    HG2  ARG  17          2HG       ARG  17   7.168  -0.639   4.344
  149    HG3  ARG  17          1HG       ARG  17   7.925  -1.730   5.509
  150    HD2  ARG  17          2HD       ARG  17   9.136   0.241   6.459
  151    HD3  ARG  17          1HD       ARG  17   8.198   1.280   5.385
  152    HE   ARG  17           HE       ARG  17   6.563  -0.432   6.932
  153   HH11  ARG  17          1HH1      ARG  17   8.386   2.623   7.132
  154   HH12  ARG  17          2HH1      ARG  17   7.419   3.259   8.371
  155   HH21  ARG  17          1HH2      ARG  17   5.288   0.459   8.667
  156   HH22  ARG  17          2HH2      ARG  17   5.644   2.004   9.274
  157    HN1  NH2  18          1H        ARG  17  11.138   2.180   2.812
  158    HN2  NH2  18          2H        ARG  17  12.469   1.365   2.088
  Start of MODEL   19
    1    H1   LYS   1          1HT       LYS   1  13.532   0.846  -4.064
    2    H2   LYS   1          2HT       LYS   1  12.581  -0.255  -4.962
    3    H3   LYS   1          3HT       LYS   1  13.400  -0.776  -3.602
    4    HA   LYS   1           HA       LYS   1  12.089   0.492  -2.179
    5    HB2  LYS   1          2HB       LYS   1  10.083   1.693  -3.105
    6    HB3  LYS   1          1HB       LYS   1  11.617   2.445  -3.510
    7    HG2  LYS   1          2HG       LYS   1  11.495   1.475  -5.755
    8    HG3  LYS   1          1HG       LYS   1   9.958   0.710  -5.341
    9    HD2  LYS   1          2HD       LYS   1   8.944   2.891  -5.011
   10    HD3  LYS   1          1HD       LYS   1  10.490   3.680  -5.324
   11    HE2  LYS   1          2HE       LYS   1   9.073   3.780  -7.295
   12    HE3  LYS   1          1HE       LYS   1  10.486   2.778  -7.599
   13    HZ1  LYS   1          1HZ       LYS   1   8.521   1.768  -8.492
   14    HZ2  LYS   1          2HZ       LYS   1   7.735   1.766  -7.019
   15    HZ3  LYS   1          3HZ       LYS   1   9.104   0.803  -7.258
   16    H    TRP   2           HN       TRP   2  10.903  -0.951  -1.153
   17    HA   TRP   2           HA       TRP   2   9.401  -2.820  -2.804
   18    HB2  TRP   2          2HB       TRP   2  10.598  -3.217  -0.058
   19    HB3  TRP   2          1HB       TRP   2   9.440  -4.332  -0.772
   20    HD1  TRP   2          1HD       TRP   2  10.325  -5.203  -3.373
   21    HE1  TRP   2          1HE       TRP   2  12.651  -6.133  -3.959
   22    HE3  TRP   2          3HE       TRP   2  12.968  -3.260   0.539
   23    HZ2  TRP   2          2HZ       TRP   2  15.260  -6.067  -2.877
   24    HZ3  TRP   2          3HZ       TRP   2  15.375  -3.748   0.695
   25    HH2  TRP   2          2HH       TRP   2  16.491  -5.122  -0.985
   26    H    CYS   3           HN       CYS   3   7.407  -2.322  -2.936
   27    HA   CYS   3           HA       CYS   3   5.995  -1.301  -0.592
   28    HB2  CYS   3          2HB       CYS   3   5.646  -0.284  -3.417
   29    HB3  CYS   3          1HB       CYS   3   4.916   0.356  -1.951
   30    H    PHE   4           HN       PHE   4   3.921  -2.086  -0.481
   31    HA   PHE   4           HA       PHE   4   3.146  -3.902  -2.623
   32    HB2  PHE   4          2HB       PHE   4   1.746  -5.030  -0.843
   33    HB3  PHE   4          1HB       PHE   4   3.478  -5.365  -0.792
   34    HD1  PHE   4          1HD       PHE   4   4.853  -4.147   0.973
   35    HD2  PHE   4          2HD       PHE   4   0.598  -4.142   0.974
   36    HE1  PHE   4          1HE       PHE   4   4.857  -3.484   3.338
   37    HE2  PHE   4          2HE       PHE   4   0.605  -3.473   3.337
   38    HZ   PHE   4           HZ       PHE   4   2.729  -3.148   4.516
   39    H    ARG   5           HN       ARG   5   0.988  -3.940  -3.219
   40    HA   ARG   5           HA       ARG   5  -0.147  -1.328  -2.834
   41    HB2  ARG   5          2HB       ARG   5   0.150  -2.317  -5.115
   42    HB3  ARG   5          1HB       ARG   5  -1.063  -3.517  -4.694
   43    HG2  ARG   5          2HG       ARG   5  -2.707  -1.722  -4.385
   44    HG3  ARG   5          1HG       ARG   5  -1.486  -0.543  -4.863
   45    HD2  ARG   5          2HD       ARG   5  -1.250  -1.784  -7.017
   46    HD3  ARG   5          1HD       ARG   5  -2.627  -2.772  -6.531
   47    HE   ARG   5           HE       ARG   5  -2.787   0.151  -6.824
   48   HH11  ARG   5          1HH1      ARG   5  -4.189  -3.044  -7.400
   49   HH12  ARG   5          2HH1      ARG   5  -5.498  -2.424  -8.311
   50   HH21  ARG   5          1HH2      ARG   5  -4.573   0.949  -8.027
   51   HH22  ARG   5          2HH2      ARG   5  -5.752  -0.107  -8.640
   52    H    VAL   6           HN       VAL   6  -1.734  -0.993  -1.502
   53    HA   VAL   6           HA       VAL   6  -3.301  -3.293  -0.542
   54    HB   VAL   6           HB       VAL   6  -2.820  -0.652   0.877
   55   HG11  VAL   6          1HG1      VAL   6  -4.079  -3.199   1.872
   56   HG12  VAL   6          2HG1      VAL   6  -4.937  -1.707   1.496
   57   HG13  VAL   6          3HG1      VAL   6  -3.803  -1.752   2.840
   58   HG21  VAL   6          1HG2      VAL   6  -1.573  -3.339   1.426
   59   HG22  VAL   6          2HG2      VAL   6  -1.365  -1.885   2.407
   60   HG23  VAL   6          3HG2      VAL   6  -0.751  -1.933   0.755
   61    H    CYS   7           HN       CYS   7  -5.434  -3.200  -0.934
   62    HA   CYS   7           HA       CYS   7  -6.520  -0.651  -1.837
   63    HB2  CYS   7          2HB       CYS   7  -7.376  -3.481  -2.471
   64    HB3  CYS   7          1HB       CYS   7  -8.330  -2.059  -2.880
   65    H    TYR   8           HN       TYR   8  -7.489   0.327  -0.287
   66    HA   TYR   8           HA       TYR   8  -9.059  -1.281   1.599
   67    HB2  TYR   8          2HB       TYR   8  -6.874  -0.158   2.430
   68    HB3  TYR   8          1HB       TYR   8  -7.754   1.352   2.250
   69    HD1  TYR   8          1HD       TYR   8 -10.068   1.492   3.566
   70    HD2  TYR   8          2HD       TYR   8  -6.977  -1.317   4.400
   71    HE1  TYR   8          1HE       TYR   8 -10.959   1.183   5.823
   72    HE2  TYR   8          2HE       TYR   8  -7.845  -1.640   6.624
   73    HH   TYR   8           HH       TYR   8  -9.237  -0.383   8.270
   74    H    ARG   9           HN       ARG   9 -11.111  -0.816   1.319
   75    HA   ARG   9           HA       ARG   9 -13.084   0.124   0.813
   76    HB2  ARG   9          2HB       ARG   9 -13.627   2.330   1.713
   77    HB3  ARG   9          1HB       ARG   9 -12.639   1.438   2.841
   78    HG2  ARG   9          2HG       ARG   9 -10.710   2.800   2.284
   79    HG3  ARG   9          1HG       ARG   9 -11.620   3.582   1.004
   80    HD2  ARG   9          2HD       ARG   9 -12.483   3.676   3.872
   81    HD3  ARG   9          1HD       ARG   9 -11.388   4.851   3.144
   82    HE   ARG   9           HE       ARG   9 -13.468   4.842   1.442
   83   HH11  ARG   9          1HH1      ARG   9 -13.326   5.274   4.955
   84   HH12  ARG   9          2HH1      ARG   9 -14.640   6.338   5.019
   85   HH21  ARG   9          1HH2      ARG   9 -15.230   6.299   1.500
   86   HH22  ARG   9          2HH2      ARG   9 -15.791   6.935   2.969
   87    H    GLY  10           HN       GLY  10 -11.117   0.128  -1.313
   88    HA2  GLY  10          2HA       GLY  10 -11.618   0.575  -3.591
   89    HA3  GLY  10          1HA       GLY  10 -12.535   1.986  -3.082
   90    H    ILE  11           HN       ILE  11  -9.885   2.174  -1.272
   91    HA   ILE  11           HA       ILE  11  -8.494   3.872  -3.192
   92    HB   ILE  11           HB       ILE  11  -8.258   3.715  -0.176
   93   HG12  ILE  11          2HG1      ILE  11 -10.456   4.533  -0.893
   94   HG13  ILE  11          1HG1      ILE  11  -9.524   5.784  -0.089
   95   HG21  ILE  11          1HG2      ILE  11  -6.210   4.524  -1.219
   96   HG22  ILE  11          2HG2      ILE  11  -7.026   5.844  -0.375
   97   HG23  ILE  11          3HG2      ILE  11  -7.129   5.722  -2.129
   98   HD11  ILE  11          1HD1      ILE  11  -9.928   5.489  -3.066
   99   HD12  ILE  11          2HD1      ILE  11  -8.993   6.762  -2.283
  100   HD13  ILE  11          3HD1      ILE  11 -10.734   6.657  -2.021
  101    H    CYS  12           HN       CYS  12  -6.982   2.731  -4.192
  102    HA   CYS  12           HA       CYS  12  -5.457   0.761  -2.695
  103    HB2  CYS  12          2HB       CYS  12  -5.565   1.319  -5.665
  104    HB3  CYS  12          1HB       CYS  12  -4.672   0.013  -4.897
  105    H    TYR  13           HN       TYR  13  -3.501   1.190  -2.074
  106    HA   TYR  13           HA       TYR  13  -2.056   3.406  -3.308
  107    HB2  TYR  13          2HB       TYR  13  -1.277   4.076  -1.019
  108    HB3  TYR  13          1HB       TYR  13  -2.985   4.364  -1.319
  109    HD1  TYR  13          1HD       TYR  13  -0.550   2.377   0.611
  110    HD2  TYR  13          2HD       TYR  13  -4.686   3.084  -0.145
  111    HE1  TYR  13          1HE       TYR  13  -1.141   1.143   2.637
  112    HE2  TYR  13          2HE       TYR  13  -5.267   1.842   1.885
  113    HH   TYR  13           HH       TYR  13  -2.935   0.998   4.193
  114    H    ARG  14           HN       ARG  14   0.269   3.338  -2.719
  115    HA   ARG  14           HA       ARG  14   1.200   0.558  -2.625
  116    HB2  ARG  14          2HB       ARG  14   2.764   3.044  -3.353
  117    HB3  ARG  14          1HB       ARG  14   3.276   1.379  -3.557
  118    HG2  ARG  14          2HG       ARG  14   1.007   2.692  -5.021
  119    HG3  ARG  14          1HG       ARG  14   2.627   2.448  -5.665
  120    HD2  ARG  14          2HD       ARG  14   2.342   0.041  -5.482
  121    HD3  ARG  14          1HD       ARG  14   0.734   0.272  -4.791
  122    HE   ARG  14           HE       ARG  14   0.452   1.585  -7.032
  123   HH11  ARG  14          1HH1      ARG  14   2.020  -1.567  -6.545
  124   HH12  ARG  14          2HH1      ARG  14   1.621  -2.163  -8.070
  125   HH21  ARG  14          1HH2      ARG  14  -0.115   0.732  -9.173
  126   HH22  ARG  14          2HH2      ARG  14   0.362  -0.831  -9.600
  127    H    LYS  15           HN       LYS  15   1.498   0.037  -0.558
  128    HA   LYS  15           HA       LYS  15   2.406   2.056   1.301
  129    HB2  LYS  15          2HB       LYS  15   0.607   0.381   1.876
  130    HB3  LYS  15          1HB       LYS  15   1.851  -0.860   1.833
  131    HG2  LYS  15          2HG       LYS  15   3.071   0.254   3.602
  132    HG3  LYS  15          1HG       LYS  15   1.873   1.547   3.622
  133    HD2  LYS  15          2HD       LYS  15   0.158  -0.087   4.258
  134    HD3  LYS  15          1HD       LYS  15   1.393  -1.346   4.293
  135    HE2  LYS  15          2HE       LYS  15   1.356   1.153   5.968
  136    HE3  LYS  15          1HE       LYS  15   0.935  -0.461   6.551
  137    HZ1  LYS  15          1HZ       LYS  15   3.615   0.471   5.622
  138    HZ2  LYS  15          2HZ       LYS  15   3.260  -1.128   6.046
  139    HZ3  LYS  15          3HZ       LYS  15   3.160   0.074   7.190
  140    H    CYS  16           HN       CYS  16   4.463   2.397   1.506
  141    HA   CYS  16           HA       CYS  16   6.343   0.357   0.605
  142    HB2  CYS  16          2HB       CYS  16   6.709   3.320   1.060
  143    HB3  CYS  16          1HB       CYS  16   7.970   2.221   0.509
  144    H    ARG  17           HN       ARG  17   8.146  -0.186   1.845
  145    HA   ARG  17           HA       ARG  17   7.619   0.053   4.705
  146    HB2  ARG  17          2HB       ARG  17   9.602  -1.715   3.289
  147    HB3  ARG  17          1HB       ARG  17   9.126  -1.830   4.977
  148    HG2  ARG  17          2HG       ARG  17   6.864  -2.475   4.270
  149    HG3  ARG  17          1HG       ARG  17   7.372  -2.364   2.584
  150    HD2  ARG  17          2HD       ARG  17   8.364  -4.283   4.685
  151    HD3  ARG  17          1HD       ARG  17   7.482  -4.660   3.202
  152    HE   ARG  17           HE       ARG  17  10.069  -3.357   2.939
  153   HH11  ARG  17          1HH1      ARG  17   8.213  -6.351   2.509
  154   HH12  ARG  17          2HH1      ARG  17   9.518  -7.165   1.781
  155   HH21  ARG  17          1HH2      ARG  17  11.775  -4.468   1.974
  156   HH22  ARG  17          2HH2      ARG  17  11.566  -6.074   1.443
  157    HN1  NH2  18          1H        ARG  17  10.716  -0.324   3.039
  158    HN2  NH2  18          2H        ARG  17  11.466   1.051   3.763
  Start of MODEL   20
    1    H1   LYS   1          1HT       LYS   1  14.255  -0.987   0.657
    2    H2   LYS   1          2HT       LYS   1  14.144  -1.615  -0.922
    3    H3   LYS   1          3HT       LYS   1  13.347  -2.370   0.347
    4    HA   LYS   1           HA       LYS   1  11.903  -0.633   0.679
    5    HB2  LYS   1          2HB       LYS   1  11.924   1.330  -0.939
    6    HB3  LYS   1          1HB       LYS   1  13.187   1.306   0.277
    7    HG2  LYS   1          2HG       LYS   1  14.718   0.330  -1.482
    8    HG3  LYS   1          1HG       LYS   1  13.439   0.642  -2.651
    9    HD2  LYS   1          2HD       LYS   1  14.653   2.764  -0.883
   10    HD3  LYS   1          1HD       LYS   1  15.209   2.425  -2.517
   11    HE2  LYS   1          2HE       LYS   1  12.392   3.219  -1.799
   12    HE3  LYS   1          1HE       LYS   1  13.632   4.350  -2.333
   13    HZ1  LYS   1          1HZ       LYS   1  12.233   3.690  -4.159
   14    HZ2  LYS   1          2HZ       LYS   1  12.554   2.066  -3.924
   15    HZ3  LYS   1          3HZ       LYS   1  13.790   3.118  -4.401
   16    H    TRP   2           HN       TRP   2  10.455  -2.109   0.214
   17    HA   TRP   2           HA       TRP   2   9.889  -2.700  -2.594
   18    HB2  TRP   2          2HB       TRP   2  10.333  -4.623  -1.083
   19    HB3  TRP   2          1HB       TRP   2   8.995  -4.104  -0.064
   20    HD1  TRP   2          1HD       TRP   2   6.704  -5.047  -0.648
   21    HE1  TRP   2          1HE       TRP   2   5.715  -6.444  -2.598
   22    HE3  TRP   2          3HE       TRP   2  10.681  -4.908  -3.805
   23    HZ2  TRP   2          2HZ       TRP   2   6.551  -7.335  -5.147
   24    HZ3  TRP   2          3HZ       TRP   2  10.518  -6.042  -5.974
   25    HH2  TRP   2          2HH       TRP   2   8.489  -7.230  -6.623
   26    H    CYS   3           HN       CYS   3   7.897  -2.274  -3.439
   27    HA   CYS   3           HA       CYS   3   6.087  -0.753  -1.731
   28    HB2  CYS   3          2HB       CYS   3   6.696  -0.383  -4.665
   29    HB3  CYS   3          1HB       CYS   3   5.416   0.455  -3.797
   30    H    PHE   4           HN       PHE   4   4.092  -1.480  -1.594
   31    HA   PHE   4           HA       PHE   4   3.213  -3.472  -3.523
   32    HB2  PHE   4          2HB       PHE   4   1.999  -4.490  -1.531
   33    HB3  PHE   4          1HB       PHE   4   3.738  -4.794  -1.638
   34    HD1  PHE   4          1HD       PHE   4   5.273  -3.593  -0.087
   35    HD2  PHE   4          2HD       PHE   4   1.048  -3.287   0.293
   36    HE1  PHE   4          1HE       PHE   4   5.546  -2.690   2.185
   37    HE2  PHE   4          2HE       PHE   4   1.318  -2.387   2.559
   38    HZ   PHE   4           HZ       PHE   4   3.567  -2.083   3.508
   39    H    ARG   5           HN       ARG   5   0.979  -3.517  -3.864
   40    HA   ARG   5           HA       ARG   5  -0.241  -0.956  -3.434
   41    HB2  ARG   5          2HB       ARG   5  -0.524  -1.876  -5.647
   42    HB3  ARG   5          1HB       ARG   5  -1.161  -3.378  -5.000
   43    HG2  ARG   5          2HG       ARG   5  -3.158  -2.186  -4.210
   44    HG3  ARG   5          1HG       ARG   5  -2.507  -0.684  -4.855
   45    HD2  ARG   5          2HD       ARG   5  -3.035  -3.121  -6.548
   46    HD3  ARG   5          1HD       ARG   5  -4.222  -1.843  -6.302
   47    HE   ARG   5           HE       ARG   5  -1.824  -0.700  -7.161
   48   HH11  ARG   5          1HH1      ARG   5  -4.339  -2.836  -8.476
   49   HH12  ARG   5          2HH1      ARG   5  -4.236  -2.199 -10.046
   50   HH21  ARG   5          1HH2      ARG   5  -1.688   0.144  -9.412
   51   HH22  ARG   5          2HH2      ARG   5  -2.738  -0.523 -10.571
   52    H    VAL   6           HN       VAL   6  -1.745  -0.487  -2.007
   53    HA   VAL   6           HA       VAL   6  -2.958  -2.673  -0.488
   54    HB   VAL   6           HB       VAL   6  -2.261   0.129   0.474
   55   HG11  VAL   6          1HG1      VAL   6  -3.524  -2.167   1.979
   56   HG12  VAL   6          2HG1      VAL   6  -4.334  -0.681   1.487
   57   HG13  VAL   6          3HG1      VAL   6  -3.034  -0.623   2.679
   58   HG21  VAL   6          1HG2      VAL   6  -0.303  -1.299   0.322
   59   HG22  VAL   6          2HG2      VAL   6  -1.121  -2.539   1.274
   60   HG23  VAL   6          3HG2      VAL   6  -0.723  -0.985   2.005
   61    H    CYS   7           HN       CYS   7  -5.060  -2.716  -0.681
   62    HA   CYS   7           HA       CYS   7  -6.404  -0.300  -1.588
   63    HB2  CYS   7          2HB       CYS   7  -7.289  -3.196  -1.744
   64    HB3  CYS   7          1HB       CYS   7  -8.246  -1.819  -2.279
   65    H    TYR   8           HN       TYR   8  -7.126   0.752  -0.044
   66    HA   TYR   8           HA       TYR   8  -7.916  -0.601   2.425
   67    HB2  TYR   8          2HB       TYR   8  -5.957   1.042   2.354
   68    HB3  TYR   8          1HB       TYR   8  -7.156   2.283   2.050
   69    HD1  TYR   8          1HD       TYR   8  -6.059  -0.241   4.501
   70    HD2  TYR   8          2HD       TYR   8  -8.389   3.247   3.837
   71    HE1  TYR   8          1HE       TYR   8  -6.337   0.014   6.909
   72    HE2  TYR   8          2HE       TYR   8  -8.682   3.518   6.259
   73    HH   TYR   8           HH       TYR   8  -6.803   1.839   8.480
   74    H    ARG   9           HN       ARG   9 -10.005  -0.935   2.113
   75    HA   ARG   9           HA       ARG   9 -12.208  -0.578   2.073
   76    HB2  ARG   9          2HB       ARG   9 -11.458   2.301   2.573
   77    HB3  ARG   9          1HB       ARG   9 -13.082   1.655   2.729
   78    HG2  ARG   9          2HG       ARG   9 -12.244   0.120   4.506
   79    HG3  ARG   9          1HG       ARG   9 -10.673   0.897   4.366
   80    HD2  ARG   9          2HD       ARG   9 -13.238   2.289   5.096
   81    HD3  ARG   9          1HD       ARG   9 -11.984   1.798   6.233
   82    HE   ARG   9           HE       ARG   9 -10.944   3.427   4.156
   83   HH11  ARG   9          1HH1      ARG   9 -12.812   3.642   7.129
   84   HH12  ARG   9          2HH1      ARG   9 -12.268   5.199   7.549
   85   HH21  ARG   9          1HH2      ARG   9 -10.179   5.563   4.691
   86   HH22  ARG   9          2HH2      ARG   9 -10.725   6.321   6.112
   87    H    GLY  10           HN       GLY  10 -10.708  -0.517  -0.357
   88    HA2  GLY  10          2HA       GLY  10 -11.650  -0.521  -2.527
   89    HA3  GLY  10          1HA       GLY  10 -12.690   0.813  -2.050
   90    H    ILE  11           HN       ILE  11  -9.940   1.819  -0.811
   91    HA   ILE  11           HA       ILE  11  -9.237   3.351  -3.202
   92    HB   ILE  11           HB       ILE  11  -8.339   3.708  -0.324
   93   HG12  ILE  11          2HG1      ILE  11 -10.758   4.029  -0.495
   94   HG13  ILE  11          1HG1      ILE  11  -9.950   5.557  -0.185
   95   HG21  ILE  11          1HG2      ILE  11  -8.114   5.577  -2.678
   96   HG22  ILE  11          2HG2      ILE  11  -6.792   4.698  -1.916
   97   HG23  ILE  11          3HG2      ILE  11  -7.646   5.957  -1.021
   98   HD11  ILE  11          1HD1      ILE  11 -10.192   6.141  -2.554
   99   HD12  ILE  11          2HD1      ILE  11 -11.750   5.826  -1.786
  100   HD13  ILE  11          3HD1      ILE  11 -11.025   4.613  -2.839
  101    H    CYS  12           HN       CYS  12  -7.618   2.478  -4.400
  102    HA   CYS  12           HA       CYS  12  -5.666   0.786  -3.039
  103    HB2  CYS  12          2HB       CYS  12  -6.338   1.030  -5.968
  104    HB3  CYS  12          1HB       CYS  12  -5.138  -0.067  -5.289
  105    H    TYR  13           HN       TYR  13  -3.715   1.439  -2.703
  106    HA   TYR  13           HA       TYR  13  -2.469   3.424  -4.437
  107    HB2  TYR  13          2HB       TYR  13  -1.689   4.709  -2.441
  108    HB3  TYR  13          1HB       TYR  13  -3.431   4.756  -2.682
  109    HD1  TYR  13          1HD       TYR  13  -0.723   3.471  -0.475
  110    HD2  TYR  13          2HD       TYR  13  -4.941   3.770  -1.087
  111    HE1  TYR  13          1HE       TYR  13  -1.110   2.797   1.824
  112    HE2  TYR  13          2HE       TYR  13  -5.315   3.085   1.224
  113    HH   TYR  13           HH       TYR  13  -2.882   3.078   3.501
  114    H    ARG  14           HN       ARG  14  -0.106   3.578  -3.898
  115    HA   ARG  14           HA       ARG  14   0.864   0.936  -3.170
  116    HB2  ARG  14          2HB       ARG  14   2.388   3.334  -4.184
  117    HB3  ARG  14          1HB       ARG  14   3.104   1.787  -3.792
  118    HG2  ARG  14          2HG       ARG  14   1.711   0.760  -5.564
  119    HG3  ARG  14          1HG       ARG  14   1.158   2.379  -6.002
  120    HD2  ARG  14          2HD       ARG  14   4.000   1.388  -6.019
  121    HD3  ARG  14          1HD       ARG  14   3.002   1.725  -7.434
  122    HE   ARG  14           HE       ARG  14   2.959   4.084  -6.265
  123   HH11  ARG  14          1HH1      ARG  14   5.736   1.956  -6.838
  124   HH12  ARG  14          2HH1      ARG  14   6.866   3.233  -6.817
  125   HH21  ARG  14          1HH2      ARG  14   4.514   5.803  -6.222
  126   HH22  ARG  14          2HH2      ARG  14   6.169   5.438  -6.453
  127    H    LYS  15           HN       LYS  15   1.898   0.503  -1.398
  128    HA   LYS  15           HA       LYS  15   2.594   2.695   0.384
  129    HB2  LYS  15          2HB       LYS  15   0.544   1.404   1.077
  130    HB3  LYS  15          1HB       LYS  15   1.538  -0.038   1.127
  131    HG2  LYS  15          2HG       LYS  15   2.839   0.870   2.943
  132    HG3  LYS  15          1HG       LYS  15   1.964   2.402   2.840
  133    HD2  LYS  15          2HD       LYS  15  -0.124   1.254   3.377
  134    HD3  LYS  15          1HD       LYS  15   0.730  -0.277   3.463
  135    HE2  LYS  15          2HE       LYS  15   2.077   0.594   5.328
  136    HE3  LYS  15          1HE       LYS  15   1.210   2.122   5.227
  137    HZ1  LYS  15          1HZ       LYS  15  -0.018  -0.509   5.862
  138    HZ2  LYS  15          2HZ       LYS  15  -0.845   0.958   5.835
  139    HZ3  LYS  15          3HZ       LYS  15   0.334   0.676   6.993
  140    H    CYS  16           HN       CYS  16   4.712   2.656   0.747
  141    HA   CYS  16           HA       CYS  16   6.131   0.207   0.006
  142    HB2  CYS  16          2HB       CYS  16   7.233   3.023   0.234
  143    HB3  CYS  16          1HB       CYS  16   8.064   1.613  -0.411
  144    H    ARG  17           HN       ARG  17   7.449  -0.775   1.417
  145    HA   ARG  17           HA       ARG  17   8.440  -1.395   3.333
  146    HB2  ARG  17          2HB       ARG  17   8.281   1.542   4.038
  147    HB3  ARG  17          1HB       ARG  17   9.140   0.344   4.995
  148    HG2  ARG  17          2HG       ARG  17  10.745  -0.008   3.299
  149    HG3  ARG  17          1HG       ARG  17   9.760   0.833   2.099
  150    HD2  ARG  17          2HD       ARG  17  10.994   2.109   4.530
  151    HD3  ARG  17          1HD       ARG  17  11.650   2.194   2.890
  152    HE   ARG  17           HE       ARG  17   9.009   3.009   2.799
  153   HH11  ARG  17          1HH1      ARG  17  12.024   4.216   4.235
  154   HH12  ARG  17          2HH1      ARG  17  11.585   5.841   4.061
  155   HH21  ARG  17          1HH2      ARG  17   8.438   5.264   2.581
  156   HH22  ARG  17          2HH2      ARG  17   9.513   6.446   3.125
  157    HN1  NH2  18          1H        ARG  17   6.652   1.061   5.048
  158    HN2  NH2  18          2H        ARG  17   5.557  -0.032   5.824