*HEADER    TOXIN                                   20-SEP-18   6MJD              
*TITLE     NMR SOLUTION STRUCTURE OF GIIIC                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ARG-ASP-CYS-CYS-THR-HYP-HYP-LYS-LYS-CYS-LYS-ASP-ARG-ARG-   
*COMPND   3 CYS-LYS-HYP-LEU-LYS-CYS-CYS-ALA-NH2;                                 
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS;                               
*SOURCE   4 ORGANISM_TAXID: 6491                                                 
*KEYWDS    CONOTOXIN, SODIUM CHANNEL BLOCKER, TOXIN                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.J.HARVEY,T.DUREK,D.J.CRAIK                                          
*REVDAT   1   28-NOV-18 6MJD    0                                                
# Restraints file 1: giiicpdb.restraints
!distance restraints
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.560    0.760    0.760  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.370    0.570    0.570  
assign (resid  18 and name   HA)   (resid  19 and name   HN)   2.330    0.530    0.530  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.370    0.570    0.570  
assign (resid  19 and name   HA)   (resid  21 and name   HN)   3.005    1.205    1.205  
assign (resid  10 and name   HA)   (resid  12 and name   HN)   3.200    1.400    1.400  
assign (resid   5 and name   HN)   (resid   5 and name   HB)   2.530    0.730    0.730  
assign (resid  13 and name   HA)   (resid  16 and name   HN)   3.305    1.505    1.505  
assign (resid  16 and name   HN)   (resid  17 and name  HD2)   2.780    0.980    0.980  
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   3.350    1.550    1.550  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   3.350    1.550    1.550  
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.870    1.070    1.070  
assign (resid  19 and name  HB2)   (resid  20 and name   HN)   3.145    1.345    1.345  
assign (resid  19 and name  HB1)   (resid  20 and name   HN)   3.145    1.345    1.345  
assign (resid  11 and name   HN)   (resid  11 and name  HB1)   2.870    1.070    1.070  
assign (resid   8 and name   HN)   (resid   8 and name  HG2)   2.840    1.040    1.040  
assign (resid   8 and name   HN)   (resid   8 and name  HG1)   2.555    0.755    0.755  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.850    1.050    1.050  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.850    1.050    1.050  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.700    0.900    0.900  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.700    0.900    0.900  
assign (resid  13 and name   HN)   (resid  13 and name  HG2)   3.090    1.290    1.290  
assign (resid  13 and name   HN)   (resid  13 and name  HG1)   3.090    1.290    1.290  
assign (resid  14 and name   HN)   (resid  14 and name  HG2)   2.890    1.090    1.090  
assign (resid  14 and name   HN)   (resid  14 and name  HG1)   2.890    1.090    1.090  
assign (resid  22 and name   HN)   (resid  22 and name  HB#)   2.510    0.710    0.710  
assign (resid  14 and name  HB2)   (resid  14 and name   HE)   3.650    1.850    1.850  
assign (resid  14 and name  HB1)   (resid  14 and name   HE)   3.650    1.850    1.850  
assign (resid  18 and name  HB2)   (resid  21 and name   HN)   3.185    1.385    1.385  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.550    0.750    0.750  
assign (resid  20 and name  HB1)   (resid  21 and name   HN)   3.565    1.765    1.765  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.550    0.750    0.750  
assign (resid   5 and name   HA)   (resid   6 and name  HD2)   2.800    0.800    0.800  
assign (resid   5 and name   HA)   (resid   6 and name  HD1)   2.570    0.770    0.770  
assign (resid   2 and name   HA)   (resid   4 and name   HN)   3.510    1.710    1.710  
assign (resid  12 and name   HA)   (resid  14 and name   HN)   3.380    1.580    1.580  
assign (resid  13 and name   HN)   (resid  13 and name  HD2)   3.650    1.850    1.850  
assign (resid  13 and name   HN)   (resid  13 and name  HD1)   3.650    1.850    1.850  
assign (resid  14 and name   HN)   (resid  14 and name  HD2)   3.650    1.850    1.850  
assign (resid  14 and name   HN)   (resid  14 and name  HD1)   3.650    1.850    1.850  
assign (resid   1 and name  HB2)   (resid   1 and name   HE)   3.650    1.850    1.850  
assign (resid   1 and name  HB1)   (resid   1 and name   HE)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid   9 and name  HD2)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid   9 and name  HD1)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid   5 and name HG2#)   3.000    1.200    1.200  
assign (resid  18 and name   HN)   (resid  18 and name   HG)   2.545    0.745    0.745  
assign (resid  16 and name   HN)   (resid  18 and name   HG)   3.135    1.335    1.335  
assign (resid  19 and name   HN)   (resid  19 and name  HD2)   3.650    1.850    1.850  
assign (resid  19 and name   HN)   (resid  19 and name  HD1)   3.650    1.850    1.850  
assign (resid   8 and name  HG2)   (resid   9 and name   HN)   3.435    1.635    1.635  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   3.480    1.680    1.680  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.480    1.680    1.680  
assign (resid  20 and name  HB2)   (resid  21 and name   HN)   3.565    1.765    1.765  
assign (resid  16 and name   HN)   (resid  17 and name  HD1)   2.870    1.070    1.070  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.580    0.780    0.780  
assign (resid  14 and name   HN)   (resid  14 and name   HE)   3.520    1.720    1.720  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.685    0.885    0.885  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   2.760    0.960    0.960  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   2.685    0.885    0.885  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   3.085    1.285    1.285  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   3.140    1.340    1.340  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   2.820    1.020    1.020  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.855    1.055    1.055  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   3.540    1.740    1.740  
assign (resid  19 and name   HN)   (resid  21 and name   HN)   3.530    1.730    1.730  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   3.585    1.785    1.785  
assign (resid   8 and name  HG1)   (resid  10 and name   HN)   3.650    1.850    1.850  
assign (resid  18 and name  HB1)   (resid  21 and name   HN)   3.185    1.385    1.385  
assign (resid  10 and name   HA)   (resid  15 and name  HB2)   2.845    1.045    1.045  
assign (resid  10 and name   HA)   (resid  15 and name  HB1)   2.845    1.045    1.045  
assign (resid  16 and name   HA)   (resid  21 and name  HB1)   3.045    1.245    1.245  
assign (resid   6 and name  HB2)   (resid   7 and name   HA)   2.885    1.085    1.085  
assign (resid   5 and name   HA)   (resid   5 and name HG2#)   2.630    0.830    0.830  
assign (resid  15 and name   HA)   (resid  18 and name HD1#)   2.760    0.960    0.960  
assign (resid  18 and name   HA)   (resid  18 and name HD2#)   2.530    0.730    0.730  
assign (resid   8 and name   HA)   (resid   8 and name  HG1)   2.735    0.935    0.935  
assign (resid   5 and name HG2#)   (resid   6 and name  HD2)   2.905    1.105    1.105  
assign (resid  14 and name   HA)   (resid  14 and name  HG2)   2.920    1.120    1.120  
assign (resid  14 and name   HA)   (resid  14 and name  HG1)   2.920    1.120    1.120  
assign (resid  16 and name   HA)   (resid  21 and name  HB2)   3.045    1.245    1.245  
assign (resid  17 and name  HD2)   (resid  18 and name   HG)   2.870    1.070    1.070  
assign (resid   5 and name HG2#)   (resid   6 and name  HD1)   2.905    1.105    1.105  
assign (resid   8 and name   HA)   (resid   8 and name  HG2)   2.960    1.160    1.160  
assign (resid   3 and name   HN)   (resid  18 and name HD1#)   3.545    1.745    1.745  
assign (resid  15 and name   HA)   (resid  18 and name   HG)   2.920    1.120    1.120  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   3.465    1.665    1.665  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.935    1.135    1.135  
assign (resid  18 and name  HB2)   (resid  18 and name HD1#)   2.705    0.905    0.905  
assign (resid  18 and name  HB2)   (resid  18 and name HD2#)   2.940    1.140    1.140  
assign (resid  18 and name  HB1)   (resid  18 and name HD2#)   2.940    1.140    1.140  
assign (resid  18 and name  HB1)   (resid  18 and name HD1#)   2.705    0.905    0.905  
assign (resid   3 and name  HB1)   (resid  18 and name HD1#)   2.775    0.975    0.975  
assign (resid   3 and name  HB2)   (resid  18 and name HD1#)   2.775    0.975    0.975  
assign (resid  18 and name   HA)   (resid  18 and name HD1#)   3.365    1.565    1.565  
assign (resid  18 and name HD2#)   (resid  19 and name   HN)   3.095    1.295    1.295  
assign (resid  18 and name   HN)   (resid  18 and name HD1#)   3.110    1.310    1.310  
assign (resid  18 and name   HN)   (resid  18 and name HD2#)   3.170    1.370    1.370  
assign (resid   4 and name   HA)   (resid   8 and name  HG2)   3.025    1.225    1.225  
assign (resid  22 and name  HB#)   (resid  23 and name     )   3.480    1.680    1.680  
assign (resid  22 and name  HB#)   (resid  23 and name     )   3.580    1.780    1.780  
assign (resid   7 and name   HA)   (resid   8 and name  HG2)   3.200    1.400    1.400  
assign (resid   3 and name   HN)   (resid   5 and name   HN)   3.625    1.825    1.825  
assign (resid   4 and name   HN)   (resid  18 and name HD1#)   3.600    1.800    1.800  
assign (resid   4 and name   HA)   (resid   8 and name  HD2)   3.160    1.360    1.360  
assign (resid   4 and name   HA)   (resid   8 and name  HD1)   3.160    1.360    1.360  
assign (resid  18 and name HD1#)   (resid  20 and name   HN)   3.650    1.850    1.850  
assign (resid  18 and name HD2#)   (resid  20 and name   HN)   3.650    1.850    1.850  
assign (resid  18 and name HD1#)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  18 and name HD1#)   (resid  19 and name   HN)   3.650    1.850    1.850  
assign (resid   7 and name   HA)   (resid   8 and name   HA)   3.335    1.535    1.535  
assign (resid   7 and name   HA)   (resid   8 and name  HG1)   3.040    1.240    1.240  
assign (resid   6 and name  HB1)   (resid   7 and name   HA)   2.885    1.085    1.085  
assign (resid   4 and name   HA)   (resid   8 and name  HB1)   3.505    1.705    1.705  
assign (resid   4 and name   HA)   (resid   8 and name  HB2)   3.505    1.705    1.705  
assign (resid  17 and name  HD1)   (resid  18 and name HD2#)   3.650    1.850    1.850  
assign (resid   1 and name   HA)   (resid   1 and name  HG#)   2.715    0.915    0.915  
assign (resid   1 and name  HB#)   (resid   1 and name  HD#)   2.500    0.700    0.700  
assign (resid   1 and name  HB#)   (resid   1 and name   HE)   3.265    1.465    1.465  
assign (resid   1 and name  HB#)   (resid   3 and name   HN)   3.570    1.770    1.770  
assign (resid   1 and name  HG#)   (resid   3 and name   HN)   3.570    1.770    1.770  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.745    0.945    0.945  
assign (resid   2 and name  HB#)   (resid   5 and name   HN)   3.135    1.335    1.335  
assign (resid   2 and name  HB#)   (resid   5 and name   HB)   3.045    1.245    1.245  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.530    0.730    0.730  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   3.085    1.285    1.285  
assign (resid   3 and name  HB#)   (resid   5 and name   HN)   3.570    1.770    1.770  
assign (resid   3 and name  HB#)   (resid  18 and name  HB#)   3.490    1.690    1.690  
assign (resid   3 and name  HB#)   (resid  18 and name HD1#)   2.510    0.710    0.710  
assign (resid   3 and name  HB#)   (resid  18 and name HD2#)   3.105    1.305    1.305  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.520    0.720    0.720  
assign (resid   4 and name   HA)   (resid   8 and name  HD#)   2.850    1.050    1.050  
assign (resid   5 and name HG2#)   (resid   6 and name  HD#)   2.565    0.765    0.765  
assign (resid   6 and name   HA)   (resid   8 and name  HD#)   3.500    1.500    1.500  
assign (resid   6 and name  HB#)   (resid   7 and name   HA)   2.630    0.830    0.830  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   2.875    1.075    1.075  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.570    0.770    0.770  
assign (resid   8 and name  HB#)   (resid   8 and name  HE#)   3.270    1.470    1.470  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   3.005    1.205    1.205  
assign (resid   8 and name  HB#)   (resid  10 and name   HN)   3.365    1.565    1.565  
assign (resid   9 and name   HN)   (resid   9 and name  HB#)   2.555    0.755    0.755  
assign (resid   9 and name   HN)   (resid   9 and name  HG#)   2.955    1.155    1.155  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.720    0.920    0.920  
assign (resid  10 and name   HN)   (resid  11 and name  HB#)   3.500    1.700    1.700  
assign (resid  10 and name   HA)   (resid  15 and name  HB#)   2.500    0.700    0.700  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   3.140    1.340    1.340  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.585    0.785    0.785  
assign (resid  11 and name   HN)   (resid  11 and name  HG#)   2.980    1.180    1.180  
assign (resid  11 and name  HG#)   (resid  12 and name   HN)   3.445    1.645    1.645  
assign (resid  12 and name   HA)   (resid  13 and name  HB#)   3.570    1.770    1.770  
assign (resid  12 and name  HB#)   (resid  13 and name   HN)   2.985    1.185    1.185  
assign (resid  12 and name  HB#)   (resid  14 and name   HN)   2.930    1.130    1.130  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.475    0.675    0.675  
assign (resid  13 and name   HN)   (resid  13 and name  HG#)   2.725    0.925    0.925  
assign (resid  13 and name   HA)   (resid  13 and name  HG#)   2.740    0.940    0.940  
assign (resid  13 and name  HB#)   (resid  13 and name  HD#)   2.560    0.760    0.760  
assign (resid  13 and name  HB#)   (resid  16 and name   HN)   3.115    1.315    1.315  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.410    0.610    0.610  
assign (resid  14 and name   HN)   (resid  14 and name  HG#)   2.610    0.810    0.810  
assign (resid  14 and name   HN)   (resid  14 and name  HD#)   3.300    1.500    1.500  
assign (resid  14 and name   HA)   (resid  14 and name  HG#)   2.630    0.830    0.830  
assign (resid  14 and name  HB#)   (resid  14 and name   HE)   3.325    1.525    1.525  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.675    0.875    0.875  
assign (resid  15 and name  HB#)   (resid  18 and name HD1#)   3.250    1.450    1.450  
assign (resid  15 and name  HB#)   (resid  18 and name HD2#)   3.570    1.770    1.770  
assign (resid  16 and name   HA)   (resid  21 and name  HB#)   2.780    0.980    0.980  
assign (resid  17 and name   HG)   (resid  18 and name HD1#)   3.535    1.735    1.735  
assign (resid  17 and name   HG)   (resid  18 and name HD2#)   3.385    1.585    1.585  
assign (resid  18 and name   HN)   (resid  18 and name  HB#)   2.670    0.870    0.870  
assign (resid  18 and name  HB#)   (resid  19 and name   HN)   2.625    0.825    0.825  
assign (resid  18 and name  HB#)   (resid  20 and name   HN)   2.815    1.015    1.015  
assign (resid  18 and name  HB#)   (resid  21 and name   HN)   2.820    1.020    1.020  
assign (resid  19 and name   HN)   (resid  19 and name  HG#)   3.155    1.355    1.355  
assign (resid  19 and name   HN)   (resid  20 and name  HB#)   3.430    1.630    1.630  
assign (resid  19 and name   HA)   (resid  19 and name  HG#)   2.725    0.925    0.925  
assign (resid  20 and name   HN)   (resid  20 and name  HB#)   2.450    0.650    0.650  
assign (resid  20 and name  HB#)   (resid  21 and name   HN)   3.140    1.340    1.340  
assign (resid  21 and name   HN)   (resid  21 and name  HB#)   2.475    0.675    0.675  
assign (resid  21 and name  HB#)   (resid  22 and name   HN)   3.100    1.300    1.300  

!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   40.0 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  -80.0   40.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  -30.0   30.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -90.0   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  -80.0   40.0 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 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  135.0   40.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0 -80.0    40.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  140.0   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 -100.0   80.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -100.0   80.0 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0  -90.0   50.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -75.0   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  130.0   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  -60.0   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  -30.0   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  -60.0   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  -30.0   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 -100.0   40.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0   10.0   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  -80.0   60.0 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0  -80.0   60.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  -30.0   30.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0 -110.0   70.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  -30.0   30.0 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0 -100.0   80.0 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0 -100.0   80.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name SG   )    1.0 -120.0   90.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name CB   ) (resid 10    and name SG   )    1.0 -120.0   90.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name CB   ) (resid 12    and name CG   )    1.0 -120.0   90.0 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name CB   ) (resid 18    and name CG   )    1.0  -60.0   30.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name CB   ) (resid 21    and name SG   )    1.0 -120.0   90.0 2

!hbond restraints
assign (resid 15 and name HN)(resid 12 and name O) 0 0 2
assign (resid 15 and name N)(resid 12 and name O) 0 0 3
assign (resid 16 and name HN)(resid 13 and name O) 0 0 2
assign (resid 16 and name N)(resid 13 and name O) 0 0 3
assign (resid 21 and name HN)(resid 18 and name O) 0 0 2
assign (resid 21 and name N)(resid 18 and name O) 0 0 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1          1HT       ARG   1   0.067   6.291  -3.542
    2    H2   ARG   1          2HT       ARG   1   0.702   7.814  -3.864
    3    H3   ARG   1          3HT       ARG   1  -0.922   7.652  -3.534
    4    HA   ARG   1           HA       ARG   1   1.320   7.055  -1.716
    5    HB2  ARG   1          2HB       ARG   1   0.501   8.928  -0.368
    6    HB3  ARG   1          1HB       ARG   1   1.151   9.446  -1.927
    7    HG2  ARG   1          2HG       ARG   1  -1.158   9.680  -2.741
    8    HG3  ARG   1          1HG       ARG   1  -1.757   9.169  -1.167
    9    HD2  ARG   1          2HD       ARG   1  -1.854  11.577  -1.327
   10    HD3  ARG   1          1HD       ARG   1  -0.634  11.103  -0.147
   11    HE   ARG   1           HE       ARG   1   0.381  11.577  -2.801
   12   HH11  ARG   1          1HH1      ARG   1  -0.319  13.055   0.363
   13   HH12  ARG   1          2HH1      ARG   1   0.735  14.370   0.088
   14   HH21  ARG   1          1HH2      ARG   1   1.765  13.372  -3.123
   15   HH22  ARG   1          2HH2      ARG   1   1.939  14.565  -1.908
   16    H    ASP   2           HN       ASP   2  -2.269   7.167  -2.011
   17    HA   ASP   2           HA       ASP   2  -2.412   5.978   0.601
   18    HB2  ASP   2          2HB       ASP   2  -4.906   6.122   0.279
   19    HB3  ASP   2          1HB       ASP   2  -4.082   7.669   0.219
   20    H    CYS   3           HN       CYS   3  -2.048   4.005   0.758
   21    HA   CYS   3           HA       CYS   3  -2.963   2.161  -1.362
   22    HB2  CYS   3          2HB       CYS   3  -0.526   1.815   0.380
   23    HB3  CYS   3          1HB       CYS   3  -1.007   0.835  -1.010
   24    H    CYS   4           HN       CYS   4  -2.949   2.845   2.015
   25    HA   CYS   4           HA       CYS   4  -3.546   0.098   2.834
   26    HB2  CYS   4          2HB       CYS   4  -3.302   2.552   4.572
   27    HB3  CYS   4          1HB       CYS   4  -3.116   0.868   5.038
   28    H    THR   5           HN       THR   5  -5.331   2.721   1.742
   29    HA   THR   5           HA       THR   5  -7.463   2.747   3.574
   30    HB   THR   5           HB       THR   5  -7.661   3.266   0.592
   31    HG1  THR   5          1HG       THR   5  -6.272   4.553   2.561
   32   HG21  THR   5          1HG2      THR   5  -9.163   4.386   2.954
   33   HG22  THR   5          2HG2      THR   5  -9.741   3.110   1.907
   34   HG23  THR   5          3HG2      THR   5  -9.496   4.743   1.248
   35    HA   HYP   6           HA       HYP   6  -8.893  -1.373   2.432
   36    HB2  HYP   6          1HB       HYP   6  -9.681  -2.053   4.453
   37    HB3  HYP   6          2HB       HYP   6 -11.121  -1.038   4.285
   38    HG   HYP   6           HG       HYP   6  -9.924   0.032   6.081
   39   HD22  HYP   6          1HD1      HYP   6  -8.707   1.907   4.759
   40   HD23  HYP   6          2HD1      HYP   6 -10.392   1.612   4.245
   41    HD1  HYP   6          2HD       HYP   6  -7.631   0.186   4.708
   42    HA   HYP   7           HA       HYP   7  -9.812  -3.149   1.557
   43    HB2  HYP   7          1HB       HYP   7 -10.741  -4.475  -0.063
   44    HB3  HYP   7          2HB       HYP   7 -10.207  -3.363  -1.325
   45    HG   HYP   7           HG       HYP   7 -12.534  -3.087  -1.446
   46   HD22  HYP   7          1HD1      HYP   7 -12.934  -1.067   0.273
   47   HD23  HYP   7          2HD1      HYP   7 -11.684  -0.863  -0.977
   48    HD1  HYP   7          2HD       HYP   7 -13.687  -2.908   0.603
   49    H    LYS   8           HN       LYS   8  -7.693  -3.323   1.213
   50    HA   LYS   8           HA       LYS   8  -6.331  -0.966   0.716
   51    HB2  LYS   8          2HB       LYS   8  -5.161  -3.732   0.717
   52    HB3  LYS   8          1HB       LYS   8  -4.305  -2.223   1.002
   53    HG2  LYS   8          2HG       LYS   8  -5.625  -1.861   3.039
   54    HG3  LYS   8          1HG       LYS   8  -6.471  -3.373   2.733
   55    HD2  LYS   8          2HD       LYS   8  -4.175  -4.472   2.710
   56    HD3  LYS   8          1HD       LYS   8  -3.585  -2.970   3.374
   57    HE2  LYS   8          2HE       LYS   8  -4.874  -3.139   5.323
   58    HE3  LYS   8          1HE       LYS   8  -5.835  -4.477   4.686
   59    HZ1  LYS   8          1HZ       LYS   8  -3.919  -5.892   4.826
   60    HZ2  LYS   8          2HZ       LYS   8  -4.094  -5.145   6.332
   61    HZ3  LYS   8          3HZ       LYS   8  -2.923  -4.611   5.236
   62    H    LYS   9           HN       LYS   9  -5.577  -0.076  -0.899
   63    HA   LYS   9           HA       LYS   9  -5.813  -1.341  -3.495
   64    HB2  LYS   9          2HB       LYS   9  -5.623   1.061  -4.314
   65    HB3  LYS   9          1HB       LYS   9  -7.080   0.631  -3.440
   66    HG2  LYS   9          2HG       LYS   9  -5.942   1.633  -1.380
   67    HG3  LYS   9          1HG       LYS   9  -4.771   2.312  -2.515
   68    HD2  LYS   9          2HD       LYS   9  -7.757   2.730  -2.671
   69    HD3  LYS   9          1HD       LYS   9  -6.626   3.866  -1.944
   70    HE2  LYS   9          2HE       LYS   9  -6.468   2.953  -4.819
   71    HE3  LYS   9          1HE       LYS   9  -7.322   4.400  -4.291
   72    HZ1  LYS   9          1HZ       LYS   9  -4.421   3.888  -3.902
   73    HZ2  LYS   9          2HZ       LYS   9  -5.273   5.219  -3.363
   74    HZ3  LYS   9          3HZ       LYS   9  -5.108   4.948  -5.034
   75    H    CYS  10           HN       CYS  10  -3.752  -2.114  -1.900
   76    HA   CYS  10           HA       CYS  10  -1.361  -0.836  -2.863
   77    HB2  CYS  10          2HB       CYS  10  -1.279  -1.759  -0.613
   78    HB3  CYS  10          1HB       CYS  10  -1.755  -3.344  -1.210
   79    H    LYS  11           HN       LYS  11  -2.112  -1.119  -5.039
   80    HA   LYS  11           HA       LYS  11  -1.741  -3.806  -6.081
   81    HB2  LYS  11          2HB       LYS  11  -3.718  -2.496  -6.793
   82    HB3  LYS  11          1HB       LYS  11  -2.650  -1.287  -7.483
   83    HG2  LYS  11          2HG       LYS  11  -3.574  -2.758  -9.193
   84    HG3  LYS  11          1HG       LYS  11  -1.819  -2.913  -9.091
   85    HD2  LYS  11          2HD       LYS  11  -2.060  -4.955  -7.784
   86    HD3  LYS  11          1HD       LYS  11  -3.817  -4.784  -7.816
   87    HE2  LYS  11          2HE       LYS  11  -3.808  -5.033 -10.223
   88    HE3  LYS  11          1HE       LYS  11  -2.047  -5.118 -10.227
   89    HZ1  LYS  11          1HZ       LYS  11  -2.155  -7.165  -8.991
   90    HZ2  LYS  11          2HZ       LYS  11  -3.117  -7.284 -10.366
   91    HZ3  LYS  11          3HZ       LYS  11  -3.835  -7.042  -8.864
   92    H    ASP  12           HN       ASP  12  -0.166  -0.774  -5.817
   93    HA   ASP  12           HA       ASP  12   1.698  -1.478  -7.937
   94    HB2  ASP  12          2HB       ASP  12   0.726   0.821  -7.935
   95    HB3  ASP  12          1HB       ASP  12   1.524   1.119  -6.394
   96    H    ARG  13           HN       ARG  13   3.882  -1.647  -7.579
   97    HA   ARG  13           HA       ARG  13   4.720  -2.873  -5.225
   98    HB2  ARG  13          2HB       ARG  13   6.277  -1.696  -7.507
   99    HB3  ARG  13          1HB       ARG  13   7.027  -2.598  -6.193
  100    HG2  ARG  13          2HG       ARG  13   5.669  -4.544  -6.780
  101    HG3  ARG  13          1HG       ARG  13   4.949  -3.639  -8.108
  102    HD2  ARG  13          2HD       ARG  13   7.040  -3.496  -9.248
  103    HD3  ARG  13          1HD       ARG  13   7.918  -4.117  -7.853
  104    HE   ARG  13           HE       ARG  13   5.994  -5.993  -8.640
  105   HH11  ARG  13          1HH1      ARG  13   9.049  -4.676  -9.894
  106   HH12  ARG  13          2HH1      ARG  13   9.482  -6.136 -10.662
  107   HH21  ARG  13          1HH2      ARG  13   6.677  -7.976  -9.662
  108   HH22  ARG  13          2HH2      ARG  13   8.137  -8.005 -10.549
  109    H    ARG  14           HN       ARG  14   4.664   0.501  -6.053
  110    HA   ARG  14           HA       ARG  14   6.593   1.302  -4.135
  111    HB2  ARG  14          2HB       ARG  14   4.442   2.793  -5.614
  112    HB3  ARG  14          1HB       ARG  14   5.523   3.586  -4.471
  113    HG2  ARG  14          2HG       ARG  14   7.419   3.150  -5.799
  114    HG3  ARG  14          1HG       ARG  14   6.553   1.970  -6.779
  115    HD2  ARG  14          2HD       ARG  14   5.844   4.887  -6.681
  116    HD3  ARG  14          1HD       ARG  14   6.949   4.197  -7.875
  117    HE   ARG  14           HE       ARG  14   4.537   2.747  -7.787
  118   HH11  ARG  14          1HH1      ARG  14   5.710   5.913  -8.865
  119   HH12  ARG  14          2HH1      ARG  14   4.688   6.006 -10.219
  120   HH21  ARG  14          1HH2      ARG  14   3.153   2.850  -9.655
  121   HH22  ARG  14          2HH2      ARG  14   3.175   4.198 -10.697
  122    H    CYS  15           HN       CYS  15   3.476   0.143  -3.812
  123    HA   CYS  15           HA       CYS  15   3.010   1.419  -1.227
  124    HB2  CYS  15          2HB       CYS  15   1.353  -0.551  -2.803
  125    HB3  CYS  15          1HB       CYS  15   0.878   0.205  -1.290
  126    H    LYS  16           HN       LYS  16   4.825  -1.058  -2.324
  127    HA   LYS  16           HA       LYS  16   3.938  -3.143  -0.562
  128    HB2  LYS  16          2HB       LYS  16   4.950  -3.608  -2.807
  129    HB3  LYS  16          1HB       LYS  16   6.487  -3.058  -2.176
  130    HG2  LYS  16          2HG       LYS  16   6.398  -5.483  -2.185
  131    HG3  LYS  16          1HG       LYS  16   6.481  -4.875  -0.534
  132    HD2  LYS  16          2HD       LYS  16   4.877  -6.717  -0.721
  133    HD3  LYS  16          1HD       LYS  16   4.059  -5.224  -0.272
  134    HE2  LYS  16          2HE       LYS  16   3.361  -4.910  -2.598
  135    HE3  LYS  16          1HE       LYS  16   4.218  -6.379  -3.059
  136    HZ1  LYS  16          1HZ       LYS  16   2.677  -7.632  -1.613
  137    HZ2  LYS  16          2HZ       LYS  16   1.892  -6.799  -2.829
  138    HZ3  LYS  16          3HZ       LYS  16   1.841  -6.200  -1.261
  139    HA   HYP  17           HA       HYP  17   7.994  -1.663   1.934
  140    HB2  HYP  17          1HB       HYP  17   8.943   0.206   0.909
  141    HB3  HYP  17          2HB       HYP  17   8.026   1.067   2.163
  142    HG   HYP  17           HG       HYP  17   6.157   1.324   0.722
  143   HD22  HYP  17          1HD1      HYP  17   7.725  -0.563  -1.070
  144   HD23  HYP  17          2HD1      HYP  17   6.017  -0.078  -1.261
  145    HD1  HYP  17          2HD       HYP  17   6.947   1.934  -1.237
  146    H    LEU  18           HN       LEU  18   4.781  -0.796   1.765
  147    HA   LEU  18           HA       LEU  18   4.552   0.327   4.436
  148    HB2  LEU  18          2HB       LEU  18   2.430  -0.283   2.383
  149    HB3  LEU  18          1HB       LEU  18   2.263   0.731   3.799
  150    HG   LEU  18           HG       LEU  18   3.962   1.380   1.369
  151   HD11  LEU  18          1HD1      LEU  18   1.342   2.516   2.326
  152   HD12  LEU  18          2HD1      LEU  18   1.591   1.508   0.898
  153   HD13  LEU  18          3HD1      LEU  18   2.300   3.121   0.974
  154   HD21  LEU  18          1HD2      LEU  18   3.321   2.994   3.830
  155   HD22  LEU  18          2HD2      LEU  18   4.182   3.578   2.410
  156   HD23  LEU  18          3HD2      LEU  18   4.903   2.317   3.421
  157    H    LYS  19           HN       LYS  19   4.165  -1.049   6.106
  158    HA   LYS  19           HA       LYS  19   3.843  -3.832   5.623
  159    HB2  LYS  19          2HB       LYS  19   5.131  -2.877   7.560
  160    HB3  LYS  19          1HB       LYS  19   3.612  -2.371   8.272
  161    HG2  LYS  19          2HG       LYS  19   4.419  -4.415   9.324
  162    HG3  LYS  19          1HG       LYS  19   2.913  -4.719   8.459
  163    HD2  LYS  19          2HD       LYS  19   4.183  -5.667   6.578
  164    HD3  LYS  19          1HD       LYS  19   5.690  -5.345   7.430
  165    HE2  LYS  19          2HE       LYS  19   3.492  -7.168   8.410
  166    HE3  LYS  19          1HE       LYS  19   4.948  -7.704   7.582
  167    HZ1  LYS  19          1HZ       LYS  19   5.177  -7.951   9.951
  168    HZ2  LYS  19          2HZ       LYS  19   4.854  -6.326  10.224
  169    HZ3  LYS  19          3HZ       LYS  19   6.259  -6.788   9.413
  170    H    CYS  20           HN       CYS  20   1.633  -1.372   5.602
  171    HA   CYS  20           HA       CYS  20  -0.636  -2.741   6.634
  172    HB2  CYS  20          2HB       CYS  20  -1.981  -1.081   5.423
  173    HB3  CYS  20          1HB       CYS  20  -0.650  -0.272   6.246
  174    H    CYS  21           HN       CYS  21   1.209  -2.800   3.734
  175    HA   CYS  21           HA       CYS  21  -0.717  -4.456   2.322
  176    HB2  CYS  21          2HB       CYS  21   0.292  -2.540   1.131
  177    HB3  CYS  21          1HB       CYS  21   1.892  -3.170   1.474
  178    H    ALA  22           HN       ALA  22  -0.443  -6.330   3.560
  179    HA   ALA  22           HA       ALA  22   2.131  -7.642   3.162
  180    HB1  ALA  22          2HB       ALA  22   0.709  -7.543   5.834
  181    HB2  ALA  22          3HB       ALA  22   2.198  -6.696   5.425
  182    HB3  ALA  22          1HB       ALA  22   2.177  -8.457   5.473
  183    HN1  NH2  23          2H        ALA  22  -0.941 -10.092   4.124
  184    HN2  NH2  23          1H        ALA  22  -0.347  -8.916   5.235
  Start of MODEL    2
    1    H1   ARG   1          1HT       ARG   1  -0.272   8.574  -4.290
    2    H2   ARG   1          2HT       ARG   1   0.553   7.938  -2.953
    3    H3   ARG   1          3HT       ARG   1  -0.822   8.854  -2.713
    4    HA   ARG   1           HA       ARG   1  -2.171   7.194  -3.763
    5    HB2  ARG   1          2HB       ARG   1  -0.505   6.297  -5.331
    6    HB3  ARG   1          1HB       ARG   1   0.446   5.697  -3.980
    7    HG2  ARG   1          2HG       ARG   1  -1.319   4.159  -3.376
    8    HG3  ARG   1          1HG       ARG   1  -2.323   4.784  -4.681
    9    HD2  ARG   1          2HD       ARG   1  -0.756   3.987  -6.321
   10    HD3  ARG   1          1HD       ARG   1   0.358   3.470  -5.055
   11    HE   ARG   1           HE       ARG   1  -1.376   1.913  -4.333
   12   HH11  ARG   1          1HH1      ARG   1  -1.383   3.027  -7.712
   13   HH12  ARG   1          2HH1      ARG   1  -2.225   1.686  -8.302
   14   HH21  ARG   1          1HH2      ARG   1  -2.564   0.024  -5.167
   15   HH22  ARG   1          2HH2      ARG   1  -2.939  -0.035  -6.817
   16    H    ASP   2           HN       ASP   2  -3.305   6.571  -2.071
   17    HA   ASP   2           HA       ASP   2  -1.966   5.784   0.375
   18    HB2  ASP   2          2HB       ASP   2  -3.991   7.220   0.501
   19    HB3  ASP   2          1HB       ASP   2  -4.907   5.944  -0.298
   20    H    CYS   3           HN       CYS   3  -1.615   3.765   0.868
   21    HA   CYS   3           HA       CYS   3  -2.989   1.684  -0.664
   22    HB2  CYS   3          2HB       CYS   3  -0.173   1.723   0.313
   23    HB3  CYS   3          1HB       CYS   3  -0.943   0.324  -0.439
   24    H    CYS   4           HN       CYS   4  -2.902   2.979   2.320
   25    HA   CYS   4           HA       CYS   4  -3.043   0.333   3.609
   26    HB2  CYS   4          2HB       CYS   4  -2.489   3.012   4.895
   27    HB3  CYS   4          1HB       CYS   4  -2.664   1.499   5.772
   28    H    THR   5           HN       THR   5  -4.967   3.145   2.909
   29    HA   THR   5           HA       THR   5  -6.877   2.485   4.898
   30    HB   THR   5           HB       THR   5  -7.153   4.320   2.500
   31    HG1  THR   5          1HG       THR   5  -5.673   5.366   3.603
   32   HG21  THR   5          1HG2      THR   5  -9.263   3.647   3.518
   33   HG22  THR   5          2HG2      THR   5  -8.945   5.354   3.887
   34   HG23  THR   5          3HG2      THR   5  -8.659   4.093   5.102
   35    HA   HYP   6           HA       HYP   6  -8.601  -0.595   2.175
   36    HB2  HYP   6          1HB       HYP   6  -9.440  -2.125   3.701
   37    HB3  HYP   6          2HB       HYP   6 -10.638  -0.957   4.281
   38    HG   HYP   6           HG       HYP   6  -9.008  -1.163   6.083
   39   HD22  HYP   6          1HD1      HYP   6  -7.883   1.119   5.684
   40   HD23  HYP   6          2HD1      HYP   6  -9.647   1.133   5.383
   41    HD1  HYP   6          2HD       HYP   6  -6.959  -0.276   4.730
   42    HA   HYP   7           HA       HYP   7  -9.917  -1.915   1.103
   43    HB2  HYP   7          1HB       HYP   7 -11.252  -2.729  -0.554
   44    HB3  HYP   7          2HB       HYP   7 -11.028  -1.292  -1.564
   45    HG   HYP   7           HG       HYP   7 -13.277  -1.083  -0.800
   46   HD22  HYP   7          1HD1      HYP   7 -12.863   0.573   1.239
   47   HD23  HYP   7          2HD1      HYP   7 -12.097   0.958  -0.319
   48    HD1  HYP   7          2HD       HYP   7 -13.231  -1.227   1.725
   49    H    LYS   8           HN       LYS   8  -7.868  -1.741   0.977
   50    HA   LYS   8           HA       LYS   8  -6.526   0.150  -0.737
   51    HB2  LYS   8          2HB       LYS   8  -4.484  -0.867   0.401
   52    HB3  LYS   8          1HB       LYS   8  -5.600   0.032   1.422
   53    HG2  LYS   8          2HG       LYS   8  -6.526  -1.876   2.287
   54    HG3  LYS   8          1HG       LYS   8  -5.718  -2.954   1.128
   55    HD2  LYS   8          2HD       LYS   8  -3.585  -2.214   2.272
   56    HD3  LYS   8          1HD       LYS   8  -4.594  -1.323   3.417
   57    HE2  LYS   8          2HE       LYS   8  -4.577  -4.297   2.941
   58    HE3  LYS   8          1HE       LYS   8  -4.011  -3.451   4.379
   59    HZ1  LYS   8          1HZ       LYS   8  -6.141  -4.342   4.821
   60    HZ2  LYS   8          2HZ       LYS   8  -6.794  -3.756   3.420
   61    HZ3  LYS   8          3HZ       LYS   8  -6.400  -2.678   4.662
   62    H    LYS   9           HN       LYS   9  -5.066  -0.438  -2.334
   63    HA   LYS   9           HA       LYS   9  -5.597  -3.099  -3.446
   64    HB2  LYS   9          2HB       LYS   9  -5.157  -0.486  -4.902
   65    HB3  LYS   9          1HB       LYS   9  -5.552  -2.038  -5.636
   66    HG2  LYS   9          2HG       LYS   9  -7.714  -2.055  -4.670
   67    HG3  LYS   9          1HG       LYS   9  -7.329  -0.692  -3.626
   68    HD2  LYS   9          2HD       LYS   9  -7.133   0.727  -5.643
   69    HD3  LYS   9          1HD       LYS   9  -7.637  -0.656  -6.623
   70    HE2  LYS   9          2HE       LYS   9  -9.546   0.792  -6.139
   71    HE3  LYS   9          1HE       LYS   9  -9.727  -0.787  -5.377
   72    HZ1  LYS   9          1HZ       LYS   9  -8.852   1.710  -4.008
   73    HZ2  LYS   9          2HZ       LYS   9  -9.021   0.232  -3.238
   74    HZ3  LYS   9          3HZ       LYS   9 -10.363   1.008  -3.868
   75    H    CYS  10           HN       CYS  10  -3.776  -4.202  -2.979
   76    HA   CYS  10           HA       CYS  10  -1.199  -2.959  -3.117
   77    HB2  CYS  10          2HB       CYS  10  -2.077  -5.775  -2.528
   78    HB3  CYS  10          1HB       CYS  10  -0.394  -5.339  -2.722
   79    H    LYS  11           HN       LYS  11  -0.886  -2.336  -5.151
   80    HA   LYS  11           HA       LYS  11  -0.185  -4.514  -6.923
   81    HB2  LYS  11          2HB       LYS  11  -2.402  -3.862  -7.670
   82    HB3  LYS  11          1HB       LYS  11  -1.888  -2.183  -7.798
   83    HG2  LYS  11          2HG       LYS  11  -0.415  -2.691  -9.582
   84    HG3  LYS  11          1HG       LYS  11  -0.656  -4.420  -9.372
   85    HD2  LYS  11          2HD       LYS  11  -3.008  -4.160 -10.004
   86    HD3  LYS  11          1HD       LYS  11  -2.751  -2.425 -10.216
   87    HE2  LYS  11          2HE       LYS  11  -2.685  -3.659 -12.345
   88    HE3  LYS  11          1HE       LYS  11  -1.172  -2.833 -11.987
   89    HZ1  LYS  11          1HZ       LYS  11  -0.216  -4.922 -11.288
   90    HZ2  LYS  11          2HZ       LYS  11  -0.860  -5.086 -12.847
   91    HZ3  LYS  11          3HZ       LYS  11  -1.677  -5.731 -11.528
   92    H    ASP  12           HN       ASP  12  -0.143  -0.975  -6.603
   93    HA   ASP  12           HA       ASP  12   2.166  -0.726  -8.236
   94    HB2  ASP  12          2HB       ASP  12   0.509   1.097  -7.959
   95    HB3  ASP  12          1HB       ASP  12   1.013   1.273  -6.285
   96    H    ARG  13           HN       ARG  13   4.224  -0.084  -7.627
   97    HA   ARG  13           HA       ARG  13   5.513  -1.530  -5.654
   98    HB2  ARG  13          2HB       ARG  13   6.431   1.092  -6.808
   99    HB3  ARG  13          1HB       ARG  13   7.430  -0.108  -6.013
  100    HG2  ARG  13          2HG       ARG  13   7.008  -1.683  -7.800
  101    HG3  ARG  13          1HG       ARG  13   5.952  -0.518  -8.602
  102    HD2  ARG  13          2HD       ARG  13   8.881  -0.188  -8.025
  103    HD3  ARG  13          1HD       ARG  13   8.168  -0.503  -9.610
  104    HE   ARG  13           HE       ARG  13   6.948   1.765  -8.862
  105   HH11  ARG  13          1HH1      ARG  13  10.344   0.851  -8.908
  106   HH12  ARG  13          2HH1      ARG  13  10.944   2.424  -9.131
  107   HH21  ARG  13          1HH2      ARG  13   7.708   3.918  -9.210
  108   HH22  ARG  13          2HH2      ARG  13   9.388   4.229  -9.320
  109    H    ARG  14           HN       ARG  14   4.073   1.686  -5.463
  110    HA   ARG  14           HA       ARG  14   5.410   2.491  -3.108
  111    HB2  ARG  14          2HB       ARG  14   2.768   3.465  -4.182
  112    HB3  ARG  14          1HB       ARG  14   3.719   4.249  -2.932
  113    HG2  ARG  14          2HG       ARG  14   4.483   3.862  -5.803
  114    HG3  ARG  14          1HG       ARG  14   4.051   5.376  -5.011
  115    HD2  ARG  14          2HD       ARG  14   6.022   5.185  -3.577
  116    HD3  ARG  14          1HD       ARG  14   6.435   3.655  -4.354
  117    HE   ARG  14           HE       ARG  14   6.138   5.923  -6.092
  118   HH11  ARG  14          1HH1      ARG  14   8.357   3.815  -4.320
  119   HH12  ARG  14          2HH1      ARG  14   9.737   4.315  -5.158
  120   HH21  ARG  14          1HH2      ARG  14   8.028   6.640  -7.226
  121   HH22  ARG  14          2HH2      ARG  14   9.555   5.994  -6.857
  122    H    CYS  15           HN       CYS  15   2.875   0.262  -3.522
  123    HA   CYS  15           HA       CYS  15   1.931   0.656  -0.806
  124    HB2  CYS  15          2HB       CYS  15   1.234  -1.606  -2.656
  125    HB3  CYS  15          1HB       CYS  15   0.381  -1.031  -1.222
  126    H    LYS  16           HN       LYS  16   4.455  -0.948  -2.358
  127    HA   LYS  16           HA       LYS  16   4.278  -3.397  -0.912
  128    HB2  LYS  16          2HB       LYS  16   6.372  -2.345  -2.794
  129    HB3  LYS  16          1HB       LYS  16   6.530  -3.894  -1.976
  130    HG2  LYS  16          2HG       LYS  16   4.446  -4.659  -3.011
  131    HG3  LYS  16          1HG       LYS  16   4.274  -3.102  -3.809
  132    HD2  LYS  16          2HD       LYS  16   6.239  -3.487  -5.133
  133    HD3  LYS  16          1HD       LYS  16   6.631  -4.935  -4.209
  134    HE2  LYS  16          2HE       LYS  16   5.613  -5.458  -6.406
  135    HE3  LYS  16          1HE       LYS  16   4.675  -6.066  -5.046
  136    HZ1  LYS  16          1HZ       LYS  16   3.155  -4.194  -5.305
  137    HZ2  LYS  16          2HZ       LYS  16   3.267  -5.047  -6.747
  138    HZ3  LYS  16          3HZ       LYS  16   4.064  -3.599  -6.598
  139    HA   HYP  17           HA       HYP  17   7.938  -1.567   1.722
  140    HB2  HYP  17          1HB       HYP  17   8.763   0.385   0.723
  141    HB3  HYP  17          2HB       HYP  17   7.887   1.124   2.078
  142    HG   HYP  17           HG       HYP  17   5.957   1.478   0.755
  143   HD22  HYP  17          1HD1      HYP  17   7.329  -0.232  -1.328
  144   HD23  HYP  17          2HD1      HYP  17   5.594   0.131  -1.185
  145    HD1  HYP  17          2HD       HYP  17   6.722   1.996  -1.306
  146    H    LEU  18           HN       LEU  18   4.683  -1.210   1.694
  147    HA   LEU  18           HA       LEU  18   4.487  -0.015   4.347
  148    HB2  LEU  18          2HB       LEU  18   2.341  -0.507   2.306
  149    HB3  LEU  18          1HB       LEU  18   2.182   0.404   3.791
  150    HG   LEU  18           HG       LEU  18   3.863   1.222   1.399
  151   HD11  LEU  18          1HD1      LEU  18   2.196   2.957   1.125
  152   HD12  LEU  18          2HD1      LEU  18   1.284   2.299   2.491
  153   HD13  LEU  18          3HD1      LEU  18   1.507   1.335   1.027
  154   HD21  LEU  18          1HD2      LEU  18   4.824   1.991   3.495
  155   HD22  LEU  18          2HD2      LEU  18   3.251   2.665   3.962
  156   HD23  LEU  18          3HD2      LEU  18   4.118   3.318   2.563
  157    H    LYS  19           HN       LYS  19   4.017  -1.305   5.998
  158    HA   LYS  19           HA       LYS  19   3.698  -4.096   5.646
  159    HB2  LYS  19          2HB       LYS  19   3.516  -2.380   8.099
  160    HB3  LYS  19          1HB       LYS  19   3.266  -4.118   8.142
  161    HG2  LYS  19          2HG       LYS  19   5.768  -2.730   7.212
  162    HG3  LYS  19          1HG       LYS  19   5.530  -3.505   8.782
  163    HD2  LYS  19          2HD       LYS  19   5.090  -5.656   7.568
  164    HD3  LYS  19          1HD       LYS  19   5.523  -4.837   6.070
  165    HE2  LYS  19          2HE       LYS  19   7.395  -6.102   6.957
  166    HE3  LYS  19          1HE       LYS  19   7.743  -4.375   6.933
  167    HZ1  LYS  19          1HZ       LYS  19   8.470  -5.387   8.997
  168    HZ2  LYS  19          2HZ       LYS  19   6.915  -5.960   9.294
  169    HZ3  LYS  19          3HZ       LYS  19   7.212  -4.309   9.316
  170    H    CYS  20           HN       CYS  20   1.413  -1.622   5.647
  171    HA   CYS  20           HA       CYS  20  -0.834  -3.106   6.555
  172    HB2  CYS  20          2HB       CYS  20  -2.143  -1.358   5.362
  173    HB3  CYS  20          1HB       CYS  20  -0.904  -0.662   6.405
  174    H    CYS  21           HN       CYS  21   1.108  -3.217   3.757
  175    HA   CYS  21           HA       CYS  21  -0.938  -4.423   2.096
  176    HB2  CYS  21          2HB       CYS  21   0.608  -2.668   1.214
  177    HB3  CYS  21          1HB       CYS  21   1.950  -3.750   1.525
  178    H    ALA  22           HN       ALA  22   0.857  -5.503   4.552
  179    HA   ALA  22           HA       ALA  22   1.699  -7.970   3.242
  180    HB1  ALA  22          2HB       ALA  22   3.373  -6.896   4.686
  181    HB2  ALA  22          3HB       ALA  22   2.897  -8.464   5.339
  182    HB3  ALA  22          1HB       ALA  22   2.260  -6.982   6.051
  183    HN1  NH2  23          2H        ALA  22  -0.780  -8.686   6.395
  184    HN2  NH2  23          1H        ALA  22   0.551  -7.603   6.551
  Start of MODEL    3
    1    H1   ARG   1          1HT       ARG   1   0.145  10.478   2.445
    2    H2   ARG   1          2HT       ARG   1   1.113   9.079   2.324
    3    H3   ARG   1          3HT       ARG   1   0.147   9.323   3.670
    4    HA   ARG   1           HA       ARG   1  -1.820   9.074   2.443
    5    HB2  ARG   1          2HB       ARG   1  -1.017  10.051   0.311
    6    HB3  ARG   1          1HB       ARG   1   0.006   8.637   0.077
    7    HG2  ARG   1          2HG       ARG   1  -1.957   7.210  -0.033
    8    HG3  ARG   1          1HG       ARG   1  -2.993   8.612   0.221
    9    HD2  ARG   1          2HD       ARG   1  -2.256   9.579  -1.859
   10    HD3  ARG   1          1HD       ARG   1  -1.103   8.262  -2.092
   11    HE   ARG   1           HE       ARG   1  -3.792   7.372  -1.760
   12   HH11  ARG   1          1HH1      ARG   1  -1.486   8.592  -4.123
   13   HH12  ARG   1          2HH1      ARG   1  -2.210   7.803  -5.454
   14   HH21  ARG   1          1HH2      ARG   1  -4.781   6.270  -3.575
   15   HH22  ARG   1          2HH2      ARG   1  -4.114   6.439  -5.125
   16    H    ASP   2           HN       ASP   2  -2.540   7.202   3.109
   17    HA   ASP   2           HA       ASP   2  -0.802   4.857   3.052
   18    HB2  ASP   2          2HB       ASP   2  -3.496   5.271   4.396
   19    HB3  ASP   2          1HB       ASP   2  -2.531   3.810   4.498
   20    H    CYS   3           HN       CYS   3  -1.156   3.362   1.577
   21    HA   CYS   3           HA       CYS   3  -3.287   3.794  -0.343
   22    HB2  CYS   3          2HB       CYS   3  -1.027   3.356  -1.162
   23    HB3  CYS   3          1HB       CYS   3  -1.016   1.811  -0.325
   24    H    CYS   4           HN       CYS   4  -2.701   1.855   2.391
   25    HA   CYS   4           HA       CYS   4  -4.281  -0.369   1.536
   26    HB2  CYS   4          2HB       CYS   4  -3.188   0.315   4.260
   27    HB3  CYS   4          1HB       CYS   4  -3.993  -1.199   3.850
   28    H    THR   5           HN       THR   5  -5.311   2.595   2.158
   29    HA   THR   5           HA       THR   5  -7.541   1.864   3.777
   30    HB   THR   5           HB       THR   5  -7.178   4.398   2.145
   31    HG1  THR   5          1HG       THR   5  -5.890   3.454   4.348
   32   HG21  THR   5          1HG2      THR   5  -8.812   3.723   4.588
   33   HG22  THR   5          2HG2      THR   5  -9.442   3.889   2.962
   34   HG23  THR   5          3HG2      THR   5  -8.773   5.310   3.797
   35    HA   HYP   6           HA       HYP   6  -9.294  -0.004   0.070
   36    HB2  HYP   6          1HB       HYP   6 -10.592  -1.585   1.096
   37    HB3  HYP   6          2HB       HYP   6 -11.758  -0.347   1.588
   38    HG   HYP   6           HG       HYP   6 -10.817  -1.040   3.694
   39   HD22  HYP   6          1HD1      HYP   6  -9.056   0.817   4.024
   40   HD23  HYP   6          2HD1      HYP   6 -10.596   1.385   3.314
   41    HD1  HYP   6          2HD       HYP   6  -8.294  -0.703   3.202
   42    HA   HYP   7           HA       HYP   7 -10.524  -0.456  -1.850
   43    HB2  HYP   7          1HB       HYP   7 -11.391   0.116  -3.893
   44    HB3  HYP   7          2HB       HYP   7 -10.204   1.414  -4.061
   45    HG   HYP   7           HG       HYP   7 -12.266   2.625  -3.870
   46   HD22  HYP   7          1HD1      HYP   7 -12.251   3.170  -1.299
   47   HD23  HYP   7          2HD1      HYP   7 -10.682   3.358  -2.129
   48    HD1  HYP   7          2HD       HYP   7 -13.037   1.232  -1.668
   49    H    LYS   8           HN       LYS   8  -8.588  -1.199  -1.954
   50    HA   LYS   8           HA       LYS   8  -6.335   0.677  -1.987
   51    HB2  LYS   8          2HB       LYS   8  -5.189  -1.109  -0.598
   52    HB3  LYS   8          1HB       LYS   8  -6.431  -0.157   0.204
   53    HG2  LYS   8          2HG       LYS   8  -7.978  -1.888   0.081
   54    HG3  LYS   8          1HG       LYS   8  -6.983  -2.843  -1.009
   55    HD2  LYS   8          2HD       LYS   8  -5.320  -3.074   0.843
   56    HD3  LYS   8          1HD       LYS   8  -6.381  -2.122   1.881
   57    HE2  LYS   8          2HE       LYS   8  -7.057  -4.793   0.642
   58    HE3  LYS   8          1HE       LYS   8  -6.600  -4.531   2.322
   59    HZ1  LYS   8          1HZ       LYS   8  -9.031  -3.495   0.974
   60    HZ2  LYS   8          2HZ       LYS   8  -8.593  -3.107   2.540
   61    HZ3  LYS   8          3HZ       LYS   8  -8.978  -4.693   2.147
   62    H    LYS   9           HN       LYS   9  -4.325  -0.246  -2.832
   63    HA   LYS   9           HA       LYS   9  -4.794  -2.515  -4.605
   64    HB2  LYS   9          2HB       LYS   9  -2.885  -0.217  -5.076
   65    HB3  LYS   9          1HB       LYS   9  -3.021  -1.643  -6.079
   66    HG2  LYS   9          2HG       LYS   9  -5.400  -0.931  -6.559
   67    HG3  LYS   9          1HG       LYS   9  -5.018   0.588  -5.740
   68    HD2  LYS   9          2HD       LYS   9  -4.667   0.958  -8.076
   69    HD3  LYS   9          1HD       LYS   9  -3.069   0.834  -7.335
   70    HE2  LYS   9          2HE       LYS   9  -3.083  -1.614  -8.009
   71    HE3  LYS   9          1HE       LYS   9  -4.541  -1.270  -8.919
   72    HZ1  LYS   9          1HZ       LYS   9  -1.811  -0.235  -9.379
   73    HZ2  LYS   9          2HZ       LYS   9  -3.166   0.450 -10.120
   74    HZ3  LYS   9          3HZ       LYS   9  -2.762  -1.157 -10.420
   75    H    CYS  10           HN       CYS  10  -4.129  -3.875  -2.917
   76    HA   CYS  10           HA       CYS  10  -1.590  -3.413  -1.658
   77    HB2  CYS  10          2HB       CYS  10  -3.565  -4.301  -0.442
   78    HB3  CYS  10          1HB       CYS  10  -3.462  -5.766  -1.401
   79    H    LYS  11           HN       LYS  11  -2.663  -4.967  -4.468
   80    HA   LYS  11           HA       LYS  11  -0.460  -6.865  -4.529
   81    HB2  LYS  11          2HB       LYS  11  -2.434  -6.235  -6.737
   82    HB3  LYS  11          1HB       LYS  11  -1.332  -7.592  -6.672
   83    HG2  LYS  11          2HG       LYS  11  -2.554  -8.468  -4.714
   84    HG3  LYS  11          1HG       LYS  11  -3.703  -7.138  -4.873
   85    HD2  LYS  11          2HD       LYS  11  -3.149  -9.273  -6.945
   86    HD3  LYS  11          1HD       LYS  11  -4.562  -9.196  -5.899
   87    HE2  LYS  11          2HE       LYS  11  -3.805  -7.155  -8.006
   88    HE3  LYS  11          1HE       LYS  11  -5.044  -8.388  -8.166
   89    HZ1  LYS  11          1HZ       LYS  11  -5.968  -6.221  -7.594
   90    HZ2  LYS  11          2HZ       LYS  11  -5.095  -6.189  -6.159
   91    HZ3  LYS  11          3HZ       LYS  11  -6.290  -7.341  -6.385
   92    H    ASP  12           HN       ASP  12  -1.019  -3.654  -5.261
   93    HA   ASP  12           HA       ASP  12   0.791  -3.528  -7.523
   94    HB2  ASP  12          2HB       ASP  12  -1.256  -2.066  -7.317
   95    HB3  ASP  12          1HB       ASP  12  -0.453  -1.231  -5.993
   96    H    ARG  13           HN       ARG  13   2.819  -2.911  -7.414
   97    HA   ARG  13           HA       ARG  13   4.296  -3.321  -5.082
   98    HB2  ARG  13          2HB       ARG  13   5.063  -2.119  -7.729
   99    HB3  ARG  13          1HB       ARG  13   6.200  -2.227  -6.405
  100    HG2  ARG  13          2HG       ARG  13   6.477  -4.038  -8.038
  101    HG3  ARG  13          1HG       ARG  13   6.080  -4.645  -6.437
  102    HD2  ARG  13          2HD       ARG  13   4.918  -5.823  -8.280
  103    HD3  ARG  13          1HD       ARG  13   3.814  -5.091  -7.118
  104    HE   ARG  13           HE       ARG  13   4.178  -3.243  -9.137
  105   HH11  ARG  13          1HH1      ARG  13   2.940  -6.557  -8.977
  106   HH12  ARG  13          2HH1      ARG  13   1.760  -6.329 -10.183
  107   HH21  ARG  13          1HH2      ARG  13   2.557  -2.912 -10.753
  108   HH22  ARG  13          2HH2      ARG  13   1.530  -4.186 -11.211
  109    H    ARG  14           HN       ARG  14   2.926  -0.370  -6.348
  110    HA   ARG  14           HA       ARG  14   4.691   1.391  -4.981
  111    HB2  ARG  14          2HB       ARG  14   3.320   3.145  -5.703
  112    HB3  ARG  14          1HB       ARG  14   3.067   1.921  -6.936
  113    HG2  ARG  14          2HG       ARG  14   1.004   1.240  -5.644
  114    HG3  ARG  14          1HG       ARG  14   1.230   2.707  -4.695
  115    HD2  ARG  14          2HD       ARG  14  -0.315   3.234  -6.401
  116    HD3  ARG  14          1HD       ARG  14   1.222   3.959  -6.891
  117    HE   ARG  14           HE       ARG  14   0.945   1.335  -7.884
  118   HH11  ARG  14          1HH1      ARG  14  -0.084   4.662  -8.515
  119   HH12  ARG  14          2HH1      ARG  14  -0.458   4.369 -10.150
  120   HH21  ARG  14          1HH2      ARG  14   0.375   0.936 -10.025
  121   HH22  ARG  14          2HH2      ARG  14  -0.172   2.194 -11.067
  122    H    CYS  15           HN       CYS  15   2.035  -0.531  -3.956
  123    HA   CYS  15           HA       CYS  15   1.771   1.026  -1.494
  124    HB2  CYS  15          2HB       CYS  15  -0.049  -1.121  -2.592
  125    HB3  CYS  15          1HB       CYS  15  -0.376  -0.066  -1.222
  126    H    LYS  16           HN       LYS  16   3.679  -1.271  -2.544
  127    HA   LYS  16           HA       LYS  16   3.234  -3.152  -0.385
  128    HB2  LYS  16          2HB       LYS  16   5.001  -3.332  -2.797
  129    HB3  LYS  16          1HB       LYS  16   5.087  -4.483  -1.474
  130    HG2  LYS  16          2HG       LYS  16   2.689  -5.000  -1.833
  131    HG3  LYS  16          1HG       LYS  16   2.713  -3.931  -3.238
  132    HD2  LYS  16          2HD       LYS  16   4.363  -5.318  -4.320
  133    HD3  LYS  16          1HD       LYS  16   4.519  -6.321  -2.883
  134    HE2  LYS  16          2HE       LYS  16   2.067  -6.038  -4.617
  135    HE3  LYS  16          1HE       LYS  16   3.149  -7.427  -4.553
  136    HZ1  LYS  16          1HZ       LYS  16   1.309  -6.475  -2.412
  137    HZ2  LYS  16          2HZ       LYS  16   2.529  -7.598  -2.142
  138    HZ3  LYS  16          3HZ       LYS  16   1.296  -7.960  -3.206
  139    HA   HYP  17           HA       HYP  17   7.415  -1.382   1.032
  140    HB2  HYP  17          1HB       HYP  17   8.197   0.356  -0.312
  141    HB3  HYP  17          2HB       HYP  17   7.542   1.352   1.002
  142    HG   HYP  17           HG       HYP  17   5.514   1.697  -0.129
  143   HD22  HYP  17          1HD1      HYP  17   6.393  -0.491  -2.023
  144   HD23  HYP  17          2HD1      HYP  17   4.740   0.078  -1.698
  145    HD1  HYP  17          2HD       HYP  17   6.078   1.722  -2.385
  146    H    LEU  18           HN       LEU  18   4.311  -0.296   1.217
  147    HA   LEU  18           HA       LEU  18   4.410   1.106   3.724
  148    HB2  LEU  18          2HB       LEU  18   2.059   0.090   2.129
  149    HB3  LEU  18          1HB       LEU  18   2.041   1.352   3.350
  150    HG   LEU  18           HG       LEU  18   3.441   1.581   0.658
  151   HD11  LEU  18          1HD1      LEU  18   0.989   1.543   0.508
  152   HD12  LEU  18          2HD1      LEU  18   1.707   3.076   0.037
  153   HD13  LEU  18          3HD1      LEU  18   0.927   2.922   1.612
  154   HD21  LEU  18          1HD2      LEU  18   4.525   2.892   2.418
  155   HD22  LEU  18          2HD2      LEU  18   2.973   3.625   2.828
  156   HD23  LEU  18          3HD2      LEU  18   3.703   3.929   1.253
  157    H    LYS  19           HN       LYS  19   4.048   0.155   5.647
  158    HA   LYS  19           HA       LYS  19   4.776  -2.484   6.002
  159    HB2  LYS  19          2HB       LYS  19   3.252  -0.787   7.968
  160    HB3  LYS  19          1HB       LYS  19   4.181  -2.226   8.356
  161    HG2  LYS  19          2HG       LYS  19   5.275   0.377   7.289
  162    HG3  LYS  19          1HG       LYS  19   5.416  -0.226   8.938
  163    HD2  LYS  19          2HD       LYS  19   6.758  -2.099   8.134
  164    HD3  LYS  19          1HD       LYS  19   6.583  -1.525   6.473
  165    HE2  LYS  19          2HE       LYS  19   7.703   0.574   7.105
  166    HE3  LYS  19          1HE       LYS  19   7.901  -0.056   8.741
  167    HZ1  LYS  19          1HZ       LYS  19   9.082  -1.236   6.289
  168    HZ2  LYS  19          2HZ       LYS  19   9.255  -1.839   7.847
  169    HZ3  LYS  19          3HZ       LYS  19   9.910  -0.338   7.449
  170    H    CYS  20           HN       CYS  20   1.547  -1.232   5.755
  171    HA   CYS  20           HA       CYS  20   0.157  -3.470   6.704
  172    HB2  CYS  20          2HB       CYS  20  -1.749  -2.441   5.382
  173    HB3  CYS  20          1HB       CYS  20  -0.969  -1.414   6.589
  174    H    CYS  21           HN       CYS  21   1.810  -3.002   3.702
  175    HA   CYS  21           HA       CYS  21   0.821  -5.591   2.806
  176    HB2  CYS  21          2HB       CYS  21   0.988  -3.086   1.130
  177    HB3  CYS  21          1HB       CYS  21   0.927  -4.697   0.425
  178    H    ALA  22           HN       ALA  22   3.262  -4.458   4.114
  179    HA   ALA  22           HA       ALA  22   5.280  -5.125   2.110
  180    HB1  ALA  22          2HB       ALA  22   6.903  -4.165   3.669
  181    HB2  ALA  22          3HB       ALA  22   5.621  -3.916   4.854
  182    HB3  ALA  22          1HB       ALA  22   5.606  -3.017   3.337
  183    HN1  NH2  23          2H        ALA  22   5.736  -8.285   3.372
  184    HN2  NH2  23          1H        ALA  22   5.602  -7.197   2.029
  Start of MODEL    4
    1    H1   ARG   1          1HT       ARG   1   1.438   7.870   3.479
    2    H2   ARG   1          2HT       ARG   1   2.346   8.381   2.153
    3    H3   ARG   1          3HT       ARG   1   2.281   6.753   2.577
    4    HA   ARG   1           HA       ARG   1  -0.030   8.293   1.644
    5    HB2  ARG   1          2HB       ARG   1   1.535   7.939  -0.178
    6    HB3  ARG   1          1HB       ARG   1   1.735   6.255   0.276
    7    HG2  ARG   1          2HG       ARG   1  -0.597   5.817  -0.285
    8    HG3  ARG   1          1HG       ARG   1  -0.801   7.505  -0.733
    9    HD2  ARG   1          2HD       ARG   1   1.163   5.629  -2.039
   10    HD3  ARG   1          1HD       ARG   1  -0.459   5.935  -2.648
   11    HE   ARG   1           HE       ARG   1   1.075   8.323  -2.279
   12   HH11  ARG   1          1HH1      ARG   1   0.424   5.656  -4.490
   13   HH12  ARG   1          2HH1      ARG   1   0.845   6.508  -5.895
   14   HH21  ARG   1          1HH2      ARG   1   1.665   9.528  -4.239
   15   HH22  ARG   1          2HH2      ARG   1   1.594   8.745  -5.745
   16    H    ASP   2           HN       ASP   2  -1.926   7.297   2.142
   17    HA   ASP   2           HA       ASP   2  -1.765   4.712   3.407
   18    HB2  ASP   2          2HB       ASP   2  -4.159   4.900   3.847
   19    HB3  ASP   2          1HB       ASP   2  -3.382   6.402   4.310
   20    H    CYS   3           HN       CYS   3  -2.111   2.888   2.450
   21    HA   CYS   3           HA       CYS   3  -3.261   2.964  -0.247
   22    HB2  CYS   3          2HB       CYS   3  -0.828   2.462  -0.164
   23    HB3  CYS   3          1HB       CYS   3  -1.199   1.024   0.784
   24    H    CYS   4           HN       CYS   4  -3.543   1.820   2.901
   25    HA   CYS   4           HA       CYS   4  -4.885  -0.636   2.248
   26    HB2  CYS   4          2HB       CYS   4  -4.363   0.697   4.896
   27    HB3  CYS   4          1HB       CYS   4  -5.018  -0.927   4.679
   28    H    THR   5           HN       THR   5  -5.899   2.457   2.100
   29    HA   THR   5           HA       THR   5  -8.386   2.107   3.404
   30    HB   THR   5           HB       THR   5  -7.634   4.189   1.327
   31    HG1  THR   5          1HG       THR   5  -6.500   5.057   2.850
   32   HG21  THR   5          1HG2      THR   5 -10.040   3.967   1.779
   33   HG22  THR   5          2HG2      THR   5  -9.423   5.504   2.409
   34   HG23  THR   5          3HG2      THR   5  -9.729   4.141   3.499
   35    HA   HYP   6           HA       HYP   6  -9.750  -0.584   0.103
   36    HB2  HYP   6          1HB       HYP   6 -11.331  -1.726   1.292
   37    HB3  HYP   6          2HB       HYP   6 -12.447  -0.356   1.177
   38    HG   HYP   6           HG       HYP   6 -11.949  -0.398   3.532
   39   HD22  HYP   6          1HD1      HYP   6 -10.059   1.357   3.641
   40   HD23  HYP   6          2HD1      HYP   6 -11.393   1.771   2.520
   41    HD1  HYP   6          2HD       HYP   6  -9.293  -0.447   3.231
   42    HA   HYP   7           HA       HYP   7 -10.607  -1.425  -1.734
   43    HB2  HYP   7          1HB       HYP   7 -11.290  -1.443  -3.907
   44    HB3  HYP   7          2HB       HYP   7  -9.813  -0.572  -4.336
   45    HG   HYP   7           HG       HYP   7 -11.360   1.105  -4.912
   46   HD22  HYP   7          1HD1      HYP   7 -11.926   2.313  -2.605
   47   HD23  HYP   7          2HD1      HYP   7 -10.204   2.119  -3.026
   48    HD1  HYP   7          2HD       HYP   7 -12.981   0.145  -2.848
   49    H    LYS   8           HN       LYS   8  -8.756  -2.154  -1.174
   50    HA   LYS   8           HA       LYS   8  -6.556  -0.436  -0.676
   51    HB2  LYS   8          2HB       LYS   8  -6.624  -3.444  -0.594
   52    HB3  LYS   8          1HB       LYS   8  -5.433  -2.394   0.152
   53    HG2  LYS   8          2HG       LYS   8  -7.293  -1.444   1.541
   54    HG3  LYS   8          1HG       LYS   8  -8.315  -2.697   0.870
   55    HD2  LYS   8          2HD       LYS   8  -6.871  -4.441   1.687
   56    HD3  LYS   8          1HD       LYS   8  -5.749  -3.245   2.332
   57    HE2  LYS   8          2HE       LYS   8  -7.463  -2.436   3.848
   58    HE3  LYS   8          1HE       LYS   8  -8.609  -3.602   3.194
   59    HZ1  LYS   8          1HZ       LYS   8  -7.285  -5.389   4.022
   60    HZ2  LYS   8          2HZ       LYS   8  -7.516  -4.293   5.294
   61    HZ3  LYS   8          3HZ       LYS   8  -6.057  -4.350   4.501
   62    H    LYS   9           HN       LYS   9  -4.746  -0.210  -1.749
   63    HA   LYS   9           HA       LYS   9  -4.703  -1.359  -4.434
   64    HB2  LYS   9          2HB       LYS   9  -3.617   1.207  -3.293
   65    HB3  LYS   9          1HB       LYS   9  -3.220   0.634  -4.909
   66    HG2  LYS   9          2HG       LYS   9  -5.406   0.880  -5.682
   67    HG3  LYS   9          1HG       LYS   9  -6.075   0.939  -4.053
   68    HD2  LYS   9          2HD       LYS   9  -4.228   3.060  -5.117
   69    HD3  LYS   9          1HD       LYS   9  -5.974   3.130  -5.353
   70    HE2  LYS   9          2HE       LYS   9  -4.596   2.944  -2.663
   71    HE3  LYS   9          1HE       LYS   9  -5.199   4.428  -3.385
   72    HZ1  LYS   9          1HZ       LYS   9  -6.936   2.081  -2.663
   73    HZ2  LYS   9          2HZ       LYS   9  -7.443   3.549  -3.295
   74    HZ3  LYS   9          3HZ       LYS   9  -6.764   3.508  -1.775
   75    H    CYS  10           HN       CYS  10  -3.713  -2.483  -1.855
   76    HA   CYS  10           HA       CYS  10  -0.882  -2.509  -1.795
   77    HB2  CYS  10          2HB       CYS  10  -2.860  -4.526  -0.733
   78    HB3  CYS  10          1HB       CYS  10  -1.162  -4.473  -0.294
   79    H    LYS  11           HN       LYS  11  -2.866  -3.648  -4.058
   80    HA   LYS  11           HA       LYS  11  -1.646  -6.096  -4.894
   81    HB2  LYS  11          2HB       LYS  11  -3.380  -4.091  -6.339
   82    HB3  LYS  11          1HB       LYS  11  -2.971  -5.680  -6.949
   83    HG2  LYS  11          2HG       LYS  11  -4.568  -5.127  -4.447
   84    HG3  LYS  11          1HG       LYS  11  -5.250  -5.544  -6.014
   85    HD2  LYS  11          2HD       LYS  11  -3.439  -7.267  -4.323
   86    HD3  LYS  11          1HD       LYS  11  -5.167  -7.497  -4.574
   87    HE2  LYS  11          2HE       LYS  11  -4.740  -7.832  -6.994
   88    HE3  LYS  11          1HE       LYS  11  -3.016  -7.660  -6.685
   89    HZ1  LYS  11          1HZ       LYS  11  -3.529  -9.947  -6.796
   90    HZ2  LYS  11          2HZ       LYS  11  -4.793  -9.801  -5.693
   91    HZ3  LYS  11          3HZ       LYS  11  -3.202  -9.594  -5.174
   92    H    ASP  12           HN       ASP  12  -1.078  -2.702  -5.221
   93    HA   ASP  12           HA       ASP  12   0.501  -2.940  -7.652
   94    HB2  ASP  12          2HB       ASP  12  -1.180  -1.050  -7.161
   95    HB3  ASP  12          1HB       ASP  12  -0.003  -0.468  -6.000
   96    H    ARG  13           HN       ARG  13   2.653  -2.629  -7.694
   97    HA   ARG  13           HA       ARG  13   4.294  -3.248  -5.520
   98    HB2  ARG  13          2HB       ARG  13   6.165  -2.505  -6.968
   99    HB3  ARG  13          1HB       ARG  13   5.066  -3.622  -7.766
  100    HG2  ARG  13          2HG       ARG  13   3.972  -1.709  -8.863
  101    HG3  ARG  13          1HG       ARG  13   5.137  -0.633  -8.102
  102    HD2  ARG  13          2HD       ARG  13   6.948  -1.663  -9.317
  103    HD3  ARG  13          1HD       ARG  13   5.851  -2.880  -9.981
  104    HE   ARG  13           HE       ARG  13   4.760  -0.487 -10.655
  105   HH11  ARG  13          1HH1      ARG  13   7.888  -1.987 -11.303
  106   HH12  ARG  13          2HH1      ARG  13   8.065  -1.278 -12.847
  107   HH21  ARG  13          1HH2      ARG  13   5.033   0.487 -12.784
  108   HH22  ARG  13          2HH2      ARG  13   6.432   0.137 -13.682
  109    H    ARG  14           HN       ARG  14   3.003  -0.187  -6.529
  110    HA   ARG  14           HA       ARG  14   4.727   1.646  -5.313
  111    HB2  ARG  14          2HB       ARG  14   1.734   1.685  -5.647
  112    HB3  ARG  14          1HB       ARG  14   2.655   3.059  -5.065
  113    HG2  ARG  14          2HG       ARG  14   3.776   3.290  -7.129
  114    HG3  ARG  14          1HG       ARG  14   3.173   1.731  -7.695
  115    HD2  ARG  14          2HD       ARG  14   0.919   2.588  -7.743
  116    HD3  ARG  14          1HD       ARG  14   1.458   4.115  -7.048
  117    HE   ARG  14           HE       ARG  14   2.785   4.415  -9.083
  118   HH11  ARG  14          1HH1      ARG  14   0.112   2.079  -9.320
  119   HH12  ARG  14          2HH1      ARG  14  -0.300   2.514 -10.902
  120   HH21  ARG  14          1HH2      ARG  14   2.204   4.963 -11.308
  121   HH22  ARG  14          2HH2      ARG  14   0.927   4.170 -12.084
  122    H    CYS  15           HN       CYS  15   2.445  -0.557  -3.911
  123    HA   CYS  15           HA       CYS  15   2.649   0.805  -1.340
  124    HB2  CYS  15          2HB       CYS  15   0.728  -1.289  -2.307
  125    HB3  CYS  15          1HB       CYS  15   0.673  -0.504  -0.727
  126    H    LYS  16           HN       LYS  16   4.486  -1.243  -2.783
  127    HA   LYS  16           HA       LYS  16   4.496  -3.451  -0.940
  128    HB2  LYS  16          2HB       LYS  16   5.189  -3.784  -3.259
  129    HB3  LYS  16          1HB       LYS  16   6.494  -2.632  -3.056
  130    HG2  LYS  16          2HG       LYS  16   7.600  -4.144  -1.496
  131    HG3  LYS  16          1HG       LYS  16   6.267  -5.296  -1.661
  132    HD2  LYS  16          2HD       LYS  16   6.709  -5.503  -4.026
  133    HD3  LYS  16          1HD       LYS  16   8.006  -4.314  -3.911
  134    HE2  LYS  16          2HE       LYS  16   9.243  -5.824  -2.441
  135    HE3  LYS  16          1HE       LYS  16   7.938  -7.008  -2.554
  136    HZ1  LYS  16          1HZ       LYS  16   8.333  -7.139  -4.939
  137    HZ2  LYS  16          2HZ       LYS  16   9.716  -7.543  -4.084
  138    HZ3  LYS  16          3HZ       LYS  16   9.611  -6.044  -4.826
  139    HA   HYP  17           HA       HYP  17   8.249  -0.896   0.961
  140    HB2  HYP  17          1HB       HYP  17   8.879   0.846  -0.483
  141    HB3  HYP  17          2HB       HYP  17   8.005   1.822   0.711
  142    HG   HYP  17           HG       HYP  17   5.983   1.667  -0.522
  143   HD22  HYP  17          1HD1      HYP  17   7.523  -0.353  -2.175
  144   HD23  HYP  17          2HD1      HYP  17   5.760  -0.079  -2.184
  145    HD1  HYP  17          2HD       HYP  17   6.464   2.042  -2.595
  146    H    LEU  18           HN       LEU  18   4.948  -0.389   0.932
  147    HA   LEU  18           HA       LEU  18   4.804   1.101   3.429
  148    HB2  LEU  18          2HB       LEU  18   2.610   0.085   1.609
  149    HB3  LEU  18          1HB       LEU  18   2.386   1.154   2.976
  150    HG   LEU  18           HG       LEU  18   3.859   1.846   0.417
  151   HD11  LEU  18          1HD1      LEU  18   2.000   3.359   0.022
  152   HD12  LEU  18          2HD1      LEU  18   1.219   2.806   1.500
  153   HD13  LEU  18          3HD1      LEU  18   1.428   1.695   0.149
  154   HD21  LEU  18          1HD2      LEU  18   3.218   3.536   2.834
  155   HD22  LEU  18          2HD2      LEU  18   3.930   4.117   1.329
  156   HD23  LEU  18          3HD2      LEU  18   4.820   2.985   2.348
  157    H    LYS  19           HN       LYS  19   4.866  -0.044   5.240
  158    HA   LYS  19           HA       LYS  19   4.856  -2.870   5.108
  159    HB2  LYS  19          2HB       LYS  19   5.354  -2.913   7.462
  160    HB3  LYS  19          1HB       LYS  19   6.288  -1.642   6.698
  161    HG2  LYS  19          2HG       LYS  19   4.660   0.007   7.548
  162    HG3  LYS  19          1HG       LYS  19   3.821  -1.307   8.370
  163    HD2  LYS  19          2HD       LYS  19   5.951  -1.838   9.551
  164    HD3  LYS  19          1HD       LYS  19   6.649  -0.384   8.844
  165    HE2  LYS  19          2HE       LYS  19   5.915   0.149  11.064
  166    HE3  LYS  19          1HE       LYS  19   4.830   0.937   9.921
  167    HZ1  LYS  19          1HZ       LYS  19   3.232  -0.889  10.292
  168    HZ2  LYS  19          2HZ       LYS  19   3.595  -0.048  11.697
  169    HZ3  LYS  19          3HZ       LYS  19   4.294  -1.557  11.431
  170    H    CYS  20           HN       CYS  20   2.335  -0.676   5.532
  171    HA   CYS  20           HA       CYS  20   0.520  -2.290   6.980
  172    HB2  CYS  20          2HB       CYS  20   0.143   0.117   6.654
  173    HB3  CYS  20          1HB       CYS  20  -0.012  -0.122   4.922
  174    H    CYS  21           HN       CYS  21   1.624  -2.287   3.679
  175    HA   CYS  21           HA       CYS  21  -0.407  -4.241   2.894
  176    HB2  CYS  21          2HB       CYS  21   1.554  -2.616   1.286
  177    HB3  CYS  21          1HB       CYS  21   0.470  -3.790   0.574
  178    H    ALA  22           HN       ALA  22   2.345  -4.351   4.455
  179    HA   ALA  22           HA       ALA  22   3.499  -6.507   2.850
  180    HB1  ALA  22          2HB       ALA  22   5.027  -4.646   3.385
  181    HB2  ALA  22          3HB       ALA  22   5.555  -6.168   4.104
  182    HB3  ALA  22          1HB       ALA  22   4.763  -4.951   5.104
  183    HN1  NH2  23          2H        ALA  22   2.029  -8.713   5.096
  184    HN2  NH2  23          1H        ALA  22   2.058  -8.060   3.497
  Start of MODEL    5
    1    H1   ARG   1          1HT       ARG   1   2.293   7.763  -0.183
    2    H2   ARG   1          2HT       ARG   1   1.253   8.948   0.394
    3    H3   ARG   1          3HT       ARG   1   1.937   9.091  -1.154
    4    HA   ARG   1           HA       ARG   1  -0.365   8.390  -1.254
    5    HB2  ARG   1          2HB       ARG   1   1.072   7.629  -3.053
    6    HB3  ARG   1          1HB       ARG   1   1.702   6.331  -2.062
    7    HG2  ARG   1          2HG       ARG   1   0.210   5.376  -3.673
    8    HG3  ARG   1          1HG       ARG   1  -0.556   5.272  -2.095
    9    HD2  ARG   1          2HD       ARG   1  -1.161   7.384  -4.170
   10    HD3  ARG   1          1HD       ARG   1  -2.088   5.913  -3.955
   11    HE   ARG   1           HE       ARG   1  -2.548   6.768  -1.647
   12   HH11  ARG   1          1HH1      ARG   1  -1.830   9.021  -4.310
   13   HH12  ARG   1          2HH1      ARG   1  -2.786  10.272  -3.685
   14   HH21  ARG   1          1HH2      ARG   1  -3.826   8.596  -0.739
   15   HH22  ARG   1          2HH2      ARG   1  -3.932  10.011  -1.655
   16    H    ASP   2           HN       ASP   2  -1.631   7.959   0.509
   17    HA   ASP   2           HA       ASP   2  -1.183   5.651   2.113
   18    HB2  ASP   2          2HB       ASP   2  -3.340   6.111   3.140
   19    HB3  ASP   2          1HB       ASP   2  -2.563   7.661   2.873
   20    H    CYS   3           HN       CYS   3  -1.496   3.682   1.472
   21    HA   CYS   3           HA       CYS   3  -3.332   3.275  -0.788
   22    HB2  CYS   3          2HB       CYS   3  -0.873   3.146  -1.350
   23    HB3  CYS   3          1HB       CYS   3  -0.796   1.709  -0.342
   24    H    CYS   4           HN       CYS   4  -2.694   2.493   2.408
   25    HA   CYS   4           HA       CYS   4  -3.798  -0.176   2.192
   26    HB2  CYS   4          2HB       CYS   4  -2.723   1.287   4.605
   27    HB3  CYS   4          1HB       CYS   4  -3.223  -0.401   4.555
   28    H    THR   5           HN       THR   5  -5.003   2.887   2.455
   29    HA   THR   5           HA       THR   5  -7.056   2.447   4.307
   30    HB   THR   5           HB       THR   5  -7.170   4.289   1.904
   31    HG1  THR   5          1HG       THR   5  -5.799   5.583   2.891
   32   HG21  THR   5          1HG2      THR   5  -9.219   4.006   3.214
   33   HG22  THR   5          2HG2      THR   5  -8.575   5.642   3.435
   34   HG23  THR   5          3HG2      THR   5  -8.343   4.406   4.682
   35    HA   HYP   6           HA       HYP   6  -9.019  -0.597   1.677
   36    HB2  HYP   6          1HB       HYP   6 -10.297  -1.700   3.222
   37    HB3  HYP   6          2HB       HYP   6 -11.394  -0.319   3.384
   38    HG   HYP   6           HG       HYP   6 -10.210  -0.383   5.509
   39   HD22  HYP   6          1HD1      HYP   6  -8.524   1.514   5.047
   40   HD23  HYP   6          2HD1      HYP   6 -10.149   1.813   4.367
   41    HD1  HYP   6          2HD       HYP   6  -7.787  -0.251   4.373
   42    HA   HYP   7           HA       HYP   7 -10.350  -1.771   0.393
   43    HB2  HYP   7          1HB       HYP   7 -11.774  -2.134  -1.348
   44    HB3  HYP   7          2HB       HYP   7 -10.486  -1.532  -2.397
   45    HG   HYP   7           HG       HYP   7 -11.997   0.163  -2.883
   46   HD22  HYP   7          1HD1      HYP   7 -12.032   1.791  -0.729
   47   HD23  HYP   7          2HD1      HYP   7 -10.489   1.510  -1.574
   48    HD1  HYP   7          2HD       HYP   7 -13.618   0.697  -1.435
   49    H    LYS   8           HN       LYS   8  -8.467  -2.593   0.171
   50    HA   LYS   8           HA       LYS   8  -6.427  -1.018  -1.161
   51    HB2  LYS   8          2HB       LYS   8  -4.824  -2.164   0.468
   52    HB3  LYS   8          1HB       LYS   8  -5.835  -0.865   1.091
   53    HG2  LYS   8          2HG       LYS   8  -7.320  -2.368   2.057
   54    HG3  LYS   8          1HG       LYS   8  -6.561  -3.760   1.317
   55    HD2  LYS   8          2HD       LYS   8  -5.234  -1.899   3.339
   56    HD3  LYS   8          1HD       LYS   8  -5.977  -3.429   3.777
   57    HE2  LYS   8          2HE       LYS   8  -3.623  -3.105   1.897
   58    HE3  LYS   8          1HE       LYS   8  -3.517  -3.571   3.590
   59    HZ1  LYS   8          1HZ       LYS   8  -4.890  -5.117   1.451
   60    HZ2  LYS   8          2HZ       LYS   8  -4.858  -5.546   3.057
   61    HZ3  LYS   8          3HZ       LYS   8  -3.431  -5.526   2.175
   62    H    LYS   9           HN       LYS   9  -5.446  -1.913  -2.697
   63    HA   LYS   9           HA       LYS   9  -5.229  -4.804  -2.900
   64    HB2  LYS   9          2HB       LYS   9  -6.100  -2.953  -5.142
   65    HB3  LYS   9          1HB       LYS   9  -5.610  -4.617  -5.388
   66    HG2  LYS   9          2HG       LYS   9  -7.482  -5.346  -3.953
   67    HG3  LYS   9          1HG       LYS   9  -7.976  -3.668  -3.780
   68    HD2  LYS   9          2HD       LYS   9  -9.393  -4.589  -5.437
   69    HD3  LYS   9          1HD       LYS   9  -8.219  -3.618  -6.309
   70    HE2  LYS   9          2HE       LYS   9  -7.993  -6.619  -5.962
   71    HE3  LYS   9          1HE       LYS   9  -8.790  -5.868  -7.333
   72    HZ1  LYS   9          1HZ       LYS   9  -5.886  -5.721  -6.645
   73    HZ2  LYS   9          2HZ       LYS   9  -6.623  -4.794  -7.851
   74    HZ3  LYS   9          3HZ       LYS   9  -6.610  -6.437  -7.982
   75    H    CYS  10           HN       CYS  10  -3.137  -5.115  -2.795
   76    HA   CYS  10           HA       CYS  10  -1.306  -3.019  -3.465
   77    HB2  CYS  10          2HB       CYS  10  -0.771  -5.828  -2.512
   78    HB3  CYS  10          1HB       CYS  10   0.457  -4.587  -2.729
   79    H    LYS  11           HN       LYS  11  -2.033  -2.976  -5.677
   80    HA   LYS  11           HA       LYS  11  -0.649  -4.940  -7.369
   81    HB2  LYS  11          2HB       LYS  11  -1.972  -4.077  -9.219
   82    HB3  LYS  11          1HB       LYS  11  -3.016  -4.517  -7.877
   83    HG2  LYS  11          2HG       LYS  11  -3.112  -2.099  -7.244
   84    HG3  LYS  11          1HG       LYS  11  -2.224  -1.731  -8.722
   85    HD2  LYS  11          2HD       LYS  11  -4.907  -3.113  -8.568
   86    HD3  LYS  11          1HD       LYS  11  -4.650  -1.426  -8.998
   87    HE2  LYS  11          2HE       LYS  11  -3.560  -3.785 -10.545
   88    HE3  LYS  11          1HE       LYS  11  -5.036  -2.927 -10.952
   89    HZ1  LYS  11          1HZ       LYS  11  -2.315  -1.732 -10.890
   90    HZ2  LYS  11          2HZ       LYS  11  -3.720  -0.921 -11.304
   91    HZ3  LYS  11          3HZ       LYS  11  -3.154  -2.184 -12.268
   92    H    ASP  12           HN       ASP  12  -0.392  -1.829  -6.119
   93    HA   ASP  12           HA       ASP  12   1.453  -0.966  -8.217
   94    HB2  ASP  12          2HB       ASP  12  -0.482   0.538  -7.507
   95    HB3  ASP  12          1HB       ASP  12   0.327   0.694  -5.951
   96    H    ARG  13           HN       ARG  13   3.602  -0.754  -7.697
   97    HA   ARG  13           HA       ARG  13   4.446  -2.125  -5.377
   98    HB2  ARG  13          2HB       ARG  13   6.703  -1.751  -6.080
   99    HB3  ARG  13          1HB       ARG  13   5.728  -2.205  -7.468
  100    HG2  ARG  13          2HG       ARG  13   5.637   0.091  -8.182
  101    HG3  ARG  13          1HG       ARG  13   6.570   0.597  -6.767
  102    HD2  ARG  13          2HD       ARG  13   8.421  -0.822  -7.535
  103    HD3  ARG  13          1HD       ARG  13   7.453  -1.263  -8.944
  104    HE   ARG  13           HE       ARG  13   7.988   1.538  -8.465
  105   HH11  ARG  13          1HH1      ARG  13   8.642  -1.372 -10.381
  106   HH12  ARG  13          2HH1      ARG  13   9.379  -0.537 -11.666
  107   HH21  ARG  13          1HH2      ARG  13   9.023   2.689 -10.207
  108   HH22  ARG  13          2HH2      ARG  13   9.593   1.825 -11.560
  109    H    ARG  14           HN       ARG  14   3.658   1.182  -5.835
  110    HA   ARG  14           HA       ARG  14   5.404   2.224  -3.833
  111    HB2  ARG  14          2HB       ARG  14   2.785   3.235  -4.942
  112    HB3  ARG  14          1HB       ARG  14   3.728   4.117  -3.752
  113    HG2  ARG  14          2HG       ARG  14   5.531   4.406  -5.289
  114    HG3  ARG  14          1HG       ARG  14   4.785   3.300  -6.444
  115    HD2  ARG  14          2HD       ARG  14   3.566   5.902  -5.538
  116    HD3  ARG  14          1HD       ARG  14   4.468   5.688  -7.043
  117    HE   ARG  14           HE       ARG  14   2.554   3.731  -7.015
  118   HH11  ARG  14          1HH1      ARG  14   2.404   7.284  -6.900
  119   HH12  ARG  14          2HH1      ARG  14   0.999   7.390  -7.846
  120   HH21  ARG  14          1HH2      ARG  14   0.682   3.875  -8.277
  121   HH22  ARG  14          2HH2      ARG  14  -0.056   5.376  -8.630
  122    H    CYS  15           HN       CYS  15   2.609   0.303  -3.772
  123    HA   CYS  15           HA       CYS  15   1.854   1.011  -1.062
  124    HB2  CYS  15          2HB       CYS  15   0.784  -1.172  -2.840
  125    HB3  CYS  15          1HB       CYS  15   0.008  -0.453  -1.430
  126    H    LYS  16           HN       LYS  16   4.228  -0.779  -2.442
  127    HA   LYS  16           HA       LYS  16   3.818  -3.238  -0.981
  128    HB2  LYS  16          2HB       LYS  16   4.592  -3.325  -3.288
  129    HB3  LYS  16          1HB       LYS  16   6.025  -2.408  -2.859
  130    HG2  LYS  16          2HG       LYS  16   6.802  -4.228  -1.475
  131    HG3  LYS  16          1HG       LYS  16   5.320  -5.127  -1.815
  132    HD2  LYS  16          2HD       LYS  16   5.887  -5.111  -4.207
  133    HD3  LYS  16          1HD       LYS  16   7.396  -4.285  -3.823
  134    HE2  LYS  16          2HE       LYS  16   7.701  -6.709  -4.097
  135    HE3  LYS  16          1HE       LYS  16   8.127  -6.137  -2.484
  136    HZ1  LYS  16          1HZ       LYS  16   6.848  -8.184  -2.426
  137    HZ2  LYS  16          2HZ       LYS  16   5.552  -7.461  -3.194
  138    HZ3  LYS  16          3HZ       LYS  16   6.046  -6.943  -1.653
  139    HA   HYP  17           HA       HYP  17   7.768  -1.518   1.326
  140    HB2  HYP  17          1HB       HYP  17   8.702   0.299   0.214
  141    HB3  HYP  17          2HB       HYP  17   7.855   1.217   1.480
  142    HG   HYP  17           HG       HYP  17   5.964   1.536   0.118
  143   HD22  HYP  17          1HD1      HYP  17   7.268  -0.500  -1.692
  144   HD23  HYP  17          2HD1      HYP  17   5.571   0.041  -1.707
  145    HD1  HYP  17          2HD       HYP  17   6.561   2.222  -1.691
  146    H    LEU  18           HN       LEU  18   4.590  -0.641   1.328
  147    HA   LEU  18           HA       LEU  18   4.502   0.633   3.914
  148    HB2  LEU  18          2HB       LEU  18   2.279  -0.182   2.044
  149    HB3  LEU  18          1HB       LEU  18   2.095   0.799   3.482
  150    HG   LEU  18           HG       LEU  18   3.600   1.619   0.971
  151   HD11  LEU  18          1HD1      LEU  18   1.005   2.620   2.138
  152   HD12  LEU  18          2HD1      LEU  18   1.140   1.546   0.757
  153   HD13  LEU  18          3HD1      LEU  18   1.783   3.189   0.658
  154   HD21  LEU  18          1HD2      LEU  18   3.743   3.812   2.046
  155   HD22  LEU  18          2HD2      LEU  18   4.607   2.587   2.972
  156   HD23  LEU  18          3HD2      LEU  18   3.022   3.149   3.511
  157    H    LYS  19           HN       LYS  19   4.504  -0.557   5.638
  158    HA   LYS  19           HA       LYS  19   4.377  -3.377   5.595
  159    HB2  LYS  19          2HB       LYS  19   4.473  -3.232   8.096
  160    HB3  LYS  19          1HB       LYS  19   5.760  -2.404   7.238
  161    HG2  LYS  19          2HG       LYS  19   4.500  -0.269   7.577
  162    HG3  LYS  19          1HG       LYS  19   3.356  -1.167   8.563
  163    HD2  LYS  19          2HD       LYS  19   5.007  -0.027   9.963
  164    HD3  LYS  19          1HD       LYS  19   5.149  -1.774  10.115
  165    HE2  LYS  19          2HE       LYS  19   7.349  -0.704   9.991
  166    HE3  LYS  19          1HE       LYS  19   7.093  -1.765   8.619
  167    HZ1  LYS  19          1HZ       LYS  19   8.120   0.330   7.976
  168    HZ2  LYS  19          2HZ       LYS  19   6.829   1.208   8.586
  169    HZ3  LYS  19          3HZ       LYS  19   6.615   0.194   7.252
  170    H    CYS  20           HN       CYS  20   1.846  -1.198   5.710
  171    HA   CYS  20           HA       CYS  20  -0.011  -2.873   7.109
  172    HB2  CYS  20          2HB       CYS  20  -1.631  -1.127   6.169
  173    HB3  CYS  20          1HB       CYS  20  -0.409  -0.576   7.314
  174    H    CYS  21           HN       CYS  21   1.282  -2.803   3.965
  175    HA   CYS  21           HA       CYS  21  -0.975  -3.746   2.513
  176    HB2  CYS  21          2HB       CYS  21   0.786  -2.705   1.272
  177    HB3  CYS  21          1HB       CYS  21   1.994  -3.777   1.963
  178    H    ALA  22           HN       ALA  22   1.677  -5.242   4.235
  179    HA   ALA  22           HA       ALA  22   0.314  -7.806   4.000
  180    HB1  ALA  22          2HB       ALA  22   3.293  -7.365   3.728
  181    HB2  ALA  22          3HB       ALA  22   2.195  -7.790   2.416
  182    HB3  ALA  22          1HB       ALA  22   2.479  -8.928   3.734
  183    HN1  NH2  23          2H        ALA  22   0.515  -7.436   7.469
  184    HN2  NH2  23          1H        ALA  22  -0.480  -7.429   6.056
  Start of MODEL    6
    1    H1   ARG   1          1HT       ARG   1  -0.557  10.364  -2.304
    2    H2   ARG   1          2HT       ARG   1   0.058   8.775  -2.134
    3    H3   ARG   1          3HT       ARG   1   0.269   9.897  -0.915
    4    HA   ARG   1           HA       ARG   1  -1.961   9.975  -0.352
    5    HB2  ARG   1          2HB       ARG   1  -3.648   8.582  -1.392
    6    HB3  ARG   1          1HB       ARG   1  -2.918   9.550  -2.655
    7    HG2  ARG   1          2HG       ARG   1  -1.676   7.671  -3.439
    8    HG3  ARG   1          1HG       ARG   1  -2.181   6.697  -2.057
    9    HD2  ARG   1          2HD       ARG   1  -4.525   6.917  -2.827
   10    HD3  ARG   1          1HD       ARG   1  -3.943   7.791  -4.245
   11    HE   ARG   1           HE       ARG   1  -2.531   5.444  -4.150
   12   HH11  ARG   1          1HH1      ARG   1  -5.935   6.311  -4.477
   13   HH12  ARG   1          2HH1      ARG   1  -6.360   4.945  -5.384
   14   HH21  ARG   1          1HH2      ARG   1  -3.096   3.515  -5.380
   15   HH22  ARG   1          2HH2      ARG   1  -4.689   3.338  -5.924
   16    H    ASP   2           HN       ASP   2  -3.175   8.029   0.606
   17    HA   ASP   2           HA       ASP   2  -1.197   6.224   1.764
   18    HB2  ASP   2          2HB       ASP   2  -2.600   7.514   3.283
   19    HB3  ASP   2          1HB       ASP   2  -4.050   6.877   2.501
   20    H    CYS   3           HN       CYS   3  -1.142   4.204   1.069
   21    HA   CYS   3           HA       CYS   3  -3.160   3.317  -0.864
   22    HB2  CYS   3          2HB       CYS   3  -0.789   2.991  -1.484
   23    HB3  CYS   3          1HB       CYS   3  -0.557   1.967  -0.074
   24    H    CYS   4           HN       CYS   4  -2.522   2.977   2.400
   25    HA   CYS   4           HA       CYS   4  -3.549   0.307   2.771
   26    HB2  CYS   4          2HB       CYS   4  -1.859   1.392   4.275
   27    HB3  CYS   4          1HB       CYS   4  -3.104   2.519   4.796
   28    H    THR   5           HN       THR   5  -4.893   3.284   2.147
   29    HA   THR   5           HA       THR   5  -7.142   3.286   3.723
   30    HB   THR   5           HB       THR   5  -6.911   4.411   0.922
   31    HG1  THR   5          1HG       THR   5  -5.413   5.007   2.962
   32   HG21  THR   5          1HG2      THR   5  -8.642   5.969   1.758
   33   HG22  THR   5          2HG2      THR   5  -8.648   5.051   3.282
   34   HG23  THR   5          3HG2      THR   5  -9.159   4.274   1.801
   35    HA   HYP   6           HA       HYP   6  -9.067  -0.242   1.770
   36    HB2  HYP   6          1HB       HYP   6 -10.008  -1.154   3.638
   37    HB3  HYP   6          2HB       HYP   6 -11.269   0.090   3.627
   38    HG   HYP   6           HG       HYP   6 -10.058   0.635   5.617
   39   HD22  HYP   6          1HD1      HYP   6  -8.451   2.447   4.709
   40   HD23  HYP   6          2HD1      HYP   6 -10.129   2.549   4.101
   41    HD1  HYP   6          2HD       HYP   6  -7.637   0.644   4.458
   42    HA   HYP   7           HA       HYP   7 -10.479  -1.630   0.958
   43    HB2  HYP   7          1HB       HYP   7 -12.053  -2.602  -0.396
   44    HB3  HYP   7          2HB       HYP   7 -11.382  -1.767  -1.805
   45    HG   HYP   7           HG       HYP   7 -13.500  -0.721  -1.617
   46   HD22  HYP   7          1HD1      HYP   7 -12.900   1.383  -0.125
   47   HD23  HYP   7          2HD1      HYP   7 -11.797   1.021  -1.478
   48    HD1  HYP   7          2HD       HYP   7 -13.580  -0.102   0.947
   49    H    LYS   8           HN       LYS   8  -8.416  -1.836   0.784
   50    HA   LYS   8           HA       LYS   8  -6.847  -0.325  -1.095
   51    HB2  LYS   8          2HB       LYS   8  -4.939  -1.531   0.117
   52    HB3  LYS   8          1HB       LYS   8  -5.900  -0.380   1.038
   53    HG2  LYS   8          2HG       LYS   8  -7.087  -2.030   2.083
   54    HG3  LYS   8          1HG       LYS   8  -6.496  -3.322   1.042
   55    HD2  LYS   8          2HD       LYS   8  -4.223  -2.926   2.046
   56    HD3  LYS   8          1HD       LYS   8  -4.946  -1.704   3.099
   57    HE2  LYS   8          2HE       LYS   8  -6.425  -3.405   4.051
   58    HE3  LYS   8          1HE       LYS   8  -5.701  -4.630   3.021
   59    HZ1  LYS   8          1HZ       LYS   8  -3.562  -4.209   4.176
   60    HZ2  LYS   8          2HZ       LYS   8  -4.770  -4.705   5.237
   61    HZ3  LYS   8          3HZ       LYS   8  -4.349  -3.086   5.156
   62    H    LYS   9           HN       LYS   9  -5.710  -1.053  -2.755
   63    HA   LYS   9           HA       LYS   9  -5.916  -3.908  -3.453
   64    HB2  LYS   9          2HB       LYS   9  -5.524  -1.654  -5.452
   65    HB3  LYS   9          1HB       LYS   9  -5.808  -3.335  -5.806
   66    HG2  LYS   9          2HG       LYS   9  -7.791  -2.237  -6.377
   67    HG3  LYS   9          1HG       LYS   9  -8.136  -2.980  -4.816
   68    HD2  LYS   9          2HD       LYS   9  -7.826  -0.872  -3.690
   69    HD3  LYS   9          1HD       LYS   9  -7.277  -0.108  -5.178
   70    HE2  LYS   9          2HE       LYS   9  -9.591   0.488  -4.663
   71    HE3  LYS   9          1HE       LYS   9  -9.473  -0.416  -6.166
   72    HZ1  LYS   9          1HZ       LYS   9 -10.220  -1.627  -3.562
   73    HZ2  LYS   9          2HZ       LYS   9 -10.281  -2.369  -5.069
   74    HZ3  LYS   9          3HZ       LYS   9 -11.323  -1.108  -4.713
   75    H    CYS  10           HN       CYS  10  -3.909  -4.493  -2.570
   76    HA   CYS  10           HA       CYS  10  -1.642  -2.852  -3.176
   77    HB2  CYS  10          2HB       CYS  10  -1.739  -4.046  -1.012
   78    HB3  CYS  10          1HB       CYS  10  -1.722  -5.584  -1.870
   79    H    LYS  11           HN       LYS  11  -1.499  -2.809  -5.290
   80    HA   LYS  11           HA       LYS  11  -0.801  -5.306  -6.682
   81    HB2  LYS  11          2HB       LYS  11  -2.998  -4.438  -7.364
   82    HB3  LYS  11          1HB       LYS  11  -2.286  -2.875  -7.695
   83    HG2  LYS  11          2HG       LYS  11  -1.001  -3.833  -9.528
   84    HG3  LYS  11          1HG       LYS  11  -1.685  -5.426  -9.175
   85    HD2  LYS  11          2HD       LYS  11  -3.925  -4.588  -9.634
   86    HD3  LYS  11          1HD       LYS  11  -3.283  -2.975  -9.923
   87    HE2  LYS  11          2HE       LYS  11  -3.741  -4.127 -12.022
   88    HE3  LYS  11          1HE       LYS  11  -2.023  -3.803 -11.825
   89    HZ1  LYS  11          1HZ       LYS  11  -2.413  -6.031 -12.666
   90    HZ2  LYS  11          2HZ       LYS  11  -3.358  -6.411 -11.326
   91    HZ3  LYS  11          3HZ       LYS  11  -1.719  -6.109 -11.137
   92    H    ASP  12           HN       ASP  12  -0.438  -1.798  -6.534
   93    HA   ASP  12           HA       ASP  12   1.844  -1.851  -8.239
   94    HB2  ASP  12          2HB       ASP  12   0.300   0.026  -8.337
   95    HB3  ASP  12          1HB       ASP  12   0.610   0.388  -6.644
   96    H    ARG  13           HN       ARG  13   3.919  -1.365  -7.691
   97    HA   ARG  13           HA       ARG  13   5.002  -2.634  -5.490
   98    HB2  ARG  13          2HB       ARG  13   6.189  -0.499  -7.204
   99    HB3  ARG  13          1HB       ARG  13   7.102  -1.419  -6.022
  100    HG2  ARG  13          2HG       ARG  13   6.532  -3.477  -7.266
  101    HG3  ARG  13          1HG       ARG  13   5.734  -2.469  -8.482
  102    HD2  ARG  13          2HD       ARG  13   8.039  -3.016  -9.126
  103    HD3  ARG  13          1HD       ARG  13   7.803  -1.281  -8.894
  104    HE   ARG  13           HE       ARG  13   8.762  -2.774  -6.611
  105   HH11  ARG  13          1HH1      ARG  13   9.635  -0.673  -9.322
  106   HH12  ARG  13          2HH1      ARG  13  11.142  -0.222  -8.661
  107   HH21  ARG  13          1HH2      ARG  13  10.824  -2.118  -5.711
  108   HH22  ARG  13          2HH2      ARG  13  11.809  -1.042  -6.569
  109    H    ARG  14           HN       ARG  14   4.023   0.757  -5.731
  110    HA   ARG  14           HA       ARG  14   5.493   1.748  -3.566
  111    HB2  ARG  14          2HB       ARG  14   2.828   2.599  -4.643
  112    HB3  ARG  14          1HB       ARG  14   3.782   3.524  -3.493
  113    HG2  ARG  14          2HG       ARG  14   5.500   3.877  -5.072
  114    HG3  ARG  14          1HG       ARG  14   4.786   2.717  -6.201
  115    HD2  ARG  14          2HD       ARG  14   2.805   4.165  -6.368
  116    HD3  ARG  14          1HD       ARG  14   3.599   5.338  -5.321
  117    HE   ARG  14           HE       ARG  14   5.154   5.758  -6.998
  118   HH11  ARG  14          1HH1      ARG  14   2.882   3.306  -8.123
  119   HH12  ARG  14          2HH1      ARG  14   2.837   3.870  -9.734
  120   HH21  ARG  14          1HH2      ARG  14   5.109   6.536  -9.264
  121   HH22  ARG  14          2HH2      ARG  14   4.084   5.750 -10.377
  122    H    CYS  15           HN       CYS  15   2.814  -0.393  -3.549
  123    HA   CYS  15           HA       CYS  15   2.103   0.357  -0.843
  124    HB2  CYS  15          2HB       CYS  15   0.909  -1.780  -2.610
  125    HB3  CYS  15          1HB       CYS  15   0.225  -1.147  -1.114
  126    H    LYS  16           HN       LYS  16   4.417  -1.547  -2.240
  127    HA   LYS  16           HA       LYS  16   4.153  -3.821  -0.500
  128    HB2  LYS  16          2HB       LYS  16   6.166  -3.137  -2.618
  129    HB3  LYS  16          1HB       LYS  16   6.401  -4.497  -1.533
  130    HG2  LYS  16          2HG       LYS  16   4.023  -4.136  -3.350
  131    HG3  LYS  16          1HG       LYS  16   5.427  -5.149  -3.704
  132    HD2  LYS  16          2HD       LYS  16   4.955  -6.459  -1.651
  133    HD3  LYS  16          1HD       LYS  16   3.511  -5.488  -1.386
  134    HE2  LYS  16          2HE       LYS  16   2.936  -7.601  -2.420
  135    HE3  LYS  16          1HE       LYS  16   2.597  -6.265  -3.515
  136    HZ1  LYS  16          1HZ       LYS  16   4.601  -6.770  -4.736
  137    HZ2  LYS  16          2HZ       LYS  16   3.677  -8.172  -4.604
  138    HZ3  LYS  16          3HZ       LYS  16   5.032  -7.965  -3.629
  139    HA   HYP  17           HA       HYP  17   7.936  -1.733   1.758
  140    HB2  HYP  17          1HB       HYP  17   8.609   0.253   0.673
  141    HB3  HYP  17          2HB       HYP  17   7.663   0.976   1.989
  142    HG   HYP  17           HG       HYP  17   5.713   1.046   0.677
  143   HD22  HYP  17          1HD1      HYP  17   7.326  -0.637  -1.272
  144   HD23  HYP  17          2HD1      HYP  17   5.563  -0.372  -1.291
  145    HD1  HYP  17          2HD       HYP  17   6.574   1.531  -1.481
  146    H    LEU  18           HN       LEU  18   4.655  -1.090   1.587
  147    HA   LEU  18           HA       LEU  18   4.356   0.093   4.207
  148    HB2  LEU  18          2HB       LEU  18   2.251  -0.757   2.239
  149    HB3  LEU  18          1HB       LEU  18   2.030   0.292   3.620
  150    HG   LEU  18           HG       LEU  18   3.587   0.950   1.108
  151   HD11  LEU  18          1HD1      LEU  18   1.825   2.556   0.723
  152   HD12  LEU  18          2HD1      LEU  18   1.032   2.063   2.217
  153   HD13  LEU  18          3HD1      LEU  18   1.147   0.930   0.876
  154   HD21  LEU  18          1HD2      LEU  18   4.633   1.993   3.062
  155   HD22  LEU  18          2HD2      LEU  18   3.072   2.636   3.566
  156   HD23  LEU  18          3HD2      LEU  18   3.814   3.197   2.069
  157    H    LYS  19           HN       LYS  19   3.848  -1.009   5.954
  158    HA   LYS  19           HA       LYS  19   3.925  -3.832   6.108
  159    HB2  LYS  19          2HB       LYS  19   2.926  -1.790   8.095
  160    HB3  LYS  19          1HB       LYS  19   3.187  -3.488   8.457
  161    HG2  LYS  19          2HG       LYS  19   5.549  -3.253   8.025
  162    HG3  LYS  19          1HG       LYS  19   5.317  -1.569   7.553
  163    HD2  LYS  19          2HD       LYS  19   4.575  -1.007   9.788
  164    HD3  LYS  19          1HD       LYS  19   4.670  -2.699  10.276
  165    HE2  LYS  19          2HE       LYS  19   7.003  -1.046   9.331
  166    HE3  LYS  19          1HE       LYS  19   6.599  -1.324  11.021
  167    HZ1  LYS  19          1HZ       LYS  19   8.305  -2.836  10.253
  168    HZ2  LYS  19          2HZ       LYS  19   7.286  -3.440   9.051
  169    HZ3  LYS  19          3HZ       LYS  19   6.911  -3.674  10.680
  170    H    CYS  20           HN       CYS  20   1.423  -1.611   5.549
  171    HA   CYS  20           HA       CYS  20  -0.827  -3.124   6.301
  172    HB2  CYS  20          2HB       CYS  20  -0.770  -0.657   5.840
  173    HB3  CYS  20          1HB       CYS  20  -0.649  -1.032   4.128
  174    H    CYS  21           HN       CYS  21   1.378  -3.522   3.746
  175    HA   CYS  21           HA       CYS  21  -0.400  -5.491   2.501
  176    HB2  CYS  21          2HB       CYS  21   0.061  -3.666   0.886
  177    HB3  CYS  21          1HB       CYS  21   1.778  -3.870   1.168
  178    H    ALA  22           HN       ALA  22   3.022  -4.581   3.039
  179    HA   ALA  22           HA       ALA  22   3.584  -7.373   3.591
  180    HB1  ALA  22          2HB       ALA  22   5.238  -5.555   1.836
  181    HB2  ALA  22          3HB       ALA  22   4.273  -6.924   1.283
  182    HB3  ALA  22          1HB       ALA  22   5.665  -7.193   2.332
  183    HN1  NH2  23          2H        ALA  22   4.864  -5.945   6.480
  184    HN2  NH2  23          1H        ALA  22   3.748  -7.019   5.719
  Start of MODEL    7
    1    H1   ARG   1          1HT       ARG   1  -0.200   8.885  -2.531
    2    H2   ARG   1          2HT       ARG   1  -1.073   9.709  -1.363
    3    H3   ARG   1          3HT       ARG   1  -1.323  10.057  -2.989
    4    HA   ARG   1           HA       ARG   1  -3.101   8.646  -2.075
    5    HB2  ARG   1          2HB       ARG   1  -2.354   8.324  -4.462
    6    HB3  ARG   1          1HB       ARG   1  -1.246   7.083  -3.902
    7    HG2  ARG   1          2HG       ARG   1  -3.208   5.805  -3.048
    8    HG3  ARG   1          1HG       ARG   1  -4.247   7.005  -3.818
    9    HD2  ARG   1          2HD       ARG   1  -2.223   5.257  -5.207
   10    HD3  ARG   1          1HD       ARG   1  -3.969   5.032  -5.231
   11    HE   ARG   1           HE       ARG   1  -3.252   7.613  -6.160
   12   HH11  ARG   1          1HH1      ARG   1  -3.363   4.244  -7.200
   13   HH12  ARG   1          2HH1      ARG   1  -3.473   4.599  -8.857
   14   HH21  ARG   1          1HH2      ARG   1  -3.400   8.117  -8.405
   15   HH22  ARG   1          2HH2      ARG   1  -3.494   6.879  -9.569
   16    H    ASP   2           HN       ASP   2  -3.528   7.269  -0.404
   17    HA   ASP   2           HA       ASP   2  -1.253   5.858   0.730
   18    HB2  ASP   2          2HB       ASP   2  -2.624   7.163   2.281
   19    HB3  ASP   2          1HB       ASP   2  -4.039   6.201   1.851
   20    H    CYS   3           HN       CYS   3  -0.943   3.763   0.552
   21    HA   CYS   3           HA       CYS   3  -2.813   2.222  -1.065
   22    HB2  CYS   3          2HB       CYS   3  -0.080   1.514  -0.030
   23    HB3  CYS   3          1HB       CYS   3  -1.025   0.607  -1.214
   24    H    CYS   4           HN       CYS   4  -2.601   2.730   2.208
   25    HA   CYS   4           HA       CYS   4  -2.989  -0.102   2.867
   26    HB2  CYS   4          2HB       CYS   4  -2.305   2.222   4.671
   27    HB3  CYS   4          1HB       CYS   4  -2.380   0.517   5.117
   28    H    THR   5           HN       THR   5  -4.722   2.574   2.182
   29    HA   THR   5           HA       THR   5  -6.624   2.417   4.272
   30    HB   THR   5           HB       THR   5  -7.099   3.620   1.548
   31    HG1  THR   5          1HG       THR   5  -5.125   4.309   3.154
   32   HG21  THR   5          1HG2      THR   5  -8.653   5.046   2.791
   33   HG22  THR   5          2HG2      THR   5  -8.140   4.260   4.295
   34   HG23  THR   5          3HG2      THR   5  -9.004   3.331   3.085
   35    HA   HYP   6           HA       HYP   6  -8.493  -1.234   2.443
   36    HB2  HYP   6          1HB       HYP   6  -9.342  -2.234   4.333
   37    HB3  HYP   6          2HB       HYP   6 -10.556  -0.960   4.529
   38    HG   HYP   6           HG       HYP   6  -9.012  -0.604   6.370
   39   HD22  HYP   6          1HD1      HYP   6  -7.714   1.379   5.368
   40   HD23  HYP   6          2HD1      HYP   6  -9.465   1.400   5.001
   41    HD1  HYP   6          2HD       HYP   6  -6.816  -0.278   4.961
   42    HA   HYP   7           HA       HYP   7  -9.824  -2.733   1.605
   43    HB2  HYP   7          1HB       HYP   7 -11.437  -3.680   0.287
   44    HB3  HYP   7          2HB       HYP   7 -10.680  -2.915  -1.114
   45    HG   HYP   7           HG       HYP   7 -12.709  -1.773  -1.185
   46   HD22  HYP   7          1HD1      HYP   7 -12.437   0.201   0.611
   47   HD23  HYP   7          2HD1      HYP   7 -11.200   0.042  -0.664
   48    HD1  HYP   7          2HD       HYP   7 -14.064  -1.811   0.317
   49    H    LYS   8           HN       LYS   8  -7.768  -2.672   1.444
   50    HA   LYS   8           HA       LYS   8  -6.488  -0.912  -0.403
   51    HB2  LYS   8          2HB       LYS   8  -4.407  -1.842   0.805
   52    HB3  LYS   8          1HB       LYS   8  -5.497  -0.756   1.658
   53    HG2  LYS   8          2HG       LYS   8  -6.526  -2.530   2.760
   54    HG3  LYS   8          1HG       LYS   8  -5.609  -3.741   1.836
   55    HD2  LYS   8          2HD       LYS   8  -3.563  -2.850   2.900
   56    HD3  LYS   8          1HD       LYS   8  -4.539  -1.660   3.760
   57    HE2  LYS   8          2HE       LYS   8  -4.745  -4.656   4.071
   58    HE3  LYS   8          1HE       LYS   8  -3.899  -3.576   5.173
   59    HZ1  LYS   8          1HZ       LYS   8  -6.099  -2.441   5.517
   60    HZ2  LYS   8          2HZ       LYS   8  -5.992  -3.991   6.109
   61    HZ3  LYS   8          3HZ       LYS   8  -6.828  -3.712   4.669
   62    H    LYS   9           HN       LYS   9  -5.318  -1.389  -2.047
   63    HA   LYS   9           HA       LYS   9  -4.999  -4.195  -2.828
   64    HB2  LYS   9          2HB       LYS   9  -5.588  -1.807  -4.592
   65    HB3  LYS   9          1HB       LYS   9  -5.181  -3.405  -5.179
   66    HG2  LYS   9          2HG       LYS   9  -7.240  -4.286  -4.195
   67    HG3  LYS   9          1HG       LYS   9  -7.644  -2.669  -3.604
   68    HD2  LYS   9          2HD       LYS   9  -7.711  -1.823  -5.882
   69    HD3  LYS   9          1HD       LYS   9  -7.212  -3.392  -6.504
   70    HE2  LYS   9          2HE       LYS   9  -9.603  -3.089  -6.802
   71    HE3  LYS   9          1HE       LYS   9  -9.296  -4.377  -5.643
   72    HZ1  LYS   9          1HZ       LYS   9  -9.982  -1.586  -4.921
   73    HZ2  LYS   9          2HZ       LYS   9  -9.867  -2.894  -3.851
   74    HZ3  LYS   9          3HZ       LYS   9 -11.084  -2.836  -5.011
   75    H    CYS  10           HN       CYS  10  -2.908  -4.636  -2.912
   76    HA   CYS  10           HA       CYS  10  -0.970  -2.507  -3.204
   77    HB2  CYS  10          2HB       CYS  10  -0.493  -5.496  -2.998
   78    HB3  CYS  10          1HB       CYS  10   0.712  -4.228  -2.832
   79    H    LYS  11           HN       LYS  11  -1.469  -1.847  -5.332
   80    HA   LYS  11           HA       LYS  11  -0.995  -3.815  -7.436
   81    HB2  LYS  11          2HB       LYS  11  -3.014  -2.389  -7.610
   82    HB3  LYS  11          1HB       LYS  11  -1.988  -0.965  -7.642
   83    HG2  LYS  11          2HG       LYS  11  -2.721  -1.468  -9.874
   84    HG3  LYS  11          1HG       LYS  11  -0.988  -1.768  -9.751
   85    HD2  LYS  11          2HD       LYS  11  -1.427  -4.170  -9.493
   86    HD3  LYS  11          1HD       LYS  11  -3.159  -3.859  -9.605
   87    HE2  LYS  11          2HE       LYS  11  -1.125  -3.288 -11.762
   88    HE3  LYS  11          1HE       LYS  11  -2.230  -4.659 -11.732
   89    HZ1  LYS  11          1HZ       LYS  11  -3.060  -2.900 -13.143
   90    HZ2  LYS  11          2HZ       LYS  11  -3.015  -1.796 -11.888
   91    HZ3  LYS  11          3HZ       LYS  11  -4.084  -3.091 -11.826
   92    H    ASP  12           HN       ASP  12  -0.022  -0.517  -6.536
   93    HA   ASP  12           HA       ASP  12   2.228  -0.728  -8.332
   94    HB2  ASP  12          2HB       ASP  12   1.004   1.460  -7.987
   95    HB3  ASP  12          1HB       ASP  12   1.680   1.511  -6.362
   96    H    ARG  13           HN       ARG  13   4.337  -0.690  -7.713
   97    HA   ARG  13           HA       ARG  13   4.938  -2.443  -5.592
   98    HB2  ARG  13          2HB       ARG  13   6.668  -0.861  -7.472
   99    HB3  ARG  13          1HB       ARG  13   7.332  -1.866  -6.197
  100    HG2  ARG  13          2HG       ARG  13   7.364  -3.019  -8.354
  101    HG3  ARG  13          1HG       ARG  13   6.323  -3.846  -7.205
  102    HD2  ARG  13          2HD       ARG  13   5.352  -3.758  -9.459
  103    HD3  ARG  13          1HD       ARG  13   4.364  -2.911  -8.276
  104    HE   ARG  13           HE       ARG  13   6.229  -1.240  -9.711
  105   HH11  ARG  13          1HH1      ARG  13   2.946  -2.598  -9.722
  106   HH12  ARG  13          2HH1      ARG  13   2.276  -1.371 -10.676
  107   HH21  ARG  13          1HH2      ARG  13   5.333   0.448 -11.002
  108   HH22  ARG  13          2HH2      ARG  13   3.685   0.453 -11.431
  109    H    ARG  14           HN       ARG  14   4.786   0.988  -5.802
  110    HA   ARG  14           HA       ARG  14   6.491   1.622  -3.631
  111    HB2  ARG  14          2HB       ARG  14   5.419   3.800  -3.624
  112    HB3  ARG  14          1HB       ARG  14   5.703   3.297  -5.283
  113    HG2  ARG  14          2HG       ARG  14   3.324   2.537  -5.360
  114    HG3  ARG  14          1HG       ARG  14   3.094   3.305  -3.789
  115    HD2  ARG  14          2HD       ARG  14   3.786   5.448  -4.754
  116    HD3  ARG  14          1HD       ARG  14   4.026   4.644  -6.305
  117    HE   ARG  14           HE       ARG  14   1.423   4.175  -5.386
  118   HH11  ARG  14          1HH1      ARG  14   3.380   6.758  -6.790
  119   HH12  ARG  14          2HH1      ARG  14   2.054   7.580  -7.474
  120   HH21  ARG  14          1HH2      ARG  14  -0.361   5.250  -6.354
  121   HH22  ARG  14          2HH2      ARG  14  -0.118   6.702  -7.244
  122    H    CYS  15           HN       CYS  15   3.422   0.172  -3.782
  123    HA   CYS  15           HA       CYS  15   2.611   0.956  -1.128
  124    HB2  CYS  15          2HB       CYS  15   1.417  -1.076  -3.007
  125    HB3  CYS  15          1HB       CYS  15   0.650  -0.369  -1.592
  126    H    LYS  16           HN       LYS  16   4.750  -1.248  -2.404
  127    HA   LYS  16           HA       LYS  16   3.905  -3.557  -0.909
  128    HB2  LYS  16          2HB       LYS  16   4.893  -3.859  -3.133
  129    HB3  LYS  16          1HB       LYS  16   6.409  -3.174  -2.569
  130    HG2  LYS  16          2HG       LYS  16   6.612  -5.059  -0.966
  131    HG3  LYS  16          1HG       LYS  16   5.152  -5.759  -1.657
  132    HD2  LYS  16          2HD       LYS  16   7.724  -5.211  -3.149
  133    HD3  LYS  16          1HD       LYS  16   7.189  -6.787  -2.576
  134    HE2  LYS  16          2HE       LYS  16   5.194  -6.589  -4.036
  135    HE3  LYS  16          1HE       LYS  16   5.827  -5.061  -4.647
  136    HZ1  LYS  16          1HZ       LYS  16   7.123  -7.710  -4.887
  137    HZ2  LYS  16          2HZ       LYS  16   7.791  -6.265  -5.422
  138    HZ3  LYS  16          3HZ       LYS  16   6.377  -6.852  -6.138
  139    HA   HYP  17           HA       HYP  17   7.929  -2.392   1.712
  140    HB2  HYP  17          1HB       HYP  17   9.050  -0.549   0.822
  141    HB3  HYP  17          2HB       HYP  17   8.150   0.330   2.074
  142    HG   HYP  17           HG       HYP  17   6.386   0.823   0.589
  143   HD22  HYP  17          1HD1      HYP  17   7.768  -1.152  -1.255
  144   HD23  HYP  17          2HD1      HYP  17   6.110  -0.515  -1.407
  145    HD1  HYP  17          2HD       HYP  17   7.212   1.495  -1.245
  146    H    LEU  18           HN       LEU  18   4.850  -0.980   1.492
  147    HA   LEU  18           HA       LEU  18   4.652  -0.042   4.198
  148    HB2  LEU  18          2HB       LEU  18   2.524  -0.435   2.112
  149    HB3  LEU  18          1HB       LEU  18   2.359   0.467   3.600
  150    HG   LEU  18           HG       LEU  18   4.145   1.238   1.281
  151   HD11  LEU  18          1HD1      LEU  18   1.500   2.313   2.230
  152   HD12  LEU  18          2HD1      LEU  18   1.797   1.412   0.742
  153   HD13  LEU  18          3HD1      LEU  18   2.504   3.016   0.965
  154   HD21  LEU  18          1HD2      LEU  18   4.360   3.352   2.455
  155   HD22  LEU  18          2HD2      LEU  18   4.983   2.030   3.454
  156   HD23  LEU  18          3HD2      LEU  18   3.388   2.726   3.784
  157    H    LYS  19           HN       LYS  19   4.473  -1.543   5.758
  158    HA   LYS  19           HA       LYS  19   3.590  -4.194   5.263
  159    HB2  LYS  19          2HB       LYS  19   3.758  -4.520   7.684
  160    HB3  LYS  19          1HB       LYS  19   5.196  -3.743   7.045
  161    HG2  LYS  19          2HG       LYS  19   4.334  -1.573   7.873
  162    HG3  LYS  19          1HG       LYS  19   2.956  -2.425   8.568
  163    HD2  LYS  19          2HD       LYS  19   5.859  -2.890   9.282
  164    HD3  LYS  19          1HD       LYS  19   4.693  -1.985  10.247
  165    HE2  LYS  19          2HE       LYS  19   3.334  -4.027  10.491
  166    HE3  LYS  19          1HE       LYS  19   4.521  -4.909   9.532
  167    HZ1  LYS  19          1HZ       LYS  19   5.091  -3.597  12.127
  168    HZ2  LYS  19          2HZ       LYS  19   6.162  -4.550  11.227
  169    HZ3  LYS  19          3HZ       LYS  19   4.784  -5.239  11.909
  170    H    CYS  20           HN       CYS  20   1.980  -1.302   5.862
  171    HA   CYS  20           HA       CYS  20  -0.380  -2.493   6.944
  172    HB2  CYS  20          2HB       CYS  20  -1.334  -0.177   6.642
  173    HB3  CYS  20          1HB       CYS  20   0.058  -0.300   7.693
  174    H    CYS  21           HN       CYS  21   0.915  -2.373   3.826
  175    HA   CYS  21           HA       CYS  21  -1.569  -1.994   2.406
  176    HB2  CYS  21          2HB       CYS  21   0.811  -1.562   1.410
  177    HB3  CYS  21          1HB       CYS  21   0.944  -3.299   1.351
  178    H    ALA  22           HN       ALA  22   0.354  -4.621   3.607
  179    HA   ALA  22           HA       ALA  22  -1.570  -6.552   2.571
  180    HB1  ALA  22          2HB       ALA  22   0.131  -8.246   3.147
  181    HB2  ALA  22          3HB       ALA  22   1.168  -6.964   3.776
  182    HB3  ALA  22          1HB       ALA  22   0.778  -7.013   2.061
  183    HN1  NH2  23          2H        ALA  22  -0.885  -6.893   6.572
  184    HN2  NH2  23          1H        ALA  22   0.423  -6.754   5.453
  Start of MODEL    8
    1    H1   ARG   1          1HT       ARG   1  -4.336  11.512  -0.475
    2    H2   ARG   1          2HT       ARG   1  -2.830  10.772  -0.806
    3    H3   ARG   1          3HT       ARG   1  -3.315  11.046   0.770
    4    HA   ARG   1           HA       ARG   1  -5.047   9.526   0.672
    5    HB2  ARG   1          2HB       ARG   1  -5.341   8.066  -1.252
    6    HB3  ARG   1          1HB       ARG   1  -5.634   9.740  -1.732
    7    HG2  ARG   1          2HG       ARG   1  -3.374   9.792  -2.712
    8    HG3  ARG   1          1HG       ARG   1  -3.147   8.106  -2.246
    9    HD2  ARG   1          2HD       ARG   1  -5.141   7.550  -3.643
   10    HD3  ARG   1          1HD       ARG   1  -5.150   9.226  -4.193
   11    HE   ARG   1           HE       ARG   1  -2.664   7.780  -4.530
   12   HH11  ARG   1          1HH1      ARG   1  -5.614   9.011  -6.072
   13   HH12  ARG   1          2HH1      ARG   1  -5.068   8.718  -7.653
   14   HH21  ARG   1          1HH2      ARG   1  -1.941   7.322  -6.743
   15   HH22  ARG   1          2HH2      ARG   1  -2.968   7.708  -8.029
   16    H    ASP   2           HN       ASP   2  -4.593   7.466   1.358
   17    HA   ASP   2           HA       ASP   2  -1.771   6.703   1.235
   18    HB2  ASP   2          2HB       ASP   2  -3.897   6.051   3.295
   19    HB3  ASP   2          1HB       ASP   2  -2.337   5.249   3.229
   20    H    CYS   3           HN       CYS   3  -1.295   4.679   0.599
   21    HA   CYS   3           HA       CYS   3  -3.240   3.332  -1.010
   22    HB2  CYS   3          2HB       CYS   3  -0.858   3.381  -1.653
   23    HB3  CYS   3          1HB       CYS   3  -0.449   2.466  -0.206
   24    H    CYS   4           HN       CYS   4  -2.376   3.242   2.251
   25    HA   CYS   4           HA       CYS   4  -3.043   0.535   2.837
   26    HB2  CYS   4          2HB       CYS   4  -2.769   2.934   4.648
   27    HB3  CYS   4          1HB       CYS   4  -2.861   1.258   5.179
   28    H    THR   5           HN       THR   5  -4.863   3.362   2.209
   29    HA   THR   5           HA       THR   5  -7.027   2.925   3.909
   30    HB   THR   5           HB       THR   5  -7.007   4.293   1.206
   31    HG1  THR   5          1HG       THR   5  -6.193   5.067   3.805
   32   HG21  THR   5          1HG2      THR   5  -8.702   4.686   3.676
   33   HG22  THR   5          2HG2      THR   5  -9.219   3.860   2.218
   34   HG23  THR   5          3HG2      THR   5  -8.860   5.597   2.165
   35    HA   HYP   6           HA       HYP   6  -8.311  -0.748   1.685
   36    HB2  HYP   6          1HB       HYP   6  -9.262  -1.855   3.438
   37    HB3  HYP   6          2HB       HYP   6 -10.690  -0.810   3.360
   38    HG   HYP   6           HG       HYP   6  -9.676  -0.184   5.469
   39   HD22  HYP   6          1HD1      HYP   6  -8.405   1.934   4.720
   40   HD23  HYP   6          2HD1      HYP   6 -10.005   1.737   3.947
   41    HD1  HYP   6          2HD       HYP   6  -7.272   0.237   4.323
   42    HA   HYP   7           HA       HYP   7  -9.327  -2.244   0.488
   43    HB2  HYP   7          1HB       HYP   7 -10.524  -3.127  -1.235
   44    HB3  HYP   7          2HB       HYP   7  -9.560  -2.164  -2.359
   45    HG   HYP   7           HG       HYP   7 -11.624  -1.145  -2.747
   46   HD22  HYP   7          1HD1      HYP   7 -11.878   0.642  -0.768
   47   HD23  HYP   7          2HD1      HYP   7 -10.382   0.669  -1.735
   48    HD1  HYP   7          2HD       HYP   7 -12.746  -0.987  -0.404
   49    H    LYS   8           HN       LYS   8  -7.234  -2.543   0.342
   50    HA   LYS   8           HA       LYS   8  -5.502  -0.395  -0.192
   51    HB2  LYS   8          2HB       LYS   8  -4.808  -3.311   0.121
   52    HB3  LYS   8          1HB       LYS   8  -3.695  -1.957   0.276
   53    HG2  LYS   8          2HG       LYS   8  -5.137  -1.130   2.181
   54    HG3  LYS   8          1HG       LYS   8  -6.017  -2.633   2.023
   55    HD2  LYS   8          2HD       LYS   8  -3.051  -2.531   2.563
   56    HD3  LYS   8          1HD       LYS   8  -4.274  -2.699   3.817
   57    HE2  LYS   8          2HE       LYS   8  -3.850  -4.625   1.518
   58    HE3  LYS   8          1HE       LYS   8  -3.280  -4.860   3.164
   59    HZ1  LYS   8          1HZ       LYS   8  -5.326  -6.057   2.765
   60    HZ2  LYS   8          2HZ       LYS   8  -6.137  -4.651   2.354
   61    HZ3  LYS   8          3HZ       LYS   8  -5.566  -4.867   3.924
   62    H    LYS   9           HN       LYS   9  -3.993  -0.081  -1.768
   63    HA   LYS   9           HA       LYS   9  -4.835  -1.034  -4.405
   64    HB2  LYS   9          2HB       LYS   9  -2.840   1.123  -3.726
   65    HB3  LYS   9          1HB       LYS   9  -3.687   0.881  -5.245
   66    HG2  LYS   9          2HG       LYS   9  -5.777   1.536  -4.222
   67    HG3  LYS   9          1HG       LYS   9  -4.982   1.684  -2.652
   68    HD2  LYS   9          2HD       LYS   9  -3.506   3.425  -3.603
   69    HD3  LYS   9          1HD       LYS   9  -4.392   3.313  -5.122
   70    HE2  LYS   9          2HE       LYS   9  -5.511   4.140  -2.443
   71    HE3  LYS   9          1HE       LYS   9  -5.178   5.200  -3.807
   72    HZ1  LYS   9          1HZ       LYS   9  -7.506   4.698  -3.782
   73    HZ2  LYS   9          2HZ       LYS   9  -7.227   3.074  -3.633
   74    HZ3  LYS   9          3HZ       LYS   9  -6.836   3.853  -5.081
   75    H    CYS  10           HN       CYS  10  -3.437  -2.912  -2.869
   76    HA   CYS  10           HA       CYS  10  -0.627  -2.945  -3.171
   77    HB2  CYS  10          2HB       CYS  10  -2.546  -5.202  -2.627
   78    HB3  CYS  10          1HB       CYS  10  -0.797  -5.321  -2.498
   79    H    LYS  11           HN       LYS  11  -2.233  -2.736  -5.742
   80    HA   LYS  11           HA       LYS  11  -1.341  -5.051  -7.245
   81    HB2  LYS  11          2HB       LYS  11  -2.751  -2.510  -8.072
   82    HB3  LYS  11          1HB       LYS  11  -2.294  -3.781  -9.197
   83    HG2  LYS  11          2HG       LYS  11  -4.138  -4.160  -6.855
   84    HG3  LYS  11          1HG       LYS  11  -4.677  -3.825  -8.501
   85    HD2  LYS  11          2HD       LYS  11  -3.595  -5.877  -9.275
   86    HD3  LYS  11          1HD       LYS  11  -3.034  -6.213  -7.637
   87    HE2  LYS  11          2HE       LYS  11  -5.340  -6.377  -6.867
   88    HE3  LYS  11          1HE       LYS  11  -5.912  -5.969  -8.481
   89    HZ1  LYS  11          1HZ       LYS  11  -4.940  -7.981  -9.319
   90    HZ2  LYS  11          2HZ       LYS  11  -5.999  -8.353  -8.080
   91    HZ3  LYS  11          3HZ       LYS  11  -4.333  -8.400  -7.808
   92    H    ASP  12           HN       ASP  12  -0.237  -1.980  -6.321
   93    HA   ASP  12           HA       ASP  12   1.823  -1.978  -8.408
   94    HB2  ASP  12          2HB       ASP  12   0.456   0.098  -8.113
   95    HB3  ASP  12          1HB       ASP  12   1.089   0.220  -6.474
   96    H    ARG  13           HN       ARG  13   3.930  -2.039  -7.857
   97    HA   ARG  13           HA       ARG  13   4.760  -3.465  -5.623
   98    HB2  ARG  13          2HB       ARG  13   7.021  -2.856  -6.229
   99    HB3  ARG  13          1HB       ARG  13   6.094  -3.394  -7.631
  100    HG2  ARG  13          2HG       ARG  13   5.770  -1.024  -8.280
  101    HG3  ARG  13          1HG       ARG  13   6.725  -0.535  -6.890
  102    HD2  ARG  13          2HD       ARG  13   7.742  -2.305  -9.092
  103    HD3  ARG  13          1HD       ARG  13   7.966  -0.558  -9.049
  104    HE   ARG  13           HE       ARG  13   8.883  -1.684  -6.653
  105   HH11  ARG  13          1HH1      ARG  13   9.709  -1.731 -10.071
  106   HH12  ARG  13          2HH1      ARG  13  11.400  -1.715  -9.842
  107   HH21  ARG  13          1HH2      ARG  13  11.251  -1.759  -6.296
  108   HH22  ARG  13          2HH2      ARG  13  12.292  -1.752  -7.635
  109    H    ARG  14           HN       ARG  14   4.375  -0.010  -5.988
  110    HA   ARG  14           HA       ARG  14   6.090   0.737  -3.866
  111    HB2  ARG  14          2HB       ARG  14   3.837   2.153  -5.251
  112    HB3  ARG  14          1HB       ARG  14   4.771   2.897  -3.960
  113    HG2  ARG  14          2HG       ARG  14   6.754   2.856  -5.229
  114    HG3  ARG  14          1HG       ARG  14   6.056   1.750  -6.414
  115    HD2  ARG  14          2HD       ARG  14   5.043   4.533  -5.915
  116    HD3  ARG  14          1HD       ARG  14   6.215   4.124  -7.171
  117    HE   ARG  14           HE       ARG  14   4.070   2.408  -7.464
  118   HH11  ARG  14          1HH1      ARG  14   4.458   5.935  -7.578
  119   HH12  ARG  14          2HH1      ARG  14   3.415   6.159  -8.884
  120   HH21  ARG  14          1HH2      ARG  14   2.626   2.697  -9.236
  121   HH22  ARG  14          2HH2      ARG  14   2.307   4.256  -9.863
  122    H    CYS  15           HN       CYS  15   3.033  -0.705  -3.862
  123    HA   CYS  15           HA       CYS  15   2.450   0.305  -1.213
  124    HB2  CYS  15          2HB       CYS  15   0.881  -1.415  -3.104
  125    HB3  CYS  15          1HB       CYS  15   0.331  -0.982  -1.485
  126    H    LYS  16           HN       LYS  16   4.299  -2.141  -2.452
  127    HA   LYS  16           HA       LYS  16   3.440  -4.138  -0.553
  128    HB2  LYS  16          2HB       LYS  16   4.223  -4.905  -2.749
  129    HB3  LYS  16          1HB       LYS  16   5.811  -4.217  -2.439
  130    HG2  LYS  16          2HG       LYS  16   6.137  -5.761  -0.591
  131    HG3  LYS  16          1HG       LYS  16   4.537  -6.447  -0.861
  132    HD2  LYS  16          2HD       LYS  16   5.240  -7.214  -3.069
  133    HD3  LYS  16          1HD       LYS  16   6.820  -6.466  -2.820
  134    HE2  LYS  16          2HE       LYS  16   5.666  -8.671  -1.119
  135    HE3  LYS  16          1HE       LYS  16   6.853  -8.899  -2.403
  136    HZ1  LYS  16          1HZ       LYS  16   7.284  -7.236   0.031
  137    HZ2  LYS  16          2HZ       LYS  16   8.399  -7.540  -1.185
  138    HZ3  LYS  16          3HZ       LYS  16   7.888  -8.788  -0.207
  139    HA   HYP  17           HA       HYP  17   7.665  -2.678   1.615
  140    HB2  HYP  17          1HB       HYP  17   8.718  -0.955   0.419
  141    HB3  HYP  17          2HB       HYP  17   7.825   0.092   1.541
  142    HG   HYP  17           HG       HYP  17   5.998   0.271   0.066
  143   HD22  HYP  17          1HD1      HYP  17   7.404  -1.956  -1.440
  144   HD23  HYP  17          2HD1      HYP  17   5.738  -1.372  -1.700
  145    HD1  HYP  17          2HD       HYP  17   6.670   0.805  -1.779
  146    H    LEU  18           HN       LEU  18   4.542  -1.342   1.340
  147    HA   LEU  18           HA       LEU  18   4.463   0.037   3.839
  148    HB2  LEU  18          2HB       LEU  18   2.254  -0.771   1.958
  149    HB3  LEU  18          1HB       LEU  18   2.071   0.308   3.322
  150    HG   LEU  18           HG       LEU  18   3.697   0.841   0.832
  151   HD11  LEU  18          1HD1      LEU  18   1.149   2.080   1.850
  152   HD12  LEU  18          2HD1      LEU  18   1.287   0.966   0.495
  153   HD13  LEU  18          3HD1      LEU  18   2.031   2.564   0.401
  154   HD21  LEU  18          1HD2      LEU  18   4.009   3.098   1.761
  155   HD22  LEU  18          2HD2      LEU  18   4.764   1.867   2.768
  156   HD23  LEU  18          3HD2      LEU  18   3.227   2.584   3.257
  157    H    LYS  19           HN       LYS  19   4.114  -0.810   5.695
  158    HA   LYS  19           HA       LYS  19   3.949  -3.581   6.134
  159    HB2  LYS  19          2HB       LYS  19   3.786  -3.007   8.496
  160    HB3  LYS  19          1HB       LYS  19   5.062  -2.101   7.697
  161    HG2  LYS  19          2HG       LYS  19   3.581  -0.150   7.601
  162    HG3  LYS  19          1HG       LYS  19   2.323  -1.069   8.428
  163    HD2  LYS  19          2HD       LYS  19   3.426   0.317  10.030
  164    HD3  LYS  19          1HD       LYS  19   3.908  -1.351  10.334
  165    HE2  LYS  19          2HE       LYS  19   6.022  -0.967   9.170
  166    HE3  LYS  19          1HE       LYS  19   5.531   0.685   8.801
  167    HZ1  LYS  19          1HZ       LYS  19   5.995  -0.448  11.502
  168    HZ2  LYS  19          2HZ       LYS  19   5.455   1.118  11.191
  169    HZ3  LYS  19          3HZ       LYS  19   6.987   0.650  10.697
  170    H    CYS  20           HN       CYS  20   1.512  -1.248   5.649
  171    HA   CYS  20           HA       CYS  20  -0.623  -2.549   6.994
  172    HB2  CYS  20          2HB       CYS  20  -2.057  -1.075   5.586
  173    HB3  CYS  20          1HB       CYS  20  -0.780  -0.195   6.425
  174    H    CYS  21           HN       CYS  21   0.951  -2.973   3.940
  175    HA   CYS  21           HA       CYS  21  -1.161  -4.756   3.006
  176    HB2  CYS  21          2HB       CYS  21  -0.222  -3.004   1.430
  177    HB3  CYS  21          1HB       CYS  21   1.325  -3.820   1.555
  178    H    ALA  22           HN       ALA  22   2.309  -4.579   3.653
  179    HA   ALA  22           HA       ALA  22   2.401  -7.489   3.692
  180    HB1  ALA  22          2HB       ALA  22   3.915  -6.445   2.095
  181    HB2  ALA  22          3HB       ALA  22   4.814  -7.231   3.394
  182    HB3  ALA  22          1HB       ALA  22   4.623  -5.479   3.392
  183    HN1  NH2  23          2H        ALA  22   2.571  -7.331   7.147
  184    HN2  NH2  23          1H        ALA  22   1.787  -7.915   5.716
  Start of MODEL    9
    1    H1   ARG   1          1HT       ARG   1  -2.380  11.543   2.180
    2    H2   ARG   1          2HT       ARG   1  -2.409  12.452   0.749
    3    H3   ARG   1          3HT       ARG   1  -1.172  11.318   1.050
    4    HA   ARG   1           HA       ARG   1  -3.980  10.569   0.855
    5    HB2  ARG   1          2HB       ARG   1  -3.456   9.619  -1.353
    6    HB3  ARG   1          1HB       ARG   1  -3.194  11.349  -1.357
    7    HG2  ARG   1          2HG       ARG   1  -0.798  11.016  -1.208
    8    HG3  ARG   1          1HG       ARG   1  -1.029   9.270  -1.109
    9    HD2  ARG   1          2HD       ARG   1  -2.089   9.314  -3.338
   10    HD3  ARG   1          1HD       ARG   1  -1.775  11.046  -3.434
   11    HE   ARG   1           HE       ARG   1   0.623   9.816  -2.873
   12   HH11  ARG   1          1HH1      ARG   1  -1.696   9.867  -5.567
   13   HH12  ARG   1          2HH1      ARG   1  -0.553   9.476  -6.752
   14   HH21  ARG   1          1HH2      ARG   1   2.205   9.258  -4.526
   15   HH22  ARG   1          2HH2      ARG   1   1.716   9.124  -6.156
   16    H    ASP   2           HN       ASP   2  -4.305   8.386   1.203
   17    HA   ASP   2           HA       ASP   2  -1.962   7.058   2.351
   18    HB2  ASP   2          2HB       ASP   2  -3.444   7.721   4.097
   19    HB3  ASP   2          1HB       ASP   2  -4.832   7.036   3.257
   20    H    CYS   3           HN       CYS   3  -1.400   5.285   1.461
   21    HA   CYS   3           HA       CYS   3  -2.688   4.211  -0.818
   22    HB2  CYS   3          2HB       CYS   3  -0.262   4.149  -0.547
   23    HB3  CYS   3          1HB       CYS   3  -0.421   3.129   0.870
   24    H    CYS   4           HN       CYS   4  -2.976   3.525   2.546
   25    HA   CYS   4           HA       CYS   4  -3.920   0.823   2.166
   26    HB2  CYS   4          2HB       CYS   4  -3.758   2.511   4.651
   27    HB3  CYS   4          1HB       CYS   4  -4.017   0.766   4.578
   28    H    THR   5           HN       THR   5  -5.279   3.792   1.813
   29    HA   THR   5           HA       THR   5  -7.726   3.307   3.135
   30    HB   THR   5           HB       THR   5  -7.116   5.327   0.953
   31    HG1  THR   5          1HG       THR   5  -5.927   5.220   3.170
   32   HG21  THR   5          1HG2      THR   5  -9.517   4.954   1.330
   33   HG22  THR   5          2HG2      THR   5  -9.038   6.550   1.931
   34   HG23  THR   5          3HG2      THR   5  -9.285   5.203   3.055
   35    HA   HYP   6           HA       HYP   6  -8.959   0.169   0.247
   36    HB2  HYP   6          1HB       HYP   6 -10.619  -0.829   1.452
   37    HB3  HYP   6          2HB       HYP   6 -11.705   0.547   1.204
   38    HG   HYP   6           HG       HYP   6 -11.148   0.645   3.570
   39   HD22  HYP   6          1HD1      HYP   6  -9.417   2.547   3.455
   40   HD23  HYP   6          2HD1      HYP   6 -10.775   2.752   2.312
   41    HD1  HYP   6          2HD       HYP   6  -8.503   0.665   2.961
   42    HA   HYP   7           HA       HYP   7  -9.835  -1.120  -1.220
   43    HB2  HYP   7          1HB       HYP   7 -10.732  -1.649  -3.243
   44    HB3  HYP   7          2HB       HYP   7  -9.148  -1.218  -3.894
   45    HG   HYP   7           HG       HYP   7 -10.196   0.487  -4.997
   46   HD22  HYP   7          1HD1      HYP   7 -11.267   2.173  -3.117
   47   HD23  HYP   7          2HD1      HYP   7  -9.513   2.071  -3.378
   48    HD1  HYP   7          2HD       HYP   7 -12.394   0.652  -3.418
   49    H    LYS   8           HN       LYS   8  -7.963  -1.567  -0.490
   50    HA   LYS   8           HA       LYS   8  -5.657  -0.062  -1.404
   51    HB2  LYS   8          2HB       LYS   8  -4.537  -1.247   0.557
   52    HB3  LYS   8          1HB       LYS   8  -5.736  -0.020   0.943
   53    HG2  LYS   8          2HG       LYS   8  -7.342  -1.591   1.422
   54    HG3  LYS   8          1HG       LYS   8  -6.409  -2.933   0.795
   55    HD2  LYS   8          2HD       LYS   8  -4.739  -2.531   2.600
   56    HD3  LYS   8          1HD       LYS   8  -5.736  -1.210   3.202
   57    HE2  LYS   8          2HE       LYS   8  -7.568  -2.822   3.614
   58    HE3  LYS   8          1HE       LYS   8  -6.517  -4.126   3.067
   59    HZ1  LYS   8          1HZ       LYS   8  -6.067  -2.389   5.437
   60    HZ2  LYS   8          2HZ       LYS   8  -4.994  -3.557   4.900
   61    HZ3  LYS   8          3HZ       LYS   8  -6.526  -4.008   5.455
   62    H    LYS   9           HN       LYS   9  -4.187  -0.957  -2.569
   63    HA   LYS   9           HA       LYS   9  -4.535  -3.775  -3.224
   64    HB2  LYS   9          2HB       LYS   9  -3.358  -1.567  -4.922
   65    HB3  LYS   9          1HB       LYS   9  -3.412  -3.260  -5.387
   66    HG2  LYS   9          2HG       LYS   9  -5.805  -1.488  -4.875
   67    HG3  LYS   9          1HG       LYS   9  -5.209  -1.996  -6.456
   68    HD2  LYS   9          2HD       LYS   9  -5.672  -4.334  -5.887
   69    HD3  LYS   9          1HD       LYS   9  -6.225  -3.846  -4.288
   70    HE2  LYS   9          2HE       LYS   9  -8.032  -2.548  -5.334
   71    HE3  LYS   9          1HE       LYS   9  -7.480  -3.088  -6.918
   72    HZ1  LYS   9          1HZ       LYS   9  -8.413  -4.864  -4.743
   73    HZ2  LYS   9          2HZ       LYS   9  -7.923  -5.359  -6.268
   74    HZ3  LYS   9          3HZ       LYS   9  -9.329  -4.443  -6.098
   75    H    CYS  10           HN       CYS  10  -3.280  -4.885  -2.045
   76    HA   CYS  10           HA       CYS  10  -0.712  -3.970  -1.167
   77    HB2  CYS  10          2HB       CYS  10  -2.205  -6.551  -0.770
   78    HB3  CYS  10          1HB       CYS  10  -0.652  -6.216  -0.026
   79    H    LYS  11           HN       LYS  11  -1.866  -5.588  -3.887
   80    HA   LYS  11           HA       LYS  11   0.704  -6.868  -4.396
   81    HB2  LYS  11          2HB       LYS  11  -1.847  -6.934  -6.020
   82    HB3  LYS  11          1HB       LYS  11  -0.375  -7.816  -6.387
   83    HG2  LYS  11          2HG       LYS  11  -0.611  -9.082  -4.305
   84    HG3  LYS  11          1HG       LYS  11  -2.082  -8.188  -3.935
   85    HD2  LYS  11          2HD       LYS  11  -2.650 -10.354  -4.866
   86    HD3  LYS  11          1HD       LYS  11  -3.113  -9.080  -5.992
   87    HE2  LYS  11          2HE       LYS  11  -2.089 -10.926  -7.189
   88    HE3  LYS  11          1HE       LYS  11  -1.058  -9.509  -7.293
   89    HZ1  LYS  11          1HZ       LYS  11   0.299 -10.466  -5.484
   90    HZ2  LYS  11          2HZ       LYS  11   0.259 -11.426  -6.844
   91    HZ3  LYS  11          3HZ       LYS  11  -0.670 -11.849  -5.499
   92    H    ASP  12           HN       ASP  12  -0.487  -3.895  -4.637
   93    HA   ASP  12           HA       ASP  12   0.769  -3.336  -7.215
   94    HB2  ASP  12          2HB       ASP  12  -1.463  -2.285  -6.779
   95    HB3  ASP  12          1HB       ASP  12  -0.759  -1.435  -5.407
   96    H    ARG  13           HN       ARG  13   2.518  -1.958  -7.322
   97    HA   ARG  13           HA       ARG  13   4.396  -2.353  -5.327
   98    HB2  ARG  13          2HB       ARG  13   5.832  -0.768  -6.517
   99    HB3  ARG  13          1HB       ARG  13   5.101  -1.956  -7.584
  100    HG2  ARG  13          2HG       ARG  13   3.565  -0.336  -8.438
  101    HG3  ARG  13          1HG       ARG  13   4.061   0.836  -7.213
  102    HD2  ARG  13          2HD       ARG  13   5.832  -0.298  -9.369
  103    HD3  ARG  13          1HD       ARG  13   5.088   1.302  -9.395
  104    HE   ARG  13           HE       ARG  13   6.368   1.425  -7.104
  105   HH11  ARG  13          1HH1      ARG  13   7.559   0.219 -10.211
  106   HH12  ARG  13          2HH1      ARG  13   9.186   0.614  -9.882
  107   HH21  ARG  13          1HH2      ARG  13   8.567   1.942  -6.666
  108   HH22  ARG  13          2HH2      ARG  13   9.772   1.634  -7.832
  109    H    ARG  14           HN       ARG  14   2.083   0.233  -5.645
  110    HA   ARG  14           HA       ARG  14   3.423   2.149  -4.088
  111    HB2  ARG  14          2HB       ARG  14   1.325   3.310  -3.929
  112    HB3  ARG  14          1HB       ARG  14   1.474   2.636  -5.542
  113    HG2  ARG  14          2HG       ARG  14   0.044   0.716  -4.704
  114    HG3  ARG  14          1HG       ARG  14  -0.287   1.720  -3.292
  115    HD2  ARG  14          2HD       ARG  14  -2.046   2.048  -4.858
  116    HD3  ARG  14          1HD       ARG  14  -1.053   3.514  -4.867
  117    HE   ARG  14           HE       ARG  14  -0.167   1.622  -6.763
  118   HH11  ARG  14          1HH1      ARG  14  -2.702   4.062  -6.310
  119   HH12  ARG  14          2HH1      ARG  14  -2.923   4.341  -7.978
  120   HH21  ARG  14          1HH2      ARG  14  -0.461   1.998  -9.010
  121   HH22  ARG  14          2HH2      ARG  14  -1.608   3.116  -9.581
  122    H    CYS  15           HN       CYS  15   1.694  -0.717  -3.111
  123    HA   CYS  15           HA       CYS  15   2.146   0.084  -0.322
  124    HB2  CYS  15          2HB       CYS  15  -0.210  -1.258  -1.561
  125    HB3  CYS  15          1HB       CYS  15   0.318  -1.844   0.012
  126    H    LYS  16           HN       LYS  16   3.799  -1.344  -2.357
  127    HA   LYS  16           HA       LYS  16   3.843  -4.044  -1.308
  128    HB2  LYS  16          2HB       LYS  16   3.996  -3.726  -3.709
  129    HB3  LYS  16          1HB       LYS  16   5.439  -2.750  -3.510
  130    HG2  LYS  16          2HG       LYS  16   6.710  -4.645  -2.844
  131    HG3  LYS  16          1HG       LYS  16   5.260  -5.652  -2.754
  132    HD2  LYS  16          2HD       LYS  16   4.909  -5.414  -5.140
  133    HD3  LYS  16          1HD       LYS  16   6.290  -4.325  -5.256
  134    HE2  LYS  16          2HE       LYS  16   6.808  -6.616  -5.995
  135    HE3  LYS  16          1HE       LYS  16   7.788  -6.085  -4.633
  136    HZ1  LYS  16          1HZ       LYS  16   6.962  -8.372  -4.431
  137    HZ2  LYS  16          2HZ       LYS  16   5.377  -7.811  -4.371
  138    HZ3  LYS  16          3HZ       LYS  16   6.455  -7.413  -3.157
  139    HA   HYP  17           HA       HYP  17   7.982  -2.517   0.561
  140    HB2  HYP  17          1HB       HYP  17   8.799  -0.635  -0.573
  141    HB3  HYP  17          2HB       HYP  17   8.295   0.169   0.922
  142    HG   HYP  17           HG       HYP  17   6.202   0.762   0.011
  143   HD22  HYP  17          1HD1      HYP  17   6.908  -1.093  -2.272
  144   HD23  HYP  17          2HD1      HYP  17   5.295  -0.510  -1.799
  145    HD1  HYP  17          2HD       HYP  17   6.557   1.350  -2.107
  146    H    LEU  18           HN       LEU  18   4.945  -1.140   1.087
  147    HA   LEU  18           HA       LEU  18   5.385  -0.051   3.700
  148    HB2  LEU  18          2HB       LEU  18   2.809  -0.587   2.232
  149    HB3  LEU  18          1HB       LEU  18   2.963   0.338   3.706
  150    HG   LEU  18           HG       LEU  18   4.063   1.117   0.992
  151   HD11  LEU  18          1HD1      LEU  18   2.418   2.902   1.112
  152   HD12  LEU  18          2HD1      LEU  18   1.859   2.302   2.671
  153   HD13  LEU  18          3HD1      LEU  18   1.618   1.332   1.222
  154   HD21  LEU  18          1HD2      LEU  18   4.145   2.579   3.626
  155   HD22  LEU  18          2HD2      LEU  18   4.647   3.228   2.062
  156   HD23  LEU  18          3HD2      LEU  18   5.527   1.876   2.780
  157    H    LYS  19           HN       LYS  19   5.033  -0.952   5.606
  158    HA   LYS  19           HA       LYS  19   4.711  -3.761   5.937
  159    HB2  LYS  19          2HB       LYS  19   4.574  -1.489   7.923
  160    HB3  LYS  19          1HB       LYS  19   4.586  -3.193   8.355
  161    HG2  LYS  19          2HG       LYS  19   6.807  -3.460   7.483
  162    HG3  LYS  19          1HG       LYS  19   6.791  -1.824   6.829
  163    HD2  LYS  19          2HD       LYS  19   8.074  -1.941   8.913
  164    HD3  LYS  19          1HD       LYS  19   6.658  -0.908   9.085
  165    HE2  LYS  19          2HE       LYS  19   5.459  -2.772  10.180
  166    HE3  LYS  19          1HE       LYS  19   6.913  -3.762  10.037
  167    HZ1  LYS  19          1HZ       LYS  19   6.664  -2.734  12.231
  168    HZ2  LYS  19          2HZ       LYS  19   6.746  -1.205  11.529
  169    HZ3  LYS  19          3HZ       LYS  19   8.067  -2.242  11.455
  170    H    CYS  20           HN       CYS  20   2.592  -1.267   5.471
  171    HA   CYS  20           HA       CYS  20   0.265  -2.097   6.801
  172    HB2  CYS  20          2HB       CYS  20   0.610   0.142   5.847
  173    HB3  CYS  20          1HB       CYS  20   0.614  -0.548   4.231
  174    H    CYS  21           HN       CYS  21   1.923  -3.223   3.974
  175    HA   CYS  21           HA       CYS  21  -0.102  -5.249   3.591
  176    HB2  CYS  21          2HB       CYS  21   1.187  -3.544   1.465
  177    HB3  CYS  21          1HB       CYS  21   0.471  -5.104   1.098
  178    H    ALA  22           HN       ALA  22   1.223  -6.788   1.734
  179    HA   ALA  22           HA       ALA  22   3.503  -7.662   3.260
  180    HB1  ALA  22          2HB       ALA  22   2.234  -8.789   0.763
  181    HB2  ALA  22          3HB       ALA  22   1.895  -9.296   2.417
  182    HB3  ALA  22          1HB       ALA  22   3.491  -9.569   1.721
  183    HN1  NH2  23          2H        ALA  22   5.680  -5.665   1.339
  184    HN2  NH2  23          1H        ALA  22   4.852  -5.856   2.850
  Start of MODEL   10
    1    H1   ARG   1          1HT       ARG   1   2.023   7.236  -0.501
    2    H2   ARG   1          2HT       ARG   1   1.470   8.371   0.608
    3    H3   ARG   1          3HT       ARG   1   1.877   8.869  -0.951
    4    HA   ARG   1           HA       ARG   1  -0.505   8.739  -0.606
    5    HB2  ARG   1          2HB       ARG   1   0.514   8.218  -2.856
    6    HB3  ARG   1          1HB       ARG   1   0.526   6.525  -2.398
    7    HG2  ARG   1          2HG       ARG   1  -1.347   6.997  -3.870
    8    HG3  ARG   1          1HG       ARG   1  -1.919   6.537  -2.267
    9    HD2  ARG   1          2HD       ARG   1  -2.323   8.846  -1.699
   10    HD3  ARG   1          1HD       ARG   1  -1.632   9.383  -3.228
   11    HE   ARG   1           HE       ARG   1  -3.553   7.974  -4.198
   12   HH11  ARG   1          1HH1      ARG   1  -3.800   9.850  -1.202
   13   HH12  ARG   1          2HH1      ARG   1  -5.452  10.209  -1.414
   14   HH21  ARG   1          1HH2      ARG   1  -5.810   8.525  -4.484
   15   HH22  ARG   1          2HH2      ARG   1  -6.610   9.471  -3.311
   16    H    ASP   2           HN       ASP   2  -2.081   7.777   0.576
   17    HA   ASP   2           HA       ASP   2  -1.424   5.476   2.100
   18    HB2  ASP   2          2HB       ASP   2  -3.629   5.622   3.099
   19    HB3  ASP   2          1HB       ASP   2  -2.988   7.254   2.967
   20    H    CYS   3           HN       CYS   3  -1.731   3.475   1.672
   21    HA   CYS   3           HA       CYS   3  -3.457   2.769  -0.590
   22    HB2  CYS   3          2HB       CYS   3  -0.883   1.500   0.271
   23    HB3  CYS   3          1HB       CYS   3  -1.895   0.906  -1.038
   24    H    CYS   4           HN       CYS   4  -3.095   2.525   2.699
   25    HA   CYS   4           HA       CYS   4  -3.935  -0.216   2.960
   26    HB2  CYS   4          2HB       CYS   4  -2.318   0.742   4.539
   27    HB3  CYS   4          1HB       CYS   4  -3.488   1.941   5.047
   28    H    THR   5           HN       THR   5  -5.475   2.742   2.454
   29    HA   THR   5           HA       THR   5  -7.809   2.237   3.944
   30    HB   THR   5           HB       THR   5  -7.481   4.034   1.524
   31    HG1  THR   5          1HG       THR   5  -6.370   5.261   2.733
   32   HG21  THR   5          1HG2      THR   5  -9.342   5.285   2.578
   33   HG22  THR   5          2HG2      THR   5  -9.393   4.053   3.854
   34   HG23  THR   5          3HG2      THR   5  -9.792   3.614   2.205
   35    HA   HYP   6           HA       HYP   6  -9.131  -0.953   1.106
   36    HB2  HYP   6          1HB       HYP   6 -10.465  -2.160   2.505
   37    HB3  HYP   6          2HB       HYP   6 -11.734  -0.928   2.439
   38    HG   HYP   6           HG       HYP   6 -10.939  -0.751   4.705
   39   HD22  HYP   6          1HD1      HYP   6  -9.325   1.256   4.453
   40   HD23  HYP   6          2HD1      HYP   6 -10.845   1.398   3.528
   41    HD1  HYP   6          2HD       HYP   6  -8.352  -0.451   4.125
   42    HA   HYP   7           HA       HYP   7 -10.018  -2.202  -0.380
   43    HB2  HYP   7          1HB       HYP   7 -10.526  -2.924  -2.505
   44    HB3  HYP   7          2HB       HYP   7  -9.822  -1.479  -3.248
   45    HG   HYP   7           HG       HYP   7 -12.185  -1.183  -3.519
   46   HD22  HYP   7          1HD1      HYP   7 -12.583   0.466  -1.470
   47   HD23  HYP   7          2HD1      HYP   7 -11.181   0.812  -2.512
   48    HD1  HYP   7          2HD       HYP   7 -13.459  -1.363  -1.576
   49    H    LYS   8           HN       LYS   8  -7.996  -2.663  -0.219
   50    HA   LYS   8           HA       LYS   8  -6.147  -0.569  -0.064
   51    HB2  LYS   8          2HB       LYS   8  -5.678  -3.540   0.052
   52    HB3  LYS   8          1HB       LYS   8  -4.533  -2.299   0.544
   53    HG2  LYS   8          2HG       LYS   8  -6.237  -1.521   2.215
   54    HG3  LYS   8          1HG       LYS   8  -7.188  -2.930   1.787
   55    HD2  LYS   8          2HD       LYS   8  -5.368  -4.410   2.445
   56    HD3  LYS   8          1HD       LYS   8  -4.376  -3.014   2.870
   57    HE2  LYS   8          2HE       LYS   8  -6.044  -2.358   4.539
   58    HE3  LYS   8          1HE       LYS   8  -7.001  -3.780   4.139
   59    HZ1  LYS   8          1HZ       LYS   8  -4.273  -3.759   5.323
   60    HZ2  LYS   8          2HZ       LYS   8  -5.075  -5.147   4.827
   61    HZ3  LYS   8          3HZ       LYS   8  -5.708  -4.219   6.082
   62    H    LYS   9           HN       LYS   9  -4.471  -0.047  -1.238
   63    HA   LYS   9           HA       LYS   9  -4.624  -0.707  -4.072
   64    HB2  LYS   9          2HB       LYS   9  -2.935   1.357  -2.643
   65    HB3  LYS   9          1HB       LYS   9  -3.139   1.197  -4.377
   66    HG2  LYS   9          2HG       LYS   9  -5.473   1.803  -4.206
   67    HG3  LYS   9          1HG       LYS   9  -5.362   1.824  -2.448
   68    HD2  LYS   9          2HD       LYS   9  -5.283   4.089  -3.395
   69    HD3  LYS   9          1HD       LYS   9  -3.796   3.686  -2.542
   70    HE2  LYS   9          2HE       LYS   9  -3.338   4.852  -4.642
   71    HE3  LYS   9          1HE       LYS   9  -2.688   3.218  -4.671
   72    HZ1  LYS   9          1HZ       LYS   9  -5.221   4.111  -5.940
   73    HZ2  LYS   9          2HZ       LYS   9  -4.613   2.533  -5.984
   74    HZ3  LYS   9          3HZ       LYS   9  -3.778   3.784  -6.728
   75    H    CYS  10           HN       CYS  10  -3.506  -2.494  -2.015
   76    HA   CYS  10           HA       CYS  10  -0.677  -2.508  -2.043
   77    HB2  CYS  10          2HB       CYS  10  -2.592  -4.698  -1.266
   78    HB3  CYS  10          1HB       CYS  10  -0.886  -4.617  -0.840
   79    H    LYS  11           HN       LYS  11  -2.624  -3.219  -4.577
   80    HA   LYS  11           HA       LYS  11  -1.284  -5.570  -5.559
   81    HB2  LYS  11          2HB       LYS  11  -3.083  -3.576  -6.952
   82    HB3  LYS  11          1HB       LYS  11  -2.476  -5.054  -7.671
   83    HG2  LYS  11          2HG       LYS  11  -4.211  -4.998  -5.214
   84    HG3  LYS  11          1HG       LYS  11  -4.826  -5.165  -6.859
   85    HD2  LYS  11          2HD       LYS  11  -3.508  -7.207  -7.144
   86    HD3  LYS  11          1HD       LYS  11  -2.887  -7.036  -5.502
   87    HE2  LYS  11          2HE       LYS  11  -5.112  -7.285  -4.591
   88    HE3  LYS  11          1HE       LYS  11  -5.804  -7.320  -6.209
   89    HZ1  LYS  11          1HZ       LYS  11  -3.939  -9.353  -5.099
   90    HZ2  LYS  11          2HZ       LYS  11  -4.644  -9.408  -6.619
   91    HZ3  LYS  11          3HZ       LYS  11  -5.599  -9.529  -5.237
   92    H    ASP  12           HN       ASP  12  -0.777  -2.174  -5.544
   93    HA   ASP  12           HA       ASP  12   1.065  -2.347  -7.796
   94    HB2  ASP  12          2HB       ASP  12  -0.574  -0.463  -7.721
   95    HB3  ASP  12          1HB       ASP  12   0.242   0.122  -6.269
   96    H    ARG  13           HN       ARG  13   3.221  -1.985  -7.604
   97    HA   ARG  13           HA       ARG  13   4.349  -2.753  -5.179
   98    HB2  ARG  13          2HB       ARG  13   6.534  -2.393  -6.211
   99    HB3  ARG  13          1HB       ARG  13   5.454  -3.359  -7.194
  100    HG2  ARG  13          2HG       ARG  13   5.043  -1.436  -8.641
  101    HG3  ARG  13          1HG       ARG  13   6.092  -0.447  -7.622
  102    HD2  ARG  13          2HD       ARG  13   7.276  -1.271  -9.611
  103    HD3  ARG  13          1HD       ARG  13   7.978  -1.882  -8.119
  104    HE   ARG  13           HE       ARG  13   6.212  -3.438  -9.889
  105   HH11  ARG  13          1HH1      ARG  13   8.896  -3.297  -7.577
  106   HH12  ARG  13          2HH1      ARG  13   9.309  -4.934  -7.735
  107   HH21  ARG  13          1HH2      ARG  13   6.793  -5.687 -10.115
  108   HH22  ARG  13          2HH2      ARG  13   8.093  -6.335  -9.239
  109    H    ARG  14           HN       ARG  14   3.618   0.483  -6.295
  110    HA   ARG  14           HA       ARG  14   5.497   1.816  -4.651
  111    HB2  ARG  14          2HB       ARG  14   2.805   2.655  -5.730
  112    HB3  ARG  14          1HB       ARG  14   3.833   3.730  -4.796
  113    HG2  ARG  14          2HG       ARG  14   5.529   3.686  -6.469
  114    HG3  ARG  14          1HG       ARG  14   4.699   2.403  -7.351
  115    HD2  ARG  14          2HD       ARG  14   4.376   4.618  -8.385
  116    HD3  ARG  14          1HD       ARG  14   2.865   3.891  -7.856
  117    HE   ARG  14           HE       ARG  14   4.142   5.713  -6.014
  118   HH11  ARG  14          1HH1      ARG  14   1.612   5.285  -8.497
  119   HH12  ARG  14          2HH1      ARG  14   0.799   6.722  -8.108
  120   HH21  ARG  14          1HH2      ARG  14   2.933   7.714  -5.466
  121   HH22  ARG  14          2HH2      ARG  14   1.520   8.082  -6.330
  122    H    CYS  15           HN       CYS  15   2.528   0.192  -4.031
  123    HA   CYS  15           HA       CYS  15   2.261   1.336  -1.369
  124    HB2  CYS  15          2HB       CYS  15   0.520  -0.591  -2.896
  125    HB3  CYS  15          1HB       CYS  15   0.132   0.153  -1.350
  126    H    LYS  16           HN       LYS  16   4.024  -1.039  -2.737
  127    HA   LYS  16           HA       LYS  16   3.295  -3.244  -1.036
  128    HB2  LYS  16          2HB       LYS  16   4.088  -3.612  -3.336
  129    HB3  LYS  16          1HB       LYS  16   5.672  -2.994  -2.888
  130    HG2  LYS  16          2HG       LYS  16   5.939  -4.860  -1.325
  131    HG3  LYS  16          1HG       LYS  16   4.342  -5.456  -1.778
  132    HD2  LYS  16          2HD       LYS  16   5.117  -5.683  -4.108
  133    HD3  LYS  16          1HD       LYS  16   6.726  -5.170  -3.601
  134    HE2  LYS  16          2HE       LYS  16   5.262  -7.607  -2.588
  135    HE3  LYS  16          1HE       LYS  16   6.537  -7.614  -3.799
  136    HZ1  LYS  16          1HZ       LYS  16   7.416  -8.183  -1.618
  137    HZ2  LYS  16          2HZ       LYS  16   6.844  -6.753  -0.967
  138    HZ3  LYS  16          3HZ       LYS  16   8.054  -6.720  -2.134
  139    HA   HYP  17           HA       HYP  17   7.527  -1.880   1.189
  140    HB2  HYP  17          1HB       HYP  17   8.455   0.012   0.166
  141    HB3  HYP  17          2HB       HYP  17   7.607   0.860   1.474
  142    HG   HYP  17           HG       HYP  17   5.678   1.161   0.150
  143   HD22  HYP  17          1HD1      HYP  17   7.094  -0.748  -1.733
  144   HD23  HYP  17          2HD1      HYP  17   5.393  -0.214  -1.832
  145    HD1  HYP  17          2HD       HYP  17   6.242   1.907  -1.708
  146    H    LEU  18           HN       LEU  18   4.382  -0.523   1.218
  147    HA   LEU  18           HA       LEU  18   4.415   0.596   3.822
  148    HB2  LEU  18          2HB       LEU  18   2.086  -0.209   2.089
  149    HB3  LEU  18          1HB       LEU  18   2.002   0.824   3.502
  150    HG   LEU  18           HG       LEU  18   3.444   1.481   0.932
  151   HD11  LEU  18          1HD1      LEU  18   1.686   3.167   0.667
  152   HD12  LEU  18          2HD1      LEU  18   0.854   2.484   2.072
  153   HD13  LEU  18          3HD1      LEU  18   1.093   1.510   0.619
  154   HD21  LEU  18          1HD2      LEU  18   4.541   2.521   2.845
  155   HD22  LEU  18          2HD2      LEU  18   2.990   3.138   3.415
  156   HD23  LEU  18          3HD2      LEU  18   3.673   3.733   1.901
  157    H    LYS  19           HN       LYS  19   4.046  -0.366   5.678
  158    HA   LYS  19           HA       LYS  19   4.237  -3.157   5.747
  159    HB2  LYS  19          2HB       LYS  19   4.052  -2.966   8.222
  160    HB3  LYS  19          1HB       LYS  19   5.295  -1.969   7.496
  161    HG2  LYS  19          2HG       LYS  19   3.863  -0.006   7.739
  162    HG3  LYS  19          1HG       LYS  19   2.602  -1.019   8.453
  163    HD2  LYS  19          2HD       LYS  19   4.090  -1.619  10.285
  164    HD3  LYS  19          1HD       LYS  19   5.391  -0.685   9.557
  165    HE2  LYS  19          2HE       LYS  19   4.331   0.535  11.389
  166    HE3  LYS  19          1HE       LYS  19   4.116   1.357   9.848
  167    HZ1  LYS  19          1HZ       LYS  19   1.864   0.543   9.735
  168    HZ2  LYS  19          2HZ       LYS  19   2.095   1.329  11.189
  169    HZ3  LYS  19          3HZ       LYS  19   2.052  -0.351  11.154
  170    H    CYS  20           HN       CYS  20   1.436  -1.184   5.702
  171    HA   CYS  20           HA       CYS  20  -0.342  -3.135   6.767
  172    HB2  CYS  20          2HB       CYS  20  -0.991  -0.770   6.586
  173    HB3  CYS  20          1HB       CYS  20  -0.911  -0.878   4.830
  174    H    CYS  21           HN       CYS  21   1.221  -2.746   3.693
  175    HA   CYS  21           HA       CYS  21  -0.553  -4.678   2.448
  176    HB2  CYS  21          2HB       CYS  21   1.698  -3.008   1.321
  177    HB3  CYS  21          1HB       CYS  21   0.702  -4.113   0.383
  178    H    ALA  22           HN       ALA  22   2.157  -4.626   4.288
  179    HA   ALA  22           HA       ALA  22   3.418  -6.903   3.005
  180    HB1  ALA  22          2HB       ALA  22   5.166  -6.643   4.729
  181    HB2  ALA  22          3HB       ALA  22   4.223  -5.363   5.487
  182    HB3  ALA  22          1HB       ALA  22   4.886  -5.126   3.872
  183    HN1  NH2  23          2H        ALA  22   2.128  -7.837   6.766
  184    HN2  NH2  23          1H        ALA  22   3.039  -6.403   6.459
  Start of MODEL   11
    1    H1   ARG   1          1HT       ARG   1   0.152   9.358  -1.762
    2    H2   ARG   1          2HT       ARG   1  -0.490  10.293  -0.545
    3    H3   ARG   1          3HT       ARG   1  -0.669  10.780  -2.173
    4    HA   ARG   1           HA       ARG   1  -2.708   9.821  -1.297
    5    HB2  ARG   1          2HB       ARG   1  -2.204   9.405  -3.703
    6    HB3  ARG   1          1HB       ARG   1  -1.235   8.015  -3.206
    7    HG2  ARG   1          2HG       ARG   1  -3.379   7.292  -4.108
    8    HG3  ARG   1          1HG       ARG   1  -3.201   6.855  -2.412
    9    HD2  ARG   1          2HD       ARG   1  -4.541   8.951  -1.884
   10    HD3  ARG   1          1HD       ARG   1  -4.894   9.042  -3.609
   11    HE   ARG   1           HE       ARG   1  -5.450   6.470  -2.672
   12   HH11  ARG   1          1HH1      ARG   1  -6.825   9.745  -2.409
   13   HH12  ARG   1          2HH1      ARG   1  -8.409   9.174  -2.158
   14   HH21  ARG   1          1HH2      ARG   1  -7.635   5.753  -2.290
   15   HH22  ARG   1          2HH2      ARG   1  -8.887   6.890  -2.077
   16    H    ASP   2           HN       ASP   2  -3.406   8.623   0.352
   17    HA   ASP   2           HA       ASP   2  -1.683   6.653   1.494
   18    HB2  ASP   2          2HB       ASP   2  -3.416   6.245   3.131
   19    HB3  ASP   2          1HB       ASP   2  -3.365   7.993   2.887
   20    H    CYS   3           HN       CYS   3  -1.832   4.573   1.245
   21    HA   CYS   3           HA       CYS   3  -3.691   3.599  -0.801
   22    HB2  CYS   3          2HB       CYS   3  -1.246   3.431  -1.255
   23    HB3  CYS   3          1HB       CYS   3  -1.098   2.372   0.137
   24    H    CYS   4           HN       CYS   4  -2.506   3.116   2.468
   25    HA   CYS   4           HA       CYS   4  -3.379   0.502   2.967
   26    HB2  CYS   4          2HB       CYS   4  -3.009   2.761   4.927
   27    HB3  CYS   4          1HB       CYS   4  -3.116   1.053   5.334
   28    H    THR   5           HN       THR   5  -5.293   3.426   2.967
   29    HA   THR   5           HA       THR   5  -7.317   2.371   4.608
   30    HB   THR   5           HB       THR   5  -7.593   4.512   2.465
   31    HG1  THR   5          1HG       THR   5  -6.245   5.450   3.583
   32   HG21  THR   5          1HG2      THR   5  -9.433   5.300   3.870
   33   HG22  THR   5          2HG2      THR   5  -9.071   4.017   5.038
   34   HG23  THR   5          3HG2      THR   5  -9.678   3.592   3.450
   35    HA   HYP   6           HA       HYP   6  -8.420  -0.725   1.526
   36    HB2  HYP   6          1HB       HYP   6  -9.307  -2.262   2.954
   37    HB3  HYP   6          2HB       HYP   6 -10.792  -1.309   3.107
   38    HG   HYP   6           HG       HYP   6  -9.839  -1.147   5.316
   39   HD22  HYP   6          1HD1      HYP   6  -8.630   1.124   5.122
   40   HD23  HYP   6          2HD1      HYP   6 -10.222   1.076   4.305
   41    HD1  HYP   6          2HD       HYP   6  -7.454  -0.375   4.345
   42    HA   HYP   7           HA       HYP   7  -9.411  -1.990  -0.038
   43    HB2  HYP   7          1HB       HYP   7 -10.401  -2.454  -2.035
   44    HB3  HYP   7          2HB       HYP   7  -9.610  -1.058  -2.776
   45    HG   HYP   7           HG       HYP   7 -11.869  -0.366  -2.855
   46   HD22  HYP   7          1HD1      HYP   7 -12.142   0.909  -0.541
   47   HD23  HYP   7          2HD1      HYP   7 -10.708   1.313  -1.519
   48    HD1  HYP   7          2HD       HYP   7 -12.191  -1.449  -0.320
   49    H    LYS   8           HN       LYS   8  -7.308  -2.270  -0.356
   50    HA   LYS   8           HA       LYS   8  -5.707   0.078  -1.016
   51    HB2  LYS   8          2HB       LYS   8  -3.919  -1.270   0.350
   52    HB3  LYS   8          1HB       LYS   8  -5.123  -0.288   1.171
   53    HG2  LYS   8          2HG       LYS   8  -6.452  -2.165   1.574
   54    HG3  LYS   8          1HG       LYS   8  -5.355  -3.228   0.679
   55    HD2  LYS   8          2HD       LYS   8  -3.603  -2.753   2.372
   56    HD3  LYS   8          1HD       LYS   8  -4.720  -1.677   3.219
   57    HE2  LYS   8          2HE       LYS   8  -6.214  -3.548   3.656
   58    HE3  LYS   8          1HE       LYS   8  -5.148  -4.631   2.769
   59    HZ1  LYS   8          1HZ       LYS   8  -3.425  -4.218   4.439
   60    HZ2  LYS   8          2HZ       LYS   8  -4.818  -4.831   5.139
   61    HZ3  LYS   8          3HZ       LYS   8  -4.463  -3.215   5.308
   62    H    LYS   9           HN       LYS   9  -4.266  -0.023  -2.537
   63    HA   LYS   9           HA       LYS   9  -4.235  -2.388  -4.214
   64    HB2  LYS   9          2HB       LYS   9  -3.144   0.381  -4.649
   65    HB3  LYS   9          1HB       LYS   9  -2.779  -0.941  -5.740
   66    HG2  LYS   9          2HG       LYS   9  -5.542   0.062  -5.100
   67    HG3  LYS   9          1HG       LYS   9  -4.611   0.495  -6.535
   68    HD2  LYS   9          2HD       LYS   9  -4.543  -1.911  -7.153
   69    HD3  LYS   9          1HD       LYS   9  -5.570  -2.267  -5.766
   70    HE2  LYS   9          2HE       LYS   9  -6.294  -0.475  -8.080
   71    HE3  LYS   9          1HE       LYS   9  -6.865  -2.123  -7.835
   72    HZ1  LYS   9          1HZ       LYS   9  -7.920  -1.388  -5.781
   73    HZ2  LYS   9          2HZ       LYS   9  -8.493  -0.558  -7.123
   74    HZ3  LYS   9          3HZ       LYS   9  -7.424   0.204  -6.068
   75    H    CYS  10           HN       CYS  10  -3.104  -3.318  -2.189
   76    HA   CYS  10           HA       CYS  10  -0.330  -2.994  -1.815
   77    HB2  CYS  10          2HB       CYS  10  -2.013  -5.445  -1.430
   78    HB3  CYS  10          1HB       CYS  10  -0.472  -5.132  -0.652
   79    H    LYS  11           HN       LYS  11  -2.134  -4.428  -4.277
   80    HA   LYS  11           HA       LYS  11  -0.312  -6.291  -5.351
   81    HB2  LYS  11          2HB       LYS  11  -2.682  -6.290  -5.935
   82    HB3  LYS  11          1HB       LYS  11  -2.546  -4.680  -6.606
   83    HG2  LYS  11          2HG       LYS  11  -2.697  -6.343  -8.367
   84    HG3  LYS  11          1HG       LYS  11  -1.134  -5.530  -8.395
   85    HD2  LYS  11          2HD       LYS  11  -0.837  -7.898  -8.798
   86    HD3  LYS  11          1HD       LYS  11  -0.136  -7.463  -7.246
   87    HE2  LYS  11          2HE       LYS  11  -1.357  -9.586  -7.118
   88    HE3  LYS  11          1HE       LYS  11  -2.088  -8.360  -6.090
   89    HZ1  LYS  11          1HZ       LYS  11  -3.795  -8.022  -7.738
   90    HZ2  LYS  11          2HZ       LYS  11  -3.734  -9.622  -7.291
   91    HZ3  LYS  11          3HZ       LYS  11  -3.084  -9.147  -8.787
   92    H    ASP  12           HN       ASP  12  -0.583  -2.795  -5.509
   93    HA   ASP  12           HA       ASP  12   1.234  -2.524  -7.749
   94    HB2  ASP  12          2HB       ASP  12  -0.659  -0.904  -7.345
   95    HB3  ASP  12          1HB       ASP  12   0.145  -0.405  -5.863
   96    H    ARG  13           HN       ARG  13   3.329  -1.915  -7.566
   97    HA   ARG  13           HA       ARG  13   4.865  -2.831  -5.437
   98    HB2  ARG  13          2HB       ARG  13   5.599  -0.774  -7.508
   99    HB3  ARG  13          1HB       ARG  13   6.721  -1.563  -6.425
  100    HG2  ARG  13          2HG       ARG  13   6.292  -3.702  -7.442
  101    HG3  ARG  13          1HG       ARG  13   5.036  -2.996  -8.467
  102    HD2  ARG  13          2HD       ARG  13   6.633  -1.614  -9.580
  103    HD3  ARG  13          1HD       ARG  13   7.908  -2.103  -8.469
  104    HE   ARG  13           HE       ARG  13   6.923  -4.385  -9.687
  105   HH11  ARG  13          1HH1      ARG  13   8.589  -1.425 -10.683
  106   HH12  ARG  13          2HH1      ARG  13   9.463  -2.168 -11.945
  107   HH21  ARG  13          1HH2      ARG  13   8.161  -5.411 -11.418
  108   HH22  ARG  13          2HH2      ARG  13   9.216  -4.474 -12.370
  109    H    ARG  14           HN       ARG  14   3.503   0.348  -5.999
  110    HA   ARG  14           HA       ARG  14   5.142   1.802  -4.211
  111    HB2  ARG  14          2HB       ARG  14   2.347   2.337  -5.184
  112    HB3  ARG  14          1HB       ARG  14   3.331   3.491  -4.295
  113    HG2  ARG  14          2HG       ARG  14   4.939   3.567  -6.066
  114    HG3  ARG  14          1HG       ARG  14   4.097   2.280  -6.936
  115    HD2  ARG  14          2HD       ARG  14   3.559   4.447  -7.894
  116    HD3  ARG  14          1HD       ARG  14   2.142   3.712  -7.144
  117    HE   ARG  14           HE       ARG  14   3.630   5.535  -5.481
  118   HH11  ARG  14          1HH1      ARG  14   0.824   5.066  -7.602
  119   HH12  ARG  14          2HH1      ARG  14   0.076   6.529  -7.127
  120   HH21  ARG  14          1HH2      ARG  14   2.575   7.555  -4.871
  121   HH22  ARG  14          2HH2      ARG  14   1.072   7.939  -5.568
  122    H    CYS  15           HN       CYS  15   2.394  -0.254  -3.709
  123    HA   CYS  15           HA       CYS  15   2.079   0.770  -0.993
  124    HB2  CYS  15          2HB       CYS  15   0.385  -1.184  -2.536
  125    HB3  CYS  15          1HB       CYS  15  -0.008  -0.478  -0.969
  126    H    LYS  16           HN       LYS  16   3.919  -1.427  -2.541
  127    HA   LYS  16           HA       LYS  16   3.438  -3.762  -0.955
  128    HB2  LYS  16          2HB       LYS  16   4.396  -3.697  -3.316
  129    HB3  LYS  16          1HB       LYS  16   5.899  -3.144  -2.624
  130    HG2  LYS  16          2HG       LYS  16   4.599  -5.814  -2.013
  131    HG3  LYS  16          1HG       LYS  16   5.837  -5.565  -3.231
  132    HD2  LYS  16          2HD       LYS  16   6.134  -5.183  -0.246
  133    HD3  LYS  16          1HD       LYS  16   6.793  -6.511  -1.201
  134    HE2  LYS  16          2HE       LYS  16   8.140  -4.845  -2.466
  135    HE3  LYS  16          1HE       LYS  16   7.530  -3.595  -1.389
  136    HZ1  LYS  16          1HZ       LYS  16   9.646  -4.263  -0.582
  137    HZ2  LYS  16          2HZ       LYS  16   9.263  -5.878  -0.714
  138    HZ3  LYS  16          3HZ       LYS  16   8.527  -4.955   0.482
  139    HA   HYP  17           HA       HYP  17   7.498  -2.067   1.453
  140    HB2  HYP  17          1HB       HYP  17   8.352  -0.205   0.316
  141    HB3  HYP  17          2HB       HYP  17   7.539   0.654   1.641
  142    HG   HYP  17           HG       HYP  17   5.549   0.886   0.377
  143   HD22  HYP  17          1HD1      HYP  17   6.970  -0.956  -1.565
  144   HD23  HYP  17          2HD1      HYP  17   5.246  -0.503  -1.581
  145    HD1  HYP  17          2HD       HYP  17   6.124   1.562  -1.605
  146    H    LEU  18           HN       LEU  18   4.235  -1.085   1.491
  147    HA   LEU  18           HA       LEU  18   4.287   0.277   4.025
  148    HB2  LEU  18          2HB       LEU  18   1.979  -0.631   2.320
  149    HB3  LEU  18          1HB       LEU  18   1.863   0.427   3.709
  150    HG   LEU  18           HG       LEU  18   3.264   1.076   1.108
  151   HD11  LEU  18          1HD1      LEU  18   1.466   2.700   0.821
  152   HD12  LEU  18          2HD1      LEU  18   0.713   2.135   2.312
  153   HD13  LEU  18          3HD1      LEU  18   0.833   1.057   0.922
  154   HD21  LEU  18          1HD2      LEU  18   3.500   3.330   2.059
  155   HD22  LEU  18          2HD2      LEU  18   4.378   2.132   3.001
  156   HD23  LEU  18          3HD2      LEU  18   2.828   2.746   3.579
  157    H    LYS  19           HN       LYS  19   3.732  -0.529   5.961
  158    HA   LYS  19           HA       LYS  19   3.848  -3.340   6.299
  159    HB2  LYS  19          2HB       LYS  19   3.547  -2.893   8.722
  160    HB3  LYS  19          1HB       LYS  19   4.829  -1.932   8.007
  161    HG2  LYS  19          2HG       LYS  19   3.231  -0.014   7.898
  162    HG3  LYS  19          1HG       LYS  19   2.068  -1.025   8.757
  163    HD2  LYS  19          2HD       LYS  19   4.791  -0.241   9.809
  164    HD3  LYS  19          1HD       LYS  19   3.279   0.543  10.250
  165    HE2  LYS  19          2HE       LYS  19   2.468  -1.588  11.180
  166    HE3  LYS  19          1HE       LYS  19   3.996  -2.349  10.745
  167    HZ1  LYS  19          1HZ       LYS  19   5.128  -0.788  12.233
  168    HZ2  LYS  19          2HZ       LYS  19   3.996  -1.739  13.044
  169    HZ3  LYS  19          3HZ       LYS  19   3.636  -0.134  12.694
  170    H    CYS  20           HN       CYS  20   1.254  -1.267   5.695
  171    HA   CYS  20           HA       CYS  20  -0.834  -2.875   6.827
  172    HB2  CYS  20          2HB       CYS  20  -2.309  -1.488   5.407
  173    HB3  CYS  20          1HB       CYS  20  -1.221  -0.494   6.368
  174    H    CYS  21           HN       CYS  21   1.228  -3.216   4.166
  175    HA   CYS  21           HA       CYS  21  -0.625  -5.039   2.844
  176    HB2  CYS  21          2HB       CYS  21   1.389  -3.142   1.672
  177    HB3  CYS  21          1HB       CYS  21   0.641  -4.435   0.753
  178    H    ALA  22           HN       ALA  22   0.599  -6.650   1.520
  179    HA   ALA  22           HA       ALA  22   2.779  -7.722   3.063
  180    HB1  ALA  22          2HB       ALA  22   2.567  -9.652   1.547
  181    HB2  ALA  22          3HB       ALA  22   1.372  -8.765   0.600
  182    HB3  ALA  22          1HB       ALA  22   1.015  -9.219   2.265
  183    HN1  NH2  23          2H        ALA  22   5.219  -6.167   1.159
  184    HN2  NH2  23          1H        ALA  22   4.517  -6.483   2.700
  Start of MODEL   12
    1    H1   ARG   1          1HT       ARG   1  -0.080   8.444  -2.420
    2    H2   ARG   1          2HT       ARG   1   0.327   8.009  -0.833
    3    H3   ARG   1          3HT       ARG   1  -1.224   8.482  -1.191
    4    HA   ARG   1           HA       ARG   1  -1.639   6.613  -2.499
    5    HB2  ARG   1          2HB       ARG   1   0.054   4.770  -2.654
    6    HB3  ARG   1          1HB       ARG   1   0.515   6.218  -3.521
    7    HG2  ARG   1          2HG       ARG   1   1.977   6.817  -1.570
    8    HG3  ARG   1          1HG       ARG   1   1.592   5.237  -0.886
    9    HD2  ARG   1          2HD       ARG   1   2.492   4.163  -2.892
   10    HD3  ARG   1          1HD       ARG   1   2.881   5.749  -3.553
   11    HE   ARG   1           HE       ARG   1   4.047   4.937  -0.999
   12   HH11  ARG   1          1HH1      ARG   1   4.534   5.830  -4.411
   13   HH12  ARG   1          2HH1      ARG   1   6.219   5.803  -4.320
   14   HH21  ARG   1          1HH2      ARG   1   6.343   4.889  -0.879
   15   HH22  ARG   1          2HH2      ARG   1   7.306   5.207  -2.242
   16    H    ASP   2           HN       ASP   2  -3.171   6.035  -1.138
   17    HA   ASP   2           HA       ASP   2  -2.362   5.054   1.482
   18    HB2  ASP   2          2HB       ASP   2  -5.086   5.928   0.482
   19    HB3  ASP   2          1HB       ASP   2  -4.802   5.202   2.059
   20    H    CYS   3           HN       CYS   3  -2.041   3.023   1.535
   21    HA   CYS   3           HA       CYS   3  -3.805   1.336  -0.022
   22    HB2  CYS   3          2HB       CYS   3  -0.857   1.006   0.368
   23    HB3  CYS   3          1HB       CYS   3  -1.894  -0.255  -0.312
   24    H    CYS   4           HN       CYS   4  -3.114   2.122   3.012
   25    HA   CYS   4           HA       CYS   4  -4.120  -0.483   3.869
   26    HB2  CYS   4          2HB       CYS   4  -2.882   1.764   5.455
   27    HB3  CYS   4          1HB       CYS   4  -3.758   0.443   6.226
   28    H    THR   5           HN       THR   5  -5.017   2.790   3.366
   29    HA   THR   5           HA       THR   5  -7.415   2.537   4.835
   30    HB   THR   5           HB       THR   5  -6.732   4.569   2.700
   31    HG1  THR   5          1HG       THR   5  -6.371   4.701   5.521
   32   HG21  THR   5          1HG2      THR   5  -9.070   4.420   3.401
   33   HG22  THR   5          2HG2      THR   5  -8.344   5.939   3.955
   34   HG23  THR   5          3HG2      THR   5  -8.579   4.588   5.078
   35    HA   HYP   6           HA       HYP   6  -9.231   0.330   1.371
   36    HB2  HYP   6          1HB       HYP   6 -10.595  -1.070   2.564
   37    HB3  HYP   6          2HB       HYP   6 -11.724   0.252   2.884
   38    HG   HYP   6           HG       HYP   6 -10.836  -0.209   5.064
   39   HD22  HYP   6          1HD1      HYP   6  -8.975   1.587   5.195
   40   HD23  HYP   6          2HD1      HYP   6 -10.495   2.143   4.436
   41    HD1  HYP   6          2HD       HYP   6  -8.269  -0.057   4.437
   42    HA   HYP   7           HA       HYP   7 -10.688  -0.433  -0.109
   43    HB2  HYP   7          1HB       HYP   7 -11.808  -0.573  -2.123
   44    HB3  HYP   7          2HB       HYP   7 -10.967   0.850  -2.771
   45    HG   HYP   7           HG       HYP   7 -13.202   1.622  -2.353
   46   HD22  HYP   7          1HD1      HYP   7 -12.710   2.862  -0.054
   47   HD23  HYP   7          2HD1      HYP   7 -11.547   3.131  -1.375
   48    HD1  HYP   7          2HD       HYP   7 -14.131   1.262  -0.358
   49    H    LYS   8           HN       LYS   8  -8.767  -1.054   0.059
   50    HA   LYS   8           HA       LYS   8  -6.631   0.636  -0.829
   51    HB2  LYS   8          2HB       LYS   8  -5.189  -1.073   0.364
   52    HB3  LYS   8          1HB       LYS   8  -6.231  -0.048   1.329
   53    HG2  LYS   8          2HG       LYS   8  -7.665  -1.738   1.815
   54    HG3  LYS   8          1HG       LYS   8  -7.100  -2.791   0.509
   55    HD2  LYS   8          2HD       LYS   8  -4.920  -2.983   1.725
   56    HD3  LYS   8          1HD       LYS   8  -5.557  -1.941   2.991
   57    HE2  LYS   8          2HE       LYS   8  -6.750  -4.602   2.239
   58    HE3  LYS   8          1HE       LYS   8  -5.555  -4.399   3.513
   59    HZ1  LYS   8          1HZ       LYS   8  -8.268  -3.157   3.461
   60    HZ2  LYS   8          2HZ       LYS   8  -7.107  -2.965   4.682
   61    HZ3  LYS   8          3HZ       LYS   8  -7.773  -4.466   4.393
   62    H    LYS   9           HN       LYS   9  -5.116   0.171  -2.187
   63    HA   LYS   9           HA       LYS   9  -5.597  -2.079  -3.987
   64    HB2  LYS   9          2HB       LYS   9  -4.525   0.681  -4.622
   65    HB3  LYS   9          1HB       LYS   9  -4.748  -0.618  -5.790
   66    HG2  LYS   9          2HG       LYS   9  -7.121  -0.559  -5.503
   67    HG3  LYS   9          1HG       LYS   9  -6.979   0.574  -4.162
   68    HD2  LYS   9          2HD       LYS   9  -6.056   2.250  -5.707
   69    HD3  LYS   9          1HD       LYS   9  -6.248   1.107  -7.038
   70    HE2  LYS   9          2HE       LYS   9  -8.095   2.722  -6.942
   71    HE3  LYS   9          1HE       LYS   9  -8.654   1.071  -6.701
   72    HZ1  LYS   9          1HZ       LYS   9  -9.695   2.617  -5.149
   73    HZ2  LYS   9          2HZ       LYS   9  -8.199   3.074  -4.545
   74    HZ3  LYS   9          3HZ       LYS   9  -8.758   1.496  -4.316
   75    H    CYS  10           HN       CYS  10  -4.050  -3.516  -3.569
   76    HA   CYS  10           HA       CYS  10  -1.430  -2.603  -2.601
   77    HB2  CYS  10          2HB       CYS  10  -2.799  -4.194  -1.226
   78    HB3  CYS  10          1HB       CYS  10  -2.665  -5.356  -2.537
   79    H    LYS  11           HN       LYS  11  -2.770  -3.161  -5.398
   80    HA   LYS  11           HA       LYS  11  -1.448  -5.164  -6.766
   81    HB2  LYS  11          2HB       LYS  11  -3.387  -4.003  -7.660
   82    HB3  LYS  11          1HB       LYS  11  -2.446  -2.527  -7.824
   83    HG2  LYS  11          2HG       LYS  11  -1.013  -3.644  -9.473
   84    HG3  LYS  11          1HG       LYS  11  -1.979  -5.105  -9.309
   85    HD2  LYS  11          2HD       LYS  11  -2.659  -3.893 -11.286
   86    HD3  LYS  11          1HD       LYS  11  -3.957  -3.847 -10.096
   87    HE2  LYS  11          2HE       LYS  11  -3.359  -1.575  -9.485
   88    HE3  LYS  11          1HE       LYS  11  -1.954  -1.627 -10.551
   89    HZ1  LYS  11          1HZ       LYS  11  -4.797  -1.793 -11.398
   90    HZ2  LYS  11          2HZ       LYS  11  -3.475  -1.897 -12.420
   91    HZ3  LYS  11          3HZ       LYS  11  -3.780  -0.459 -11.604
   92    H    ASP  12           HN       ASP  12  -0.277  -1.895  -6.091
   93    HA   ASP  12           HA       ASP  12   1.969  -2.477  -7.878
   94    HB2  ASP  12          2HB       ASP  12   0.643  -0.466  -8.455
   95    HB3  ASP  12          1HB       ASP  12   1.082   0.251  -6.914
   96    H    ARG  13           HN       ARG  13   3.987  -2.238  -7.308
   97    HA   ARG  13           HA       ARG  13   4.953  -2.966  -4.831
   98    HB2  ARG  13          2HB       ARG  13   7.166  -2.309  -5.703
   99    HB3  ARG  13          1HB       ARG  13   6.232  -3.240  -6.868
  100    HG2  ARG  13          2HG       ARG  13   5.618  -1.175  -8.030
  101    HG3  ARG  13          1HG       ARG  13   6.545  -0.246  -6.859
  102    HD2  ARG  13          2HD       ARG  13   8.585  -1.386  -7.586
  103    HD3  ARG  13          1HD       ARG  13   7.643  -2.308  -8.762
  104    HE   ARG  13           HE       ARG  13   7.034   0.256  -9.316
  105   HH11  ARG  13          1HH1      ARG  13  10.098  -1.529  -9.127
  106   HH12  ARG  13          2HH1      ARG  13  10.923  -0.562 -10.236
  107   HH21  ARG  13          1HH2      ARG  13   8.183   1.627 -10.895
  108   HH22  ARG  13          2HH2      ARG  13   9.799   1.261 -11.283
  109    H    ARG  14           HN       ARG  14   4.147   0.224  -5.946
  110    HA   ARG  14           HA       ARG  14   5.676   1.824  -4.270
  111    HB2  ARG  14          2HB       ARG  14   3.975   3.549  -4.610
  112    HB3  ARG  14          1HB       ARG  14   4.311   2.702  -6.111
  113    HG2  ARG  14          2HG       ARG  14   2.275   1.309  -5.674
  114    HG3  ARG  14          1HG       ARG  14   1.902   2.391  -4.335
  115    HD2  ARG  14          2HD       ARG  14   1.844   4.282  -5.882
  116    HD3  ARG  14          1HD       ARG  14   2.214   3.195  -7.225
  117    HE   ARG  14           HE       ARG  14  -0.186   2.744  -5.612
  118   HH11  ARG  14          1HH1      ARG  14   1.223   3.544  -8.800
  119   HH12  ARG  14          2HH1      ARG  14  -0.287   3.521  -9.577
  120   HH21  ARG  14          1HH2      ARG  14  -2.173   2.694  -6.709
  121   HH22  ARG  14          2HH2      ARG  14  -2.259   2.984  -8.381
  122    H    CYS  15           HN       CYS  15   2.886  -0.116  -3.553
  123    HA   CYS  15           HA       CYS  15   2.727   1.075  -0.897
  124    HB2  CYS  15          2HB       CYS  15   0.768  -0.580  -2.453
  125    HB3  CYS  15          1HB       CYS  15   0.532  -0.116  -0.768
  126    H    LYS  16           HN       LYS  16   4.525  -1.082  -2.097
  127    HA   LYS  16           HA       LYS  16   3.898  -3.355  -0.422
  128    HB2  LYS  16          2HB       LYS  16   4.838  -3.623  -2.723
  129    HB3  LYS  16          1HB       LYS  16   6.346  -2.931  -2.154
  130    HG2  LYS  16          2HG       LYS  16   6.644  -4.798  -0.620
  131    HG3  LYS  16          1HG       LYS  16   5.103  -5.481  -1.130
  132    HD2  LYS  16          2HD       LYS  16   7.498  -5.034  -2.915
  133    HD3  LYS  16          1HD       LYS  16   7.044  -6.580  -2.208
  134    HE2  LYS  16          2HE       LYS  16   5.392  -4.973  -4.182
  135    HE3  LYS  16          1HE       LYS  16   6.314  -6.424  -4.541
  136    HZ1  LYS  16          1HZ       LYS  16   3.944  -6.893  -4.226
  137    HZ2  LYS  16          2HZ       LYS  16   4.009  -6.296  -2.666
  138    HZ3  LYS  16          3HZ       LYS  16   4.871  -7.683  -3.069
  139    HA   HYP  17           HA       HYP  17   7.508  -1.440   2.211
  140    HB2  HYP  17          1HB       HYP  17   8.466   0.451   1.186
  141    HB3  HYP  17          2HB       HYP  17   7.405   1.320   2.310
  142    HG   HYP  17           HG       HYP  17   5.671   1.468   0.697
  143   HD22  HYP  17          1HD1      HYP  17   7.368  -0.493  -0.864
  144   HD23  HYP  17          2HD1      HYP  17   5.662  -0.075  -1.156
  145    HD1  HYP  17          2HD       HYP  17   6.494   2.075  -1.155
  146    H    LEU  18           HN       LEU  18   4.339  -0.428   1.648
  147    HA   LEU  18           HA       LEU  18   3.765   0.725   4.207
  148    HB2  LEU  18          2HB       LEU  18   1.980  -0.157   1.939
  149    HB3  LEU  18          1HB       LEU  18   1.410   0.725   3.335
  150    HG   LEU  18           HG       LEU  18   3.328   1.743   1.226
  151   HD11  LEU  18          1HD1      LEU  18   1.047   1.668   0.463
  152   HD12  LEU  18          2HD1      LEU  18   1.523   3.340   0.754
  153   HD13  LEU  18          3HD1      LEU  18   0.494   2.501   1.914
  154   HD21  LEU  18          1HD2      LEU  18   3.930   2.652   3.398
  155   HD22  LEU  18          2HD2      LEU  18   2.254   3.107   3.696
  156   HD23  LEU  18          3HD2      LEU  18   3.167   3.898   2.413
  157    H    LYS  19           HN       LYS  19   2.675  -0.225   5.851
  158    HA   LYS  19           HA       LYS  19   3.521  -2.687   6.635
  159    HB2  LYS  19          2HB       LYS  19   2.668  -1.007   8.162
  160    HB3  LYS  19          1HB       LYS  19   1.035  -1.267   7.568
  161    HG2  LYS  19          2HG       LYS  19   1.147  -3.590   8.392
  162    HG3  LYS  19          1HG       LYS  19   2.750  -3.241   9.039
  163    HD2  LYS  19          2HD       LYS  19   1.811  -1.509  10.461
  164    HD3  LYS  19          1HD       LYS  19   0.209  -1.829   9.807
  165    HE2  LYS  19          2HE       LYS  19   0.451  -2.924  11.942
  166    HE3  LYS  19          1HE       LYS  19   0.338  -4.130  10.665
  167    HZ1  LYS  19          1HZ       LYS  19   2.731  -4.447  10.772
  168    HZ2  LYS  19          2HZ       LYS  19   2.085  -4.591  12.340
  169    HZ3  LYS  19          3HZ       LYS  19   2.861  -3.188  11.879
  170    H    CYS  20           HN       CYS  20   0.372  -2.018   5.184
  171    HA   CYS  20           HA       CYS  20  -0.703  -4.593   5.583
  172    HB2  CYS  20          2HB       CYS  20  -1.463  -2.521   3.535
  173    HB3  CYS  20          1HB       CYS  20  -2.455  -3.880   4.059
  174    H    CYS  21           HN       CYS  21   1.648  -3.531   3.308
  175    HA   CYS  21           HA       CYS  21   1.156  -5.961   1.762
  176    HB2  CYS  21          2HB       CYS  21   1.973  -3.265   0.705
  177    HB3  CYS  21          1HB       CYS  21   1.911  -4.745  -0.245
  178    H    ALA  22           HN       ALA  22   3.088  -4.870   3.963
  179    HA   ALA  22           HA       ALA  22   5.630  -5.089   2.610
  180    HB1  ALA  22          2HB       ALA  22   6.614  -4.599   4.789
  181    HB2  ALA  22          3HB       ALA  22   5.032  -4.750   5.551
  182    HB3  ALA  22          1HB       ALA  22   5.339  -3.441   4.409
  183    HN1  NH2  23          2H        ALA  22   5.685  -8.570   2.918
  184    HN2  NH2  23          1H        ALA  22   5.436  -7.212   1.875
  Start of MODEL   13
    1    H1   ARG   1          1HT       ARG   1   2.802   8.119  -0.232
    2    H2   ARG   1          2HT       ARG   1   2.426   6.968   0.946
    3    H3   ARG   1          3HT       ARG   1   1.391   8.255   0.670
    4    HA   ARG   1           HA       ARG   1   0.811   7.492  -1.449
    5    HB2  ARG   1          2HB       ARG   1   2.955   6.420  -2.061
    6    HB3  ARG   1          1HB       ARG   1   2.683   5.182  -0.850
    7    HG2  ARG   1          2HG       ARG   1   2.216   4.378  -3.113
    8    HG3  ARG   1          1HG       ARG   1   0.779   4.340  -2.094
    9    HD2  ARG   1          2HD       ARG   1  -0.049   6.361  -3.112
   10    HD3  ARG   1          1HD       ARG   1   1.426   6.542  -4.058
   11    HE   ARG   1           HE       ARG   1   0.786   4.459  -5.190
   12   HH11  ARG   1          1HH1      ARG   1  -1.830   6.263  -3.560
   13   HH12  ARG   1          2HH1      ARG   1  -3.017   5.763  -4.650
   14   HH21  ARG   1          1HH2      ARG   1  -0.859   3.813  -6.683
   15   HH22  ARG   1          2HH2      ARG   1  -2.466   4.334  -6.480
   16    H    ASP   2           HN       ASP   2  -1.179   7.300  -0.695
   17    HA   ASP   2           HA       ASP   2  -1.799   5.486   1.409
   18    HB2  ASP   2          2HB       ASP   2  -3.497   7.318  -0.258
   19    HB3  ASP   2          1HB       ASP   2  -4.214   6.147   0.841
   20    H    CYS   3           HN       CYS   3  -1.779   3.525   1.074
   21    HA   CYS   3           HA       CYS   3  -3.044   2.456  -1.341
   22    HB2  CYS   3          2HB       CYS   3  -0.694   1.880  -1.196
   23    HB3  CYS   3          1HB       CYS   3  -0.921   1.261   0.432
   24    H    CYS   4           HN       CYS   4  -2.869   2.402   2.137
   25    HA   CYS   4           HA       CYS   4  -4.568   0.140   2.429
   26    HB2  CYS   4          2HB       CYS   4  -3.549   2.114   4.469
   27    HB3  CYS   4          1HB       CYS   4  -4.366   0.594   4.828
   28    H    THR   5           HN       THR   5  -5.572   2.611   1.062
   29    HA   THR   5           HA       THR   5  -7.681   3.547   2.718
   30    HB   THR   5           HB       THR   5  -7.446   3.724  -0.294
   31    HG1  THR   5          1HG       THR   5  -6.101   5.063   1.798
   32   HG21  THR   5          1HG2      THR   5  -8.735   5.485   1.780
   33   HG22  THR   5          2HG2      THR   5  -9.584   4.345   0.754
   34   HG23  THR   5          3HG2      THR   5  -8.788   5.760   0.029
   35    HA   HYP   6           HA       HYP   6  -9.691  -0.422   1.944
   36    HB2  HYP   6          1HB       HYP   6 -10.678  -0.593   3.989
   37    HB3  HYP   6          2HB       HYP   6 -11.977   0.481   3.455
   38    HG   HYP   6           HG       HYP   6 -10.928   1.838   5.136
   39   HD22  HYP   6          1HD1      HYP   6  -9.246   3.220   3.724
   40   HD23  HYP   6          2HD1      HYP   6 -10.850   2.997   2.970
   41    HD1  HYP   6          2HD       HYP   6  -8.432   1.500   4.267
   42    HA   HYP   7           HA       HYP   7 -10.700  -2.043   1.195
   43    HB2  HYP   7          1HB       HYP   7 -12.200  -3.339   0.034
   44    HB3  HYP   7          2HB       HYP   7 -11.358  -2.901  -1.455
   45    HG   HYP   7           HG       HYP   7 -13.428  -1.912  -1.920
   46   HD22  HYP   7          1HD1      HYP   7 -13.295   0.478  -0.707
   47   HD23  HYP   7          2HD1      HYP   7 -11.975   0.029  -1.814
   48    HD1  HYP   7          2HD       HYP   7 -14.533  -0.900  -0.100
   49    H    LYS   8           HN       LYS   8  -8.719  -2.348   1.068
   50    HA   LYS   8           HA       LYS   8  -7.202  -0.850  -0.883
   51    HB2  LYS   8          2HB       LYS   8  -5.293  -1.508   0.616
   52    HB3  LYS   8          1HB       LYS   8  -6.493  -0.413   1.299
   53    HG2  LYS   8          2HG       LYS   8  -7.479  -2.139   2.530
   54    HG3  LYS   8          1HG       LYS   8  -6.533  -3.379   1.730
   55    HD2  LYS   8          2HD       LYS   8  -4.470  -2.251   2.748
   56    HD3  LYS   8          1HD       LYS   8  -5.579  -1.194   3.618
   57    HE2  LYS   8          2HE       LYS   8  -4.826  -2.983   5.061
   58    HE3  LYS   8          1HE       LYS   8  -6.551  -3.146   4.742
   59    HZ1  LYS   8          1HZ       LYS   8  -4.381  -4.664   3.412
   60    HZ2  LYS   8          2HZ       LYS   8  -6.022  -4.826   3.074
   61    HZ3  LYS   8          3HZ       LYS   8  -5.427  -5.276   4.578
   62    H    LYS   9           HN       LYS   9  -5.725  -1.736  -2.230
   63    HA   LYS   9           HA       LYS   9  -5.318  -4.603  -2.127
   64    HB2  LYS   9          2HB       LYS   9  -5.573  -4.890  -4.523
   65    HB3  LYS   9          1HB       LYS   9  -7.045  -4.158  -3.918
   66    HG2  LYS   9          2HG       LYS   9  -6.355  -1.985  -4.799
   67    HG3  LYS   9          1HG       LYS   9  -4.810  -2.658  -5.287
   68    HD2  LYS   9          2HD       LYS   9  -6.238  -2.483  -7.225
   69    HD3  LYS   9          1HD       LYS   9  -6.005  -4.184  -6.839
   70    HE2  LYS   9          2HE       LYS   9  -8.314  -3.787  -7.421
   71    HE3  LYS   9          1HE       LYS   9  -8.209  -4.193  -5.713
   72    HZ1  LYS   9          1HZ       LYS   9  -9.702  -2.369  -6.064
   73    HZ2  LYS   9          2HZ       LYS   9  -8.530  -1.460  -6.853
   74    HZ3  LYS   9          3HZ       LYS   9  -8.369  -1.806  -5.206
   75    H    CYS  10           HN       CYS  10  -3.237  -5.076  -2.375
   76    HA   CYS  10           HA       CYS  10  -1.395  -2.899  -2.763
   77    HB2  CYS  10          2HB       CYS  10  -0.901  -5.843  -2.359
   78    HB3  CYS  10          1HB       CYS  10   0.354  -4.619  -2.442
   79    H    LYS  11           HN       LYS  11  -1.973  -2.361  -4.854
   80    HA   LYS  11           HA       LYS  11  -0.975  -4.248  -6.868
   81    HB2  LYS  11          2HB       LYS  11  -3.351  -3.803  -7.132
   82    HB3  LYS  11          1HB       LYS  11  -3.053  -2.076  -7.159
   83    HG2  LYS  11          2HG       LYS  11  -1.787  -2.343  -9.240
   84    HG3  LYS  11          1HG       LYS  11  -2.133  -4.072  -9.211
   85    HD2  LYS  11          2HD       LYS  11  -4.500  -3.639  -9.398
   86    HD3  LYS  11          1HD       LYS  11  -4.222  -1.898  -9.294
   87    HE2  LYS  11          2HE       LYS  11  -2.903  -1.994 -11.348
   88    HE3  LYS  11          1HE       LYS  11  -3.201  -3.727 -11.452
   89    HZ1  LYS  11          1HZ       LYS  11  -5.301  -1.637 -11.519
   90    HZ2  LYS  11          2HZ       LYS  11  -5.539  -3.291 -11.721
   91    HZ3  LYS  11          3HZ       LYS  11  -4.666  -2.415 -12.863
   92    H    ASP  12           HN       ASP  12  -0.841  -1.010  -5.623
   93    HA   ASP  12           HA       ASP  12   0.854  -0.021  -7.729
   94    HB2  ASP  12          2HB       ASP  12  -0.701   1.374  -6.254
   95    HB3  ASP  12          1HB       ASP  12   0.482   1.147  -4.969
   96    H    ARG  13           HN       ARG  13   3.085   0.043  -7.679
   97    HA   ARG  13           HA       ARG  13   4.414  -1.879  -6.092
   98    HB2  ARG  13          2HB       ARG  13   5.654   0.399  -7.605
   99    HB3  ARG  13          1HB       ARG  13   6.456  -1.061  -7.039
  100    HG2  ARG  13          2HG       ARG  13   4.956  -2.377  -8.544
  101    HG3  ARG  13          1HG       ARG  13   4.355  -0.849  -9.181
  102    HD2  ARG  13          2HD       ARG  13   6.081  -1.700 -10.636
  103    HD3  ARG  13          1HD       ARG  13   6.650  -0.237  -9.826
  104    HE   ARG  13           HE       ARG  13   7.352  -2.551  -8.377
  105   HH11  ARG  13          1HH1      ARG  13   8.340  -0.574 -11.122
  106   HH12  ARG  13          2HH1      ARG  13   9.921  -1.182 -11.206
  107   HH21  ARG  13          1HH2      ARG  13   9.520  -3.401  -8.458
  108   HH22  ARG  13          2HH2      ARG  13  10.629  -2.848  -9.630
  109    H    ARG  14           HN       ARG  14   3.855   1.517  -5.690
  110    HA   ARG  14           HA       ARG  14   5.877   1.975  -3.724
  111    HB2  ARG  14          2HB       ARG  14   3.408   3.506  -4.505
  112    HB3  ARG  14          1HB       ARG  14   4.589   4.093  -3.337
  113    HG2  ARG  14          2HG       ARG  14   6.253   4.291  -5.016
  114    HG3  ARG  14          1HG       ARG  14   5.281   3.374  -6.170
  115    HD2  ARG  14          2HD       ARG  14   4.480   6.030  -5.003
  116    HD3  ARG  14          1HD       ARG  14   5.254   5.832  -6.579
  117    HE   ARG  14           HE       ARG  14   3.021   4.153  -6.452
  118   HH11  ARG  14          1HH1      ARG  14   3.602   7.675  -6.493
  119   HH12  ARG  14          2HH1      ARG  14   2.199   8.002  -7.413
  120   HH21  ARG  14          1HH2      ARG  14   1.136   4.656  -7.707
  121   HH22  ARG  14          2HH2      ARG  14   0.797   6.276  -8.134
  122    H    CYS  15           HN       CYS  15   3.050   0.242  -3.661
  123    HA   CYS  15           HA       CYS  15   2.324   0.829  -0.927
  124    HB2  CYS  15          2HB       CYS  15   0.565   0.433  -2.570
  125    HB3  CYS  15          1HB       CYS  15   1.263  -1.123  -2.977
  126    H    LYS  16           HN       LYS  16   4.486  -1.177  -2.635
  127    HA   LYS  16           HA       LYS  16   4.174  -3.495  -1.001
  128    HB2  LYS  16          2HB       LYS  16   4.924  -3.756  -3.282
  129    HB3  LYS  16          1HB       LYS  16   6.339  -2.768  -2.964
  130    HG2  LYS  16          2HG       LYS  16   7.332  -4.450  -1.631
  131    HG3  LYS  16          1HG       LYS  16   5.827  -5.367  -1.554
  132    HD2  LYS  16          2HD       LYS  16   7.401  -6.397  -3.119
  133    HD3  LYS  16          1HD       LYS  16   5.953  -5.805  -3.928
  134    HE2  LYS  16          2HE       LYS  16   7.201  -3.792  -4.626
  135    HE3  LYS  16          1HE       LYS  16   8.647  -4.455  -3.858
  136    HZ1  LYS  16          1HZ       LYS  16   7.140  -5.715  -6.062
  137    HZ2  LYS  16          2HZ       LYS  16   8.561  -6.317  -5.388
  138    HZ3  LYS  16          3HZ       LYS  16   8.577  -4.864  -6.251
  139    HA   HYP  17           HA       HYP  17   8.144  -1.726   1.357
  140    HB2  HYP  17          1HB       HYP  17   8.956   0.161   0.207
  141    HB3  HYP  17          2HB       HYP  17   8.117   1.005   1.529
  142    HG   HYP  17           HG       HYP  17   6.116   1.156   0.265
  143   HD22  HYP  17          1HD1      HYP  17   7.605  -0.645  -1.663
  144   HD23  HYP  17          2HD1      HYP  17   5.866  -0.242  -1.697
  145    HD1  HYP  17          2HD       HYP  17   6.563   1.916  -1.588
  146    H    LEU  18           HN       LEU  18   4.847  -1.044   1.398
  147    HA   LEU  18           HA       LEU  18   4.811   0.228   4.002
  148    HB2  LEU  18          2HB       LEU  18   2.511  -0.625   2.245
  149    HB3  LEU  18          1HB       LEU  18   2.403   0.372   3.679
  150    HG   LEU  18           HG       LEU  18   3.711   1.145   1.065
  151   HD11  LEU  18          1HD1      LEU  18   1.278   1.112   0.979
  152   HD12  LEU  18          2HD1      LEU  18   1.899   2.760   0.911
  153   HD13  LEU  18          3HD1      LEU  18   1.205   2.140   2.409
  154   HD21  LEU  18          1HD2      LEU  18   3.985   3.344   2.063
  155   HD22  LEU  18          2HD2      LEU  18   4.886   2.131   2.971
  156   HD23  LEU  18          3HD2      LEU  18   3.350   2.745   3.594
  157    H    LYS  19           HN       LYS  19   4.606  -0.862   5.789
  158    HA   LYS  19           HA       LYS  19   4.550  -3.712   5.761
  159    HB2  LYS  19          2HB       LYS  19   4.287  -1.830   8.108
  160    HB3  LYS  19          1HB       LYS  19   4.680  -3.544   8.177
  161    HG2  LYS  19          2HG       LYS  19   6.755  -3.074   6.895
  162    HG3  LYS  19          1HG       LYS  19   6.362  -1.360   6.966
  163    HD2  LYS  19          2HD       LYS  19   7.958  -1.887   8.688
  164    HD3  LYS  19          1HD       LYS  19   6.412  -1.483   9.430
  165    HE2  LYS  19          2HE       LYS  19   7.431  -3.430  10.511
  166    HE3  LYS  19          1HE       LYS  19   5.919  -3.870   9.733
  167    HZ1  LYS  19          1HZ       LYS  19   8.656  -4.361   8.695
  168    HZ2  LYS  19          2HZ       LYS  19   7.264  -4.679   7.827
  169    HZ3  LYS  19          3HZ       LYS  19   7.567  -5.521   9.255
  170    H    CYS  20           HN       CYS  20   2.292  -1.207   6.055
  171    HA   CYS  20           HA       CYS  20   0.095  -2.569   7.151
  172    HB2  CYS  20          2HB       CYS  20   0.121  -0.163   7.013
  173    HB3  CYS  20          1HB       CYS  20   0.316  -0.215   5.270
  174    H    CYS  21           HN       CYS  21   1.601  -2.652   4.030
  175    HA   CYS  21           HA       CYS  21  -0.673  -3.763   2.660
  176    HB2  CYS  21          2HB       CYS  21   0.724  -2.387   1.323
  177    HB3  CYS  21          1HB       CYS  21   2.176  -3.173   1.915
  178    H    ALA  22           HN       ALA  22   2.556  -4.840   3.652
  179    HA   ALA  22           HA       ALA  22   1.843  -7.587   3.043
  180    HB1  ALA  22          2HB       ALA  22   4.457  -6.415   4.001
  181    HB2  ALA  22          3HB       ALA  22   4.036  -6.742   2.321
  182    HB3  ALA  22          1HB       ALA  22   4.204  -8.075   3.463
  183    HN1  NH2  23          2H        ALA  22   0.760  -8.067   6.329
  184    HN2  NH2  23          1H        ALA  22   0.322  -7.860   4.667
  Start of MODEL   14
    1    H1   ARG   1          1HT       ARG   1  -1.181   8.643  -3.241
    2    H2   ARG   1          2HT       ARG   1  -0.864   9.794  -2.069
    3    H3   ARG   1          3HT       ARG   1  -1.778  10.225  -3.423
    4    HA   ARG   1           HA       ARG   1  -3.116   9.918  -1.429
    5    HB2  ARG   1          2HB       ARG   1  -4.765   8.383  -2.389
    6    HB3  ARG   1          1HB       ARG   1  -4.087   9.389  -3.653
    7    HG2  ARG   1          2HG       ARG   1  -2.640   7.528  -4.336
    8    HG3  ARG   1          1HG       ARG   1  -3.351   6.528  -3.066
    9    HD2  ARG   1          2HD       ARG   1  -4.819   7.777  -5.380
   10    HD3  ARG   1          1HD       ARG   1  -4.389   6.076  -5.232
   11    HE   ARG   1           HE       ARG   1  -5.831   6.579  -2.999
   12   HH11  ARG   1          1HH1      ARG   1  -6.450   6.987  -6.455
   13   HH12  ARG   1          2HH1      ARG   1  -8.131   6.807  -6.335
   14   HH21  ARG   1          1HH2      ARG   1  -8.166   6.344  -2.808
   15   HH22  ARG   1          2HH2      ARG   1  -9.130   6.497  -4.194
   16    H    ASP   2           HN       ASP   2  -3.933   8.347   0.155
   17    HA   ASP   2           HA       ASP   2  -1.779   6.677   1.085
   18    HB2  ASP   2          2HB       ASP   2  -4.592   6.940   2.176
   19    HB3  ASP   2          1HB       ASP   2  -3.305   6.034   2.938
   20    H    CYS   3           HN       CYS   3  -1.421   4.823   0.189
   21    HA   CYS   3           HA       CYS   3  -3.330   3.378  -1.328
   22    HB2  CYS   3          2HB       CYS   3  -0.885   3.303  -1.754
   23    HB3  CYS   3          1HB       CYS   3  -0.661   2.462  -0.228
   24    H    CYS   4           HN       CYS   4  -2.388   3.401   1.986
   25    HA   CYS   4           HA       CYS   4  -3.362   0.814   2.661
   26    HB2  CYS   4          2HB       CYS   4  -2.692   3.184   4.394
   27    HB3  CYS   4          1HB       CYS   4  -3.048   1.564   4.984
   28    H    THR   5           HN       THR   5  -5.042   3.686   1.953
   29    HA   THR   5           HA       THR   5  -7.094   3.392   3.836
   30    HB   THR   5           HB       THR   5  -7.296   4.661   1.086
   31    HG1  THR   5          1HG       THR   5  -6.298   5.514   3.583
   32   HG21  THR   5          1HG2      THR   5  -9.420   4.217   2.189
   33   HG22  THR   5          2HG2      THR   5  -9.111   5.968   2.183
   34   HG23  THR   5          3HG2      THR   5  -8.838   4.997   3.646
   35    HA   HYP   6           HA       HYP   6  -8.593  -0.413   1.999
   36    HB2  HYP   6          1HB       HYP   6  -9.658  -1.367   3.796
   37    HB3  HYP   6          2HB       HYP   6 -10.885  -0.089   3.820
   38    HG   HYP   6           HG       HYP   6  -9.523   0.293   5.802
   39   HD22  HYP   6          1HD1      HYP   6  -8.217   2.317   4.883
   40   HD23  HYP   6          2HD1      HYP   6  -9.920   2.266   4.340
   41    HD1  HYP   6          2HD       HYP   6  -7.285   0.635   4.445
   42    HA   HYP   7           HA       HYP   7  -9.709  -1.975   0.867
   43    HB2  HYP   7          1HB       HYP   7 -10.760  -2.872  -0.947
   44    HB3  HYP   7          2HB       HYP   7  -9.875  -1.777  -2.021
   45    HG   HYP   7           HG       HYP   7 -12.092  -0.973  -2.279
   46   HD22  HYP   7          1HD1      HYP   7 -12.178   0.914  -0.425
   47   HD23  HYP   7          2HD1      HYP   7 -10.726   0.890  -1.464
   48    HD1  HYP   7          2HD       HYP   7 -12.487  -1.124   0.443
   49    H    LYS   8           HN       LYS   8  -7.661  -2.063   1.175
   50    HA   LYS   8           HA       LYS   8  -5.827  -0.369  -0.307
   51    HB2  LYS   8          2HB       LYS   8  -4.160  -1.399   1.390
   52    HB3  LYS   8          1HB       LYS   8  -5.322  -0.202   1.956
   53    HG2  LYS   8          2HG       LYS   8  -6.724  -1.837   2.765
   54    HG3  LYS   8          1HG       LYS   8  -5.744  -3.159   2.137
   55    HD2  LYS   8          2HD       LYS   8  -3.931  -2.460   3.673
   56    HD3  LYS   8          1HD       LYS   8  -4.940  -1.129   4.247
   57    HE2  LYS   8          2HE       LYS   8  -5.510  -4.080   4.536
   58    HE3  LYS   8          1HE       LYS   8  -5.026  -2.977   5.822
   59    HZ1  LYS   8          1HZ       LYS   8  -7.114  -1.724   5.394
   60    HZ2  LYS   8          2HZ       LYS   8  -7.367  -3.286   5.939
   61    HZ3  LYS   8          3HZ       LYS   8  -7.594  -2.933   4.313
   62    H    LYS   9           HN       LYS   9  -5.104  -1.120  -2.052
   63    HA   LYS   9           HA       LYS   9  -4.924  -4.015  -2.415
   64    HB2  LYS   9          2HB       LYS   9  -4.963  -1.828  -4.494
   65    HB3  LYS   9          1HB       LYS   9  -4.909  -3.551  -4.822
   66    HG2  LYS   9          2HG       LYS   9  -7.167  -2.038  -3.518
   67    HG3  LYS   9          1HG       LYS   9  -7.152  -2.717  -5.146
   68    HD2  LYS   9          2HD       LYS   9  -6.875  -4.967  -4.156
   69    HD3  LYS   9          1HD       LYS   9  -7.004  -4.251  -2.551
   70    HE2  LYS   9          2HE       LYS   9  -9.246  -3.416  -3.139
   71    HE3  LYS   9          1HE       LYS   9  -9.100  -4.216  -4.705
   72    HZ1  LYS   9          1HZ       LYS   9 -10.334  -5.580  -3.178
   73    HZ2  LYS   9          2HZ       LYS   9  -9.084  -5.547  -2.060
   74    HZ3  LYS   9          3HZ       LYS   9  -8.873  -6.329  -3.526
   75    H    CYS  10           HN       CYS  10  -2.977  -4.767  -1.968
   76    HA   CYS  10           HA       CYS  10  -0.661  -3.162  -2.532
   77    HB2  CYS  10          2HB       CYS  10  -0.608  -4.664  -0.547
   78    HB3  CYS  10          1HB       CYS  10  -0.791  -6.058  -1.609
   79    H    LYS  11           HN       LYS  11  -1.125  -2.874  -4.625
   80    HA   LYS  11           HA       LYS  11  -0.311  -5.088  -6.380
   81    HB2  LYS  11          2HB       LYS  11  -2.707  -4.623  -6.653
   82    HB3  LYS  11          1HB       LYS  11  -2.351  -2.931  -6.967
   83    HG2  LYS  11          2HG       LYS  11  -1.163  -3.537  -8.990
   84    HG3  LYS  11          1HG       LYS  11  -1.461  -5.245  -8.666
   85    HD2  LYS  11          2HD       LYS  11  -3.874  -4.841  -8.834
   86    HD3  LYS  11          1HD       LYS  11  -3.559  -3.139  -9.175
   87    HE2  LYS  11          2HE       LYS  11  -3.986  -4.443 -11.224
   88    HE3  LYS  11          1HE       LYS  11  -2.378  -3.723 -11.205
   89    HZ1  LYS  11          1HZ       LYS  11  -1.440  -5.834 -10.604
   90    HZ2  LYS  11          2HZ       LYS  11  -2.374  -6.054 -11.970
   91    HZ3  LYS  11          3HZ       LYS  11  -2.959  -6.540 -10.466
   92    H    ASP  12           HN       ASP  12  -0.393  -1.619  -5.794
   93    HA   ASP  12           HA       ASP  12   1.476  -1.067  -7.900
   94    HB2  ASP  12          2HB       ASP  12  -0.254   0.584  -7.093
   95    HB3  ASP  12          1HB       ASP  12   0.644   0.703  -5.585
   96    H    ARG  13           HN       ARG  13   3.628  -0.666  -7.635
   97    HA   ARG  13           HA       ARG  13   5.034  -2.180  -5.744
   98    HB2  ARG  13          2HB       ARG  13   6.041   0.093  -7.442
   99    HB3  ARG  13          1HB       ARG  13   7.031  -1.061  -6.566
  100    HG2  ARG  13          2HG       ARG  13   6.344  -2.865  -7.936
  101    HG3  ARG  13          1HG       ARG  13   5.048  -1.905  -8.653
  102    HD2  ARG  13          2HD       ARG  13   7.984  -1.306  -8.963
  103    HD3  ARG  13          1HD       ARG  13   7.021  -2.199 -10.142
  104    HE   ARG  13           HE       ARG  13   5.798   0.262  -9.533
  105   HH11  ARG  13          1HH1      ARG  13   8.580  -0.988 -11.335
  106   HH12  ARG  13          2HH1      ARG  13   8.579   0.266 -12.488
  107   HH21  ARG  13          1HH2      ARG  13   5.792   1.992 -11.131
  108   HH22  ARG  13          2HH2      ARG  13   6.970   2.016 -12.333
  109    H    ARG  14           HN       ARG  14   4.002   1.151  -5.650
  110    HA   ARG  14           HA       ARG  14   5.748   2.030  -3.589
  111    HB2  ARG  14          2HB       ARG  14   3.088   3.028  -4.569
  112    HB3  ARG  14          1HB       ARG  14   4.012   3.843  -3.318
  113    HG2  ARG  14          2HG       ARG  14   5.765   4.343  -4.816
  114    HG3  ARG  14          1HG       ARG  14   5.114   3.259  -6.051
  115    HD2  ARG  14          2HD       ARG  14   3.712   5.714  -5.018
  116    HD3  ARG  14          1HD       ARG  14   4.675   5.665  -6.497
  117    HE   ARG  14           HE       ARG  14   2.853   3.605  -6.651
  118   HH11  ARG  14          1HH1      ARG  14   2.696   7.142  -6.476
  119   HH12  ARG  14          2HH1      ARG  14   1.281   7.244  -7.427
  120   HH21  ARG  14          1HH2      ARG  14   1.001   3.774  -7.974
  121   HH22  ARG  14          2HH2      ARG  14   0.295   5.297  -8.312
  122    H    CYS  15           HN       CYS  15   3.020   0.016  -3.596
  123    HA   CYS  15           HA       CYS  15   2.335   0.584  -0.841
  124    HB2  CYS  15          2HB       CYS  15   1.112  -1.405  -2.752
  125    HB3  CYS  15          1HB       CYS  15   0.432  -0.847  -1.226
  126    H    LYS  16           HN       LYS  16   4.618  -1.252  -2.418
  127    HA   LYS  16           HA       LYS  16   4.214  -3.718  -0.987
  128    HB2  LYS  16          2HB       LYS  16   5.199  -3.755  -3.231
  129    HB3  LYS  16          1HB       LYS  16   6.581  -2.835  -2.660
  130    HG2  LYS  16          2HG       LYS  16   7.208  -4.694  -1.183
  131    HG3  LYS  16          1HG       LYS  16   5.824  -5.616  -1.759
  132    HD2  LYS  16          2HD       LYS  16   8.107  -4.644  -3.486
  133    HD3  LYS  16          1HD       LYS  16   7.947  -6.277  -2.849
  134    HE2  LYS  16          2HE       LYS  16   5.854  -6.560  -4.097
  135    HE3  LYS  16          1HE       LYS  16   5.999  -4.922  -4.723
  136    HZ1  LYS  16          1HZ       LYS  16   6.771  -6.559  -6.323
  137    HZ2  LYS  16          2HZ       LYS  16   7.943  -7.110  -5.239
  138    HZ3  LYS  16          3HZ       LYS  16   8.014  -5.536  -5.839
  139    HA   HYP  17           HA       HYP  17   7.975  -2.008   1.689
  140    HB2  HYP  17          1HB       HYP  17   8.921  -0.113   0.689
  141    HB3  HYP  17          2HB       HYP  17   7.989   0.720   1.950
  142    HG   HYP  17           HG       HYP  17   6.133   1.012   0.507
  143   HD22  HYP  17          1HD1      HYP  17   7.653  -0.839  -1.349
  144   HD23  HYP  17          2HD1      HYP  17   5.933  -0.375  -1.452
  145    HD1  HYP  17          2HD       HYP  17   6.858   1.720  -1.369
  146    H    LEU  18           HN       LEU  18   4.760  -0.924   1.451
  147    HA   LEU  18           HA       LEU  18   4.553   0.233   4.070
  148    HB2  LEU  18          2HB       LEU  18   2.403  -0.525   2.099
  149    HB3  LEU  18          1HB       LEU  18   2.160   0.417   3.552
  150    HG   LEU  18           HG       LEU  18   3.789   1.282   1.145
  151   HD11  LEU  18          1HD1      LEU  18   1.139   2.274   2.187
  152   HD12  LEU  18          2HD1      LEU  18   1.341   1.230   0.793
  153   HD13  LEU  18          3HD1      LEU  18   1.999   2.869   0.768
  154   HD21  LEU  18          1HD2      LEU  18   3.875   3.456   2.278
  155   HD22  LEU  18          2HD2      LEU  18   4.696   2.208   3.212
  156   HD23  LEU  18          3HD2      LEU  18   3.085   2.753   3.687
  157    H    LYS  19           HN       LYS  19   3.759  -0.671   5.863
  158    HA   LYS  19           HA       LYS  19   3.820  -3.457   6.263
  159    HB2  LYS  19          2HB       LYS  19   2.581  -1.281   7.939
  160    HB3  LYS  19          1HB       LYS  19   2.798  -2.935   8.489
  161    HG2  LYS  19          2HG       LYS  19   5.196  -2.716   8.319
  162    HG3  LYS  19          1HG       LYS  19   5.012  -1.107   7.624
  163    HD2  LYS  19          2HD       LYS  19   4.132  -1.906  10.397
  164    HD3  LYS  19          1HD       LYS  19   5.638  -1.070  10.024
  165    HE2  LYS  19          2HE       LYS  19   4.303   0.786   9.042
  166    HE3  LYS  19          1HE       LYS  19   2.838  -0.052   9.545
  167    HZ1  LYS  19          1HZ       LYS  19   3.601   0.116  11.839
  168    HZ2  LYS  19          2HZ       LYS  19   3.407   1.622  11.104
  169    HZ3  LYS  19          3HZ       LYS  19   4.963   0.982  11.319
  170    H    CYS  20           HN       CYS  20   1.402  -1.441   5.094
  171    HA   CYS  20           HA       CYS  20  -0.948  -2.849   5.754
  172    HB2  CYS  20          2HB       CYS  20  -0.440  -1.172   3.303
  173    HB3  CYS  20          1HB       CYS  20  -1.982  -1.463   4.110
  174    H    CYS  21           HN       CYS  21   1.613  -3.547   3.578
  175    HA   CYS  21           HA       CYS  21  -0.067  -5.296   1.980
  176    HB2  CYS  21          2HB       CYS  21   1.524  -3.858   0.771
  177    HB3  CYS  21          1HB       CYS  21   2.853  -4.554   1.690
  178    H    ALA  22           HN       ALA  22  -0.485  -7.055   3.150
  179    HA   ALA  22           HA       ALA  22   1.748  -8.413   4.462
  180    HB1  ALA  22          2HB       ALA  22   0.039  -9.554   5.823
  181    HB2  ALA  22          3HB       ALA  22  -1.227  -8.681   4.961
  182    HB3  ALA  22          1HB       ALA  22  -0.085  -7.800   5.972
  183    HN1  NH2  23          2H        ALA  22  -0.688 -10.831   2.259
  184    HN2  NH2  23          1H        ALA  22  -1.339  -9.669   3.360
  Start of MODEL   15
    1    H1   ARG   1          1HT       ARG   1  -3.563   9.968   0.277
    2    H2   ARG   1          2HT       ARG   1  -4.222   9.105  -1.006
    3    H3   ARG   1          3HT       ARG   1  -3.568  10.625  -1.281
    4    HA   ARG   1           HA       ARG   1  -2.104   8.946  -2.100
    5    HB2  ARG   1          2HB       ARG   1  -1.141  11.012  -1.011
    6    HB3  ARG   1          1HB       ARG   1  -1.014  10.080   0.474
    7    HG2  ARG   1          2HG       ARG   1   0.501   8.510  -0.661
    8    HG3  ARG   1          1HG       ARG   1   0.432   9.524  -2.103
    9    HD2  ARG   1          2HD       ARG   1   1.445  10.331   0.619
   10    HD3  ARG   1          1HD       ARG   1   2.425  10.028  -0.813
   11    HE   ARG   1           HE       ARG   1   0.631  11.989  -1.520
   12   HH11  ARG   1          1HH1      ARG   1   3.228  11.667   0.890
   13   HH12  ARG   1          2HH1      ARG   1   3.576  13.330   0.891
   14   HH21  ARG   1          1HH2      ARG   1   1.135  14.267  -1.455
   15   HH22  ARG   1          2HH2      ARG   1   2.385  14.824  -0.430
   16    H    ASP   2           HN       ASP   2  -3.117   8.501   1.265
   17    HA   ASP   2           HA       ASP   2  -1.492   6.375   1.914
   18    HB2  ASP   2          2HB       ASP   2  -4.183   7.201   2.974
   19    HB3  ASP   2          1HB       ASP   2  -3.324   5.803   3.599
   20    H    CYS   3           HN       CYS   3  -1.324   4.520   1.131
   21    HA   CYS   3           HA       CYS   3  -3.535   3.378  -0.365
   22    HB2  CYS   3          2HB       CYS   3  -1.197   3.450  -1.336
   23    HB3  CYS   3          1HB       CYS   3  -0.723   2.282  -0.112
   24    H    CYS   4           HN       CYS   4  -2.512   3.367   2.775
   25    HA   CYS   4           HA       CYS   4  -3.296   0.620   3.256
   26    HB2  CYS   4          2HB       CYS   4  -2.741   2.872   5.212
   27    HB3  CYS   4          1HB       CYS   4  -3.002   1.185   5.639
   28    H    THR   5           HN       THR   5  -4.800   3.584   2.760
   29    HA   THR   5           HA       THR   5  -7.100   3.033   4.318
   30    HB   THR   5           HB       THR   5  -6.769   5.053   2.073
   31    HG1  THR   5          1HG       THR   5  -6.293   6.483   3.867
   32   HG21  THR   5          1HG2      THR   5  -9.077   4.587   2.737
   33   HG22  THR   5          2HG2      THR   5  -8.612   6.212   3.274
   34   HG23  THR   5          3HG2      THR   5  -8.655   4.857   4.418
   35    HA   HYP   6           HA       HYP   6  -8.414   0.139   1.168
   36    HB2  HYP   6          1HB       HYP   6  -9.568  -1.258   2.534
   37    HB3  HYP   6          2HB       HYP   6 -10.929  -0.125   2.587
   38    HG   HYP   6           HG       HYP   6 -10.149  -0.056   4.851
   39   HD22  HYP   6          1HD1      HYP   6  -8.579   1.995   4.764
   40   HD23  HYP   6          2HD1      HYP   6 -10.104   2.181   3.848
   41    HD1  HYP   6          2HD       HYP   6  -7.578   0.354   4.249
   42    HA   HYP   7           HA       HYP   7  -9.870  -1.134  -0.208
   43    HB2  HYP   7          1HB       HYP   7 -10.929  -1.575  -2.152
   44    HB3  HYP   7          2HB       HYP   7  -9.890  -0.449  -3.030
   45    HG   HYP   7           HG       HYP   7 -11.952   0.667  -3.169
   46   HD22  HYP   7          1HD1      HYP   7 -11.935   2.162  -0.949
   47   HD23  HYP   7          2HD1      HYP   7 -10.511   2.241  -2.014
   48    HD1  HYP   7          2HD       HYP   7 -12.667   0.260  -0.565
   49    H    LYS   8           HN       LYS   8  -7.949  -1.861  -0.173
   50    HA   LYS   8           HA       LYS   8  -5.827  -0.426  -1.549
   51    HB2  LYS   8          2HB       LYS   8  -4.335  -1.333   0.261
   52    HB3  LYS   8          1HB       LYS   8  -5.425  -0.034   0.718
   53    HG2  LYS   8          2HG       LYS   8  -6.809  -1.409   1.836
   54    HG3  LYS   8          1HG       LYS   8  -6.154  -2.902   1.165
   55    HD2  LYS   8          2HD       LYS   8  -3.996  -2.322   2.364
   56    HD3  LYS   8          1HD       LYS   8  -4.849  -0.968   3.103
   57    HE2  LYS   8          2HE       LYS   8  -4.735  -2.876   4.607
   58    HE3  LYS   8          1HE       LYS   8  -6.397  -2.498   4.170
   59    HZ1  LYS   8          1HZ       LYS   8  -6.502  -4.379   2.748
   60    HZ2  LYS   8          2HZ       LYS   8  -5.754  -4.929   4.159
   61    HZ3  LYS   8          3HZ       LYS   8  -4.834  -4.613   2.791
   62    H    LYS   9           HN       LYS   9  -4.789  -1.519  -2.902
   63    HA   LYS   9           HA       LYS   9  -4.809  -4.481  -2.862
   64    HB2  LYS   9          2HB       LYS   9  -4.559  -2.676  -5.273
   65    HB3  LYS   9          1HB       LYS   9  -4.543  -4.426  -5.292
   66    HG2  LYS   9          2HG       LYS   9  -6.856  -4.472  -4.584
   67    HG3  LYS   9          1HG       LYS   9  -6.881  -2.709  -4.495
   68    HD2  LYS   9          2HD       LYS   9  -6.279  -2.633  -6.902
   69    HD3  LYS   9          1HD       LYS   9  -6.395  -4.391  -6.943
   70    HE2  LYS   9          2HE       LYS   9  -8.438  -3.395  -7.795
   71    HE3  LYS   9          1HE       LYS   9  -8.738  -4.237  -6.273
   72    HZ1  LYS   9          1HZ       LYS   9  -9.839  -2.048  -6.347
   73    HZ2  LYS   9          2HZ       LYS   9  -8.337  -1.314  -6.538
   74    HZ3  LYS   9          3HZ       LYS   9  -8.682  -2.134  -5.128
   75    H    CYS  10           HN       CYS  10  -2.797  -5.129  -2.230
   76    HA   CYS  10           HA       CYS  10  -0.565  -3.428  -2.882
   77    HB2  CYS  10          2HB       CYS  10  -0.596  -4.466  -0.627
   78    HB3  CYS  10          1HB       CYS  10  -0.526  -6.060  -1.375
   79    H    LYS  11           HN       LYS  11  -1.203  -3.783  -5.066
   80    HA   LYS  11           HA       LYS  11   0.263  -6.054  -6.244
   81    HB2  LYS  11          2HB       LYS  11  -1.905  -4.351  -7.508
   82    HB3  LYS  11          1HB       LYS  11  -1.055  -5.666  -8.304
   83    HG2  LYS  11          2HG       LYS  11  -1.998  -7.241  -6.667
   84    HG3  LYS  11          1HG       LYS  11  -2.884  -5.912  -5.922
   85    HD2  LYS  11          2HD       LYS  11  -4.061  -5.517  -8.027
   86    HD3  LYS  11          1HD       LYS  11  -3.184  -6.851  -8.778
   87    HE2  LYS  11          2HE       LYS  11  -5.056  -7.054  -6.422
   88    HE3  LYS  11          1HE       LYS  11  -5.457  -7.490  -8.079
   89    HZ1  LYS  11          1HZ       LYS  11  -4.895  -9.429  -6.758
   90    HZ2  LYS  11          2HZ       LYS  11  -3.374  -8.800  -6.397
   91    HZ3  LYS  11          3HZ       LYS  11  -3.754  -9.223  -7.976
   92    H    ASP  12           HN       ASP  12  -0.287  -2.637  -6.151
   93    HA   ASP  12           HA       ASP  12   1.696  -2.034  -8.142
   94    HB2  ASP  12          2HB       ASP  12  -0.331  -0.605  -7.762
   95    HB3  ASP  12          1HB       ASP  12   0.326  -0.185  -6.184
   96    H    ARG  13           HN       ARG  13   3.729  -1.315  -7.729
   97    HA   ARG  13           HA       ARG  13   5.013  -2.267  -5.429
   98    HB2  ARG  13          2HB       ARG  13   7.006  -1.139  -6.244
   99    HB3  ARG  13          1HB       ARG  13   6.213  -2.075  -7.505
  100    HG2  ARG  13          2HG       ARG  13   5.247  -0.011  -8.414
  101    HG3  ARG  13          1HG       ARG  13   6.056   0.915  -7.148
  102    HD2  ARG  13          2HD       ARG  13   7.301   0.994  -9.244
  103    HD3  ARG  13          1HD       ARG  13   8.219   0.178  -7.980
  104    HE   ARG  13           HE       ARG  13   6.707  -1.643  -9.552
  105   HH11  ARG  13          1HH1      ARG  13   9.727   0.212  -9.507
  106   HH12  ARG  13          2HH1      ARG  13  10.537  -0.824 -10.564
  107   HH21  ARG  13          1HH2      ARG  13   7.837  -3.087 -11.018
  108   HH22  ARG  13          2HH2      ARG  13   9.441  -2.740 -11.437
  109    H    ARG  14           HN       ARG  14   3.555   0.841  -6.059
  110    HA   ARG  14           HA       ARG  14   5.040   2.237  -4.054
  111    HB2  ARG  14          2HB       ARG  14   2.507   2.896  -5.553
  112    HB3  ARG  14          1HB       ARG  14   3.304   4.001  -4.437
  113    HG2  ARG  14          2HG       ARG  14   5.176   4.240  -5.832
  114    HG3  ARG  14          1HG       ARG  14   4.756   2.813  -6.777
  115    HD2  ARG  14          2HD       ARG  14   3.107   5.331  -6.690
  116    HD3  ARG  14          1HD       ARG  14   4.309   4.980  -7.935
  117    HE   ARG  14           HE       ARG  14   2.541   2.813  -7.734
  118   HH11  ARG  14          1HH1      ARG  14   2.423   6.187  -8.802
  119   HH12  ARG  14          2HH1      ARG  14   1.237   5.897  -9.998
  120   HH21  ARG  14          1HH2      ARG  14   0.981   2.445  -9.390
  121   HH22  ARG  14          2HH2      ARG  14   0.402   3.748 -10.352
  122    H    CYS  15           HN       CYS  15   2.673  -0.078  -3.900
  123    HA   CYS  15           HA       CYS  15   1.807   0.855  -1.258
  124    HB2  CYS  15          2HB       CYS  15   0.487  -1.115  -3.135
  125    HB3  CYS  15          1HB       CYS  15  -0.104  -0.686  -1.533
  126    H    LYS  16           HN       LYS  16   4.160  -0.884  -2.508
  127    HA   LYS  16           HA       LYS  16   3.698  -3.341  -1.043
  128    HB2  LYS  16          2HB       LYS  16   4.543  -3.578  -3.288
  129    HB3  LYS  16          1HB       LYS  16   5.941  -2.584  -2.913
  130    HG2  LYS  16          2HG       LYS  16   6.783  -4.255  -1.392
  131    HG3  LYS  16          1HG       LYS  16   5.331  -5.227  -1.607
  132    HD2  LYS  16          2HD       LYS  16   7.316  -4.556  -3.783
  133    HD3  LYS  16          1HD       LYS  16   7.253  -6.082  -2.901
  134    HE2  LYS  16          2HE       LYS  16   4.909  -6.356  -3.705
  135    HE3  LYS  16          1HE       LYS  16   5.140  -4.933  -4.715
  136    HZ1  LYS  16          1HZ       LYS  16   6.708  -7.437  -4.884
  137    HZ2  LYS  16          2HZ       LYS  16   6.951  -6.083  -5.830
  138    HZ3  LYS  16          3HZ       LYS  16   5.503  -6.954  -5.958
  139    HA   HYP  17           HA       HYP  17   7.711  -1.654   1.264
  140    HB2  HYP  17          1HB       HYP  17   8.556   0.218   0.127
  141    HB3  HYP  17          2HB       HYP  17   7.832   1.047   1.518
  142    HG   HYP  17           HG       HYP  17   5.820   1.452   0.348
  143   HD22  HYP  17          1HD1      HYP  17   6.938  -0.384  -1.776
  144   HD23  HYP  17          2HD1      HYP  17   5.242   0.088  -1.513
  145    HD1  HYP  17          2HD       HYP  17   6.297   2.202  -1.559
  146    H    LEU  18           HN       LEU  18   4.536  -0.825   1.351
  147    HA   LEU  18           HA       LEU  18   4.423   0.493   3.885
  148    HB2  LEU  18          2HB       LEU  18   2.239  -0.644   2.160
  149    HB3  LEU  18          1HB       LEU  18   2.006   0.382   3.559
  150    HG   LEU  18           HG       LEU  18   3.381   1.231   0.994
  151   HD11  LEU  18          1HD1      LEU  18   1.390   2.555   0.620
  152   HD12  LEU  18          2HD1      LEU  18   0.667   1.924   2.100
  153   HD13  LEU  18          3HD1      LEU  18   0.972   0.844   0.740
  154   HD21  LEU  18          1HD2      LEU  18   3.243   3.482   1.953
  155   HD22  LEU  18          2HD2      LEU  18   4.238   2.422   2.948
  156   HD23  LEU  18          3HD2      LEU  18   2.591   2.811   3.449
  157    H    LYS  19           HN       LYS  19   4.050  -0.435   5.773
  158    HA   LYS  19           HA       LYS  19   4.413  -3.180   6.235
  159    HB2  LYS  19          2HB       LYS  19   3.776  -2.653   8.564
  160    HB3  LYS  19          1HB       LYS  19   4.936  -1.502   7.918
  161    HG2  LYS  19          2HG       LYS  19   3.095   0.077   7.488
  162    HG3  LYS  19          1HG       LYS  19   1.966  -1.066   8.205
  163    HD2  LYS  19          2HD       LYS  19   3.251  -0.935  10.320
  164    HD3  LYS  19          1HD       LYS  19   4.291   0.280   9.574
  165    HE2  LYS  19          2HE       LYS  19   2.278   1.682   9.177
  166    HE3  LYS  19          1HE       LYS  19   1.326   0.487  10.047
  167    HZ1  LYS  19          1HZ       LYS  19   3.568   2.063  11.183
  168    HZ2  LYS  19          2HZ       LYS  19   2.679   0.922  12.027
  169    HZ3  LYS  19          3HZ       LYS  19   1.939   2.313  11.497
  170    H    CYS  20           HN       CYS  20   1.633  -1.372   5.449
  171    HA   CYS  20           HA       CYS  20  -0.415  -3.028   6.491
  172    HB2  CYS  20          2HB       CYS  20  -0.592  -1.250   4.072
  173    HB3  CYS  20          1HB       CYS  20  -1.878  -1.682   5.192
  174    H    CYS  21           HN       CYS  21   1.735  -3.333   3.817
  175    HA   CYS  21           HA       CYS  21  -0.005  -5.065   2.318
  176    HB2  CYS  21          2HB       CYS  21   1.560  -3.670   1.048
  177    HB3  CYS  21          1HB       CYS  21   2.920  -4.342   1.937
  178    H    ALA  22           HN       ALA  22  -0.451  -6.768   3.477
  179    HA   ALA  22           HA       ALA  22   1.632  -8.191   4.874
  180    HB1  ALA  22          2HB       ALA  22  -1.346  -8.656   4.768
  181    HB2  ALA  22          3HB       ALA  22  -0.484  -7.778   6.030
  182    HB3  ALA  22          1HB       ALA  22  -0.208  -9.505   5.810
  183    HN1  NH2  23          2H        ALA  22   2.152 -10.218   2.109
  184    HN2  NH2  23          1H        ALA  22   2.756  -9.022   3.203
  Start of MODEL   16
    1    H1   ARG   1          1HT       ARG   1   0.215   9.306   0.438
    2    H2   ARG   1          2HT       ARG   1  -0.503  10.443  -0.576
    3    H3   ARG   1          3HT       ARG   1  -0.160   8.882  -1.147
    4    HA   ARG   1           HA       ARG   1  -2.103   9.550   0.951
    5    HB2  ARG   1          2HB       ARG   1  -2.890  10.131  -1.299
    6    HB3  ARG   1          1HB       ARG   1  -2.448   8.531  -1.881
    7    HG2  ARG   1          2HG       ARG   1  -4.077   7.568  -0.280
    8    HG3  ARG   1          1HG       ARG   1  -4.582   9.206   0.123
    9    HD2  ARG   1          2HD       ARG   1  -5.244   9.580  -2.184
   10    HD3  ARG   1          1HD       ARG   1  -4.695   7.958  -2.615
   11    HE   ARG   1           HE       ARG   1  -6.846   8.478  -0.686
   12   HH11  ARG   1          1HH1      ARG   1  -5.558   6.558  -3.425
   13   HH12  ARG   1          2HH1      ARG   1  -6.935   5.566  -3.498
   14   HH21  ARG   1          1HH2      ARG   1  -8.680   7.054  -0.848
   15   HH22  ARG   1          2HH2      ARG   1  -8.718   5.845  -2.036
   16    H    ASP   2           HN       ASP   2  -2.695   7.894   2.162
   17    HA   ASP   2           HA       ASP   2  -1.223   5.519   2.189
   18    HB2  ASP   2          2HB       ASP   2  -3.665   6.434   3.625
   19    HB3  ASP   2          1HB       ASP   2  -3.174   4.757   3.744
   20    H    CYS   3           HN       CYS   3  -1.315   3.896   1.008
   21    HA   CYS   3           HA       CYS   3  -3.255   3.373  -0.942
   22    HB2  CYS   3          2HB       CYS   3  -0.974   2.632  -1.191
   23    HB3  CYS   3          1HB       CYS   3  -1.097   1.648   0.260
   24    H    CYS   4           HN       CYS   4  -2.813   2.268   2.362
   25    HA   CYS   4           HA       CYS   4  -4.669   0.148   2.126
   26    HB2  CYS   4          2HB       CYS   4  -3.218   1.299   4.467
   27    HB3  CYS   4          1HB       CYS   4  -4.435   0.038   4.648
   28    H    THR   5           HN       THR   5  -5.484   3.111   1.835
   29    HA   THR   5           HA       THR   5  -7.595   3.245   3.721
   30    HB   THR   5           HB       THR   5  -7.376   4.768   1.095
   31    HG1  THR   5          1HG       THR   5  -5.564   5.390   2.025
   32   HG21  THR   5          1HG2      THR   5  -8.632   5.386   3.756
   33   HG22  THR   5          2HG2      THR   5  -9.494   4.792   2.358
   34   HG23  THR   5          3HG2      THR   5  -8.737   6.403   2.305
   35    HA   HYP   6           HA       HYP   6  -9.585  -0.054   1.381
   36    HB2  HYP   6          1HB       HYP   6 -10.732  -1.017   3.101
   37    HB3  HYP   6          2HB       HYP   6 -11.937   0.281   3.057
   38    HG   HYP   6           HG       HYP   6 -10.868   0.665   5.176
   39   HD22  HYP   6          1HD1      HYP   6  -9.137   2.482   4.507
   40   HD23  HYP   6          2HD1      HYP   6 -10.739   2.660   3.737
   41    HD1  HYP   6          2HD       HYP   6  -8.368   0.668   4.262
   42    HA   HYP   7           HA       HYP   7 -10.743  -1.290   0.023
   43    HB2  HYP   7          1HB       HYP   7 -11.914  -1.888  -1.826
   44    HB3  HYP   7          2HB       HYP   7 -10.819  -0.926  -2.821
   45    HG   HYP   7           HG       HYP   7 -12.778   0.299  -3.165
   46   HD22  HYP   7          1HD1      HYP   7 -12.865   1.974  -1.070
   47   HD23  HYP   7          2HD1      HYP   7 -11.366   1.908  -2.027
   48    HD1  HYP   7          2HD       HYP   7 -13.701   0.174  -0.620
   49    H    LYS   8           HN       LYS   8  -8.774  -1.805   0.105
   50    HA   LYS   8           HA       LYS   8  -6.766  -0.044  -1.056
   51    HB2  LYS   8          2HB       LYS   8  -5.256  -1.258   0.569
   52    HB3  LYS   8          1HB       LYS   8  -6.469  -0.176   1.250
   53    HG2  LYS   8          2HG       LYS   8  -7.833  -1.940   1.893
   54    HG3  LYS   8          1HG       LYS   8  -6.907  -3.126   0.995
   55    HD2  LYS   8          2HD       LYS   8  -4.972  -2.625   2.519
   56    HD3  LYS   8          1HD       LYS   8  -6.017  -1.518   3.410
   57    HE2  LYS   8          2HE       LYS   8  -7.529  -3.393   3.895
   58    HE3  LYS   8          1HE       LYS   8  -6.415  -4.478   3.068
   59    HZ1  LYS   8          1HZ       LYS   8  -6.085  -4.564   5.401
   60    HZ2  LYS   8          2HZ       LYS   8  -5.857  -2.916   5.531
   61    HZ3  LYS   8          3HZ       LYS   8  -4.713  -3.871   4.712
   62    H    LYS   9           HN       LYS   9  -5.068  -0.912  -2.236
   63    HA   LYS   9           HA       LYS   9  -5.372  -3.681  -3.091
   64    HB2  LYS   9          2HB       LYS   9  -5.021  -2.912  -5.461
   65    HB3  LYS   9          1HB       LYS   9  -6.576  -2.455  -4.783
   66    HG2  LYS   9          2HG       LYS   9  -5.761  -0.176  -4.406
   67    HG3  LYS   9          1HG       LYS   9  -4.174  -0.629  -5.010
   68    HD2  LYS   9          2HD       LYS   9  -6.734  -0.672  -6.608
   69    HD3  LYS   9          1HD       LYS   9  -5.523   0.605  -6.673
   70    HE2  LYS   9          2HE       LYS   9  -3.862  -1.062  -7.448
   71    HE3  LYS   9          1HE       LYS   9  -5.128  -2.284  -7.444
   72    HZ1  LYS   9          1HZ       LYS   9  -4.780  -1.383  -9.660
   73    HZ2  LYS   9          2HZ       LYS   9  -5.108   0.170  -9.105
   74    HZ3  LYS   9          3HZ       LYS   9  -6.329  -0.982  -9.111
   75    H    CYS  10           HN       CYS  10  -3.417  -4.601  -2.688
   76    HA   CYS  10           HA       CYS  10  -1.108  -2.861  -3.088
   77    HB2  CYS  10          2HB       CYS  10  -1.224  -3.691  -0.775
   78    HB3  CYS  10          1HB       CYS  10  -1.259  -5.352  -1.365
   79    H    LYS  11           HN       LYS  11  -1.132  -3.191  -5.295
   80    HA   LYS  11           HA       LYS  11   0.236  -5.668  -6.017
   81    HB2  LYS  11          2HB       LYS  11  -2.084  -4.485  -7.547
   82    HB3  LYS  11          1HB       LYS  11  -0.981  -5.661  -8.246
   83    HG2  LYS  11          2HG       LYS  11  -2.663  -6.125  -5.788
   84    HG3  LYS  11          1HG       LYS  11  -3.079  -6.668  -7.416
   85    HD2  LYS  11          2HD       LYS  11  -1.169  -8.126  -7.488
   86    HD3  LYS  11          1HD       LYS  11  -0.527  -7.461  -5.990
   87    HE2  LYS  11          2HE       LYS  11  -3.100  -9.006  -6.262
   88    HE3  LYS  11          1HE       LYS  11  -1.575  -9.646  -5.658
   89    HZ1  LYS  11          1HZ       LYS  11  -3.132  -7.441  -4.382
   90    HZ2  LYS  11          2HZ       LYS  11  -1.670  -8.050  -3.827
   91    HZ3  LYS  11          3HZ       LYS  11  -3.039  -9.025  -3.842
   92    H    ASP  12           HN       ASP  12   0.299  -2.379  -5.983
   93    HA   ASP  12           HA       ASP  12   2.166  -2.278  -8.226
   94    HB2  ASP  12          2HB       ASP  12   0.299  -0.562  -8.113
   95    HB3  ASP  12          1HB       ASP  12   1.023   0.034  -6.626
   96    H    ARG  13           HN       ARG  13   4.240  -1.495  -7.830
   97    HA   ARG  13           HA       ARG  13   5.554  -2.312  -5.531
   98    HB2  ARG  13          2HB       ARG  13   6.412  -0.132  -7.431
   99    HB3  ARG  13          1HB       ARG  13   7.448  -0.948  -6.277
  100    HG2  ARG  13          2HG       ARG  13   7.109  -3.057  -7.447
  101    HG3  ARG  13          1HG       ARG  13   6.059  -2.241  -8.605
  102    HD2  ARG  13          2HD       ARG  13   8.958  -1.626  -8.099
  103    HD3  ARG  13          1HD       ARG  13   8.317  -2.494  -9.494
  104    HE   ARG  13           HE       ARG  13   6.976  -0.191  -9.613
  105   HH11  ARG  13          1HH1      ARG  13  10.435  -0.804  -9.167
  106   HH12  ARG  13          2HH1      ARG  13  10.940   0.593  -9.992
  107   HH21  ARG  13          1HH2      ARG  13   7.698   1.778 -10.775
  108   HH22  ARG  13          2HH2      ARG  13   9.354   2.067 -10.921
  109    H    ARG  14           HN       ARG  14   4.111   0.792  -6.277
  110    HA   ARG  14           HA       ARG  14   5.181   2.373  -4.230
  111    HB2  ARG  14          2HB       ARG  14   2.574   2.427  -5.703
  112    HB3  ARG  14          1HB       ARG  14   2.981   3.633  -4.494
  113    HG2  ARG  14          2HG       ARG  14   4.545   4.626  -5.809
  114    HG3  ARG  14          1HG       ARG  14   4.955   3.125  -6.641
  115    HD2  ARG  14          2HD       ARG  14   3.757   4.832  -8.041
  116    HD3  ARG  14          1HD       ARG  14   3.024   3.231  -7.980
  117    HE   ARG  14           HE       ARG  14   2.060   5.373  -6.240
  118   HH11  ARG  14          1HH1      ARG  14   1.501   3.071  -8.871
  119   HH12  ARG  14          2HH1      ARG  14  -0.181   3.297  -8.926
  120   HH21  ARG  14          1HH2      ARG  14  -0.282   5.719  -6.318
  121   HH22  ARG  14          2HH2      ARG  14  -1.210   4.835  -7.446
  122    H    CYS  15           HN       CYS  15   2.650  -0.028  -4.126
  123    HA   CYS  15           HA       CYS  15   1.907   0.788  -1.410
  124    HB2  CYS  15          2HB       CYS  15   0.147   0.503  -3.158
  125    HB3  CYS  15          1HB       CYS  15   0.590  -1.193  -3.278
  126    H    LYS  16           HN       LYS  16   4.060  -1.178  -2.902
  127    HA   LYS  16           HA       LYS  16   3.555  -3.616  -1.465
  128    HB2  LYS  16          2HB       LYS  16   4.336  -3.459  -3.849
  129    HB3  LYS  16          1HB       LYS  16   5.906  -2.985  -3.224
  130    HG2  LYS  16          2HG       LYS  16   6.139  -5.103  -2.101
  131    HG3  LYS  16          1HG       LYS  16   4.514  -5.576  -2.599
  132    HD2  LYS  16          2HD       LYS  16   5.269  -5.288  -4.979
  133    HD3  LYS  16          1HD       LYS  16   6.907  -5.091  -4.365
  134    HE2  LYS  16          2HE       LYS  16   6.572  -7.387  -5.052
  135    HE3  LYS  16          1HE       LYS  16   6.743  -7.309  -3.299
  136    HZ1  LYS  16          1HZ       LYS  16   4.321  -7.460  -3.101
  137    HZ2  LYS  16          2HZ       LYS  16   4.909  -8.776  -3.958
  138    HZ3  LYS  16          3HZ       LYS  16   4.169  -7.513  -4.768
  139    HA   HYP  17           HA       HYP  17   7.602  -2.375   0.899
  140    HB2  HYP  17          1HB       HYP  17   8.488  -0.604  -0.463
  141    HB3  HYP  17          2HB       HYP  17   8.361   0.109   1.156
  142    HG   HYP  17           HG       HYP  17   6.362   1.217   0.617
  143   HD22  HYP  17          1HD1      HYP  17   5.913  -0.234  -1.923
  144   HD23  HYP  17          2HD1      HYP  17   4.763   0.090  -0.622
  145    HD1  HYP  17          2HD       HYP  17   6.472   1.526  -1.734
  146    H    LEU  18           HN       LEU  18   4.549  -1.427   1.232
  147    HA   LEU  18           HA       LEU  18   4.663   0.114   3.648
  148    HB2  LEU  18          2HB       LEU  18   2.348  -1.022   2.101
  149    HB3  LEU  18          1HB       LEU  18   2.196   0.032   3.488
  150    HG   LEU  18           HG       LEU  18   3.476   0.815   0.848
  151   HD11  LEU  18          1HD1      LEU  18   1.053   0.472   0.693
  152   HD12  LEU  18          2HD1      LEU  18   1.488   2.174   0.552
  153   HD13  LEU  18          3HD1      LEU  18   0.816   1.556   2.064
  154   HD21  LEU  18          1HD2      LEU  18   4.417   2.011   2.757
  155   HD22  LEU  18          2HD2      LEU  18   2.794   2.439   3.297
  156   HD23  LEU  18          3HD2      LEU  18   3.411   3.072   1.771
  157    H    LYS  19           HN       LYS  19   4.253  -0.576   5.607
  158    HA   LYS  19           HA       LYS  19   4.652  -3.339   6.135
  159    HB2  LYS  19          2HB       LYS  19   4.215  -0.951   7.925
  160    HB3  LYS  19          1HB       LYS  19   4.226  -2.576   8.593
  161    HG2  LYS  19          2HG       LYS  19   6.415  -1.458   8.802
  162    HG3  LYS  19          1HG       LYS  19   6.504  -2.924   7.832
  163    HD2  LYS  19          2HD       LYS  19   6.280  -1.413   5.800
  164    HD3  LYS  19          1HD       LYS  19   6.533  -0.066   6.902
  165    HE2  LYS  19          2HE       LYS  19   8.706  -0.794   7.445
  166    HE3  LYS  19          1HE       LYS  19   8.459  -2.362   6.677
  167    HZ1  LYS  19          1HZ       LYS  19   8.236  -1.204   4.554
  168    HZ2  LYS  19          2HZ       LYS  19   9.756  -0.980   5.240
  169    HZ3  LYS  19          3HZ       LYS  19   8.626   0.266   5.275
  170    H    CYS  20           HN       CYS  20   1.936  -1.419   5.712
  171    HA   CYS  20           HA       CYS  20   0.034  -3.115   6.946
  172    HB2  CYS  20          2HB       CYS  20  -0.548  -0.839   6.576
  173    HB3  CYS  20          1HB       CYS  20  -0.114  -0.936   4.876
  174    H    CYS  21           HN       CYS  21   1.697  -3.136   3.857
  175    HA   CYS  21           HA       CYS  21  -0.163  -5.058   2.746
  176    HB2  CYS  21          2HB       CYS  21   0.773  -3.419   1.190
  177    HB3  CYS  21          1HB       CYS  21   2.409  -3.896   1.629
  178    H    ALA  22           HN       ALA  22   3.043  -4.892   4.110
  179    HA   ALA  22           HA       ALA  22   3.712  -7.609   3.635
  180    HB1  ALA  22          2HB       ALA  22   4.861  -5.668   5.649
  181    HB2  ALA  22          3HB       ALA  22   5.424  -5.888   3.993
  182    HB3  ALA  22          1HB       ALA  22   5.584  -7.200   5.162
  183    HN1  NH2  23          2H        ALA  22   2.521  -7.456   7.545
  184    HN2  NH2  23          1H        ALA  22   3.405  -6.149   6.849
  Start of MODEL   17
    1    H1   ARG   1          1HT       ARG   1  -3.485   9.761   1.676
    2    H2   ARG   1          2HT       ARG   1  -2.540  11.061   1.273
    3    H3   ARG   1          3HT       ARG   1  -1.996   9.937   2.409
    4    HA   ARG   1           HA       ARG   1  -2.522   9.383  -0.467
    5    HB2  ARG   1          2HB       ARG   1  -0.118   9.146  -0.732
    6    HB3  ARG   1          1HB       ARG   1  -0.488  10.770  -0.155
    7    HG2  ARG   1          2HG       ARG   1   0.188  10.147   2.079
    8    HG3  ARG   1          1HG       ARG   1   0.459   8.482   1.567
    9    HD2  ARG   1          2HD       ARG   1   2.193   9.332  -0.004
   10    HD3  ARG   1          1HD       ARG   1   1.966  10.941   0.685
   11    HE   ARG   1           HE       ARG   1   2.435   9.462   2.855
   12   HH11  ARG   1          1HH1      ARG   1   4.237   9.843  -0.195
   13   HH12  ARG   1          2HH1      ARG   1   5.719   9.369   0.464
   14   HH21  ARG   1          1HH2      ARG   1   4.541   8.781   3.750
   15   HH22  ARG   1          2HH2      ARG   1   5.901   8.751   2.712
   16    H    ASP   2           HN       ASP   2  -3.343   7.914   2.159
   17    HA   ASP   2           HA       ASP   2  -1.538   5.748   2.218
   18    HB2  ASP   2          2HB       ASP   2  -4.090   6.238   3.685
   19    HB3  ASP   2          1HB       ASP   2  -3.363   4.634   3.685
   20    H    CYS   3           HN       CYS   3  -1.413   4.070   1.225
   21    HA   CYS   3           HA       CYS   3  -3.330   3.413  -0.837
   22    HB2  CYS   3          2HB       CYS   3  -0.954   3.465  -1.374
   23    HB3  CYS   3          1HB       CYS   3  -0.623   2.283  -0.117
   24    H    CYS   4           HN       CYS   4  -2.639   2.530   2.372
   25    HA   CYS   4           HA       CYS   4  -3.698  -0.132   2.056
   26    HB2  CYS   4          2HB       CYS   4  -3.276  -0.364   4.484
   27    HB3  CYS   4          1HB       CYS   4  -1.847   0.072   3.560
   28    H    THR   5           HN       THR   5  -5.143   2.722   2.050
   29    HA   THR   5           HA       THR   5  -7.257   2.263   3.860
   30    HB   THR   5           HB       THR   5  -7.218   3.983   1.347
   31    HG1  THR   5          1HG       THR   5  -6.302   4.394   4.004
   32   HG21  THR   5          1HG2      THR   5  -8.884   4.128   3.866
   33   HG22  THR   5          2HG2      THR   5  -9.455   3.570   2.301
   34   HG23  THR   5          3HG2      THR   5  -8.985   5.263   2.515
   35    HA   HYP   6           HA       HYP   6  -8.714  -1.176   1.430
   36    HB2  HYP   6          1HB       HYP   6  -9.854  -2.211   3.080
   37    HB3  HYP   6          2HB       HYP   6 -11.235  -1.134   2.835
   38    HG   HYP   6           HG       HYP   6 -10.527  -0.471   5.008
   39   HD22  HYP   6          1HD1      HYP   6  -8.887   1.477   4.472
   40   HD23  HYP   6          2HD1      HYP   6 -10.390   1.462   3.505
   41    HD1  HYP   6          2HD       HYP   6  -7.922  -0.379   4.264
   42    HA   HYP   7           HA       HYP   7  -9.497  -2.520   0.100
   43    HB2  HYP   7          1HB       HYP   7 -10.418  -3.437  -1.766
   44    HB3  HYP   7          2HB       HYP   7  -9.436  -2.364  -2.769
   45    HG   HYP   7           HG       HYP   7 -11.532  -1.515  -3.308
   46   HD22  HYP   7          1HD1      HYP   7 -12.065   0.225  -1.329
   47   HD23  HYP   7          2HD1      HYP   7 -10.527   0.392  -2.213
   48    HD1  HYP   7          2HD       HYP   7 -13.199  -1.517  -1.885
   49    H    LYS   8           HN       LYS   8  -7.402  -2.873   0.051
   50    HA   LYS   8           HA       LYS   8  -5.658  -0.674  -0.297
   51    HB2  LYS   8          2HB       LYS   8  -4.974  -3.587   0.003
   52    HB3  LYS   8          1HB       LYS   8  -3.892  -2.230   0.278
   53    HG2  LYS   8          2HG       LYS   8  -5.447  -1.492   2.116
   54    HG3  LYS   8          1HG       LYS   8  -6.311  -2.995   1.881
   55    HD2  LYS   8          2HD       LYS   8  -3.382  -2.816   2.580
   56    HD3  LYS   8          1HD       LYS   8  -4.678  -3.156   3.723
   57    HE2  LYS   8          2HE       LYS   8  -3.958  -4.846   1.319
   58    HE3  LYS   8          1HE       LYS   8  -3.520  -5.199   2.983
   59    HZ1  LYS   8          1HZ       LYS   8  -5.867  -5.385   3.532
   60    HZ2  LYS   8          2HZ       LYS   8  -5.462  -6.459   2.297
   61    HZ3  LYS   8          3HZ       LYS   8  -6.305  -5.052   1.944
   62    H    LYS   9           HN       LYS   9  -4.180  -0.306  -1.838
   63    HA   LYS   9           HA       LYS   9  -4.732  -1.534  -4.440
   64    HB2  LYS   9          2HB       LYS   9  -3.256   0.999  -3.709
   65    HB3  LYS   9          1HB       LYS   9  -3.654   0.480  -5.340
   66    HG2  LYS   9          2HG       LYS   9  -5.998   0.727  -4.920
   67    HG3  LYS   9          1HG       LYS   9  -5.700   1.049  -3.211
   68    HD2  LYS   9          2HD       LYS   9  -4.474   3.089  -3.838
   69    HD3  LYS   9          1HD       LYS   9  -4.844   2.768  -5.535
   70    HE2  LYS   9          2HE       LYS   9  -7.214   2.955  -5.089
   71    HE3  LYS   9          1HE       LYS   9  -6.902   3.157  -3.366
   72    HZ1  LYS   9          1HZ       LYS   9  -5.752   5.216  -3.855
   73    HZ2  LYS   9          2HZ       LYS   9  -7.308   5.291  -4.458
   74    HZ3  LYS   9          3HZ       LYS   9  -6.020   5.032  -5.494
   75    H    CYS  10           HN       CYS  10  -3.258  -2.982  -2.579
   76    HA   CYS  10           HA       CYS  10  -0.454  -2.738  -2.801
   77    HB2  CYS  10          2HB       CYS  10  -2.178  -5.027  -1.881
   78    HB3  CYS  10          1HB       CYS  10  -0.424  -5.048  -1.825
   79    H    LYS  11           HN       LYS  11  -2.397  -3.460  -5.249
   80    HA   LYS  11           HA       LYS  11  -1.026  -5.666  -6.482
   81    HB2  LYS  11          2HB       LYS  11  -2.542  -3.429  -7.841
   82    HB3  LYS  11          1HB       LYS  11  -2.152  -4.995  -8.518
   83    HG2  LYS  11          2HG       LYS  11  -4.041  -4.471  -6.249
   84    HG3  LYS  11          1HG       LYS  11  -4.502  -4.813  -7.914
   85    HD2  LYS  11          2HD       LYS  11  -3.323  -7.022  -7.658
   86    HD3  LYS  11          1HD       LYS  11  -3.148  -6.643  -5.942
   87    HE2  LYS  11          2HE       LYS  11  -5.732  -6.913  -7.477
   88    HE3  LYS  11          1HE       LYS  11  -5.107  -8.026  -6.269
   89    HZ1  LYS  11          1HZ       LYS  11  -5.340  -6.340  -4.605
   90    HZ2  LYS  11          2HZ       LYS  11  -6.816  -6.573  -5.359
   91    HZ3  LYS  11          3HZ       LYS  11  -5.908  -5.205  -5.716
   92    H    ASP  12           HN       ASP  12  -0.640  -2.276  -6.119
   93    HA   ASP  12           HA       ASP  12   1.311  -1.994  -8.235
   94    HB2  ASP  12          2HB       ASP  12  -0.365  -0.209  -7.646
   95    HB3  ASP  12          1HB       ASP  12   0.484  -0.002  -6.118
   96    H    ARG  13           HN       ARG  13   3.450  -2.095  -7.915
   97    HA   ARG  13           HA       ARG  13   4.461  -3.293  -5.595
   98    HB2  ARG  13          2HB       ARG  13   6.655  -3.048  -6.534
   99    HB3  ARG  13          1HB       ARG  13   5.527  -3.603  -7.762
  100    HG2  ARG  13          2HG       ARG  13   5.462  -1.396  -8.751
  101    HG3  ARG  13          1HG       ARG  13   6.461  -0.753  -7.448
  102    HD2  ARG  13          2HD       ARG  13   7.289  -2.833  -9.473
  103    HD3  ARG  13          1HD       ARG  13   7.801  -1.144  -9.436
  104    HE   ARG  13           HE       ARG  13   8.367  -2.854  -7.131
  105   HH11  ARG  13          1HH1      ARG  13   9.635  -1.030  -9.889
  106   HH12  ARG  13          2HH1      ARG  13  11.249  -1.105  -9.375
  107   HH21  ARG  13          1HH2      ARG  13  10.582  -2.957  -6.423
  108   HH22  ARG  13          2HH2      ARG  13  11.807  -2.263  -7.357
  109    H    ARG  14           HN       ARG  14   4.038   0.069  -6.316
  110    HA   ARG  14           HA       ARG  14   6.068   1.003  -4.541
  111    HB2  ARG  14          2HB       ARG  14   3.666   2.359  -5.753
  112    HB3  ARG  14          1HB       ARG  14   4.869   3.190  -4.775
  113    HG2  ARG  14          2HG       ARG  14   6.552   2.857  -6.387
  114    HG3  ARG  14          1HG       ARG  14   5.577   1.681  -7.274
  115    HD2  ARG  14          2HD       ARG  14   4.884   4.590  -6.928
  116    HD3  ARG  14          1HD       ARG  14   5.680   3.916  -8.354
  117    HE   ARG  14           HE       ARG  14   3.384   2.428  -7.889
  118   HH11  ARG  14          1HH1      ARG  14   4.095   5.787  -8.715
  119   HH12  ARG  14          2HH1      ARG  14   2.704   5.996  -9.672
  120   HH21  ARG  14          1HH2      ARG  14   1.552   2.667  -9.224
  121   HH22  ARG  14          2HH2      ARG  14   1.204   4.169  -9.977
  122    H    CYS  15           HN       CYS  15   3.024  -0.325  -4.161
  123    HA   CYS  15           HA       CYS  15   2.487   0.910  -1.584
  124    HB2  CYS  15          2HB       CYS  15   0.748   0.649  -3.351
  125    HB3  CYS  15          1HB       CYS  15   0.920  -1.092  -3.216
  126    H    LYS  16           HN       LYS  16   4.395  -1.508  -2.727
  127    HA   LYS  16           HA       LYS  16   3.522  -3.639  -0.991
  128    HB2  LYS  16          2HB       LYS  16   4.269  -4.124  -3.266
  129    HB3  LYS  16          1HB       LYS  16   5.853  -3.474  -2.895
  130    HG2  LYS  16          2HG       LYS  16   6.198  -5.268  -1.272
  131    HG3  LYS  16          1HG       LYS  16   4.613  -5.929  -1.681
  132    HD2  LYS  16          2HD       LYS  16   5.343  -6.195  -4.014
  133    HD3  LYS  16          1HD       LYS  16   6.938  -5.579  -3.571
  134    HE2  LYS  16          2HE       LYS  16   7.170  -7.431  -1.972
  135    HE3  LYS  16          1HE       LYS  16   5.612  -8.056  -2.503
  136    HZ1  LYS  16          1HZ       LYS  16   7.988  -7.717  -4.242
  137    HZ2  LYS  16          2HZ       LYS  16   6.501  -8.364  -4.697
  138    HZ3  LYS  16          3HZ       LYS  16   7.456  -9.173  -3.565
  139    HA   HYP  17           HA       HYP  17   7.847  -2.544   1.167
  140    HB2  HYP  17          1HB       HYP  17   8.956  -0.921  -0.145
  141    HB3  HYP  17          2HB       HYP  17   8.479   0.072   1.249
  142    HG   HYP  17           HG       HYP  17   6.475   0.749   0.184
  143   HD22  HYP  17          1HD1      HYP  17   7.249  -1.256  -1.965
  144   HD23  HYP  17          2HD1      HYP  17   5.649  -0.525  -1.691
  145    HD1  HYP  17          2HD       HYP  17   7.096   1.152  -1.979
  146    H    LEU  18           HN       LEU  18   4.839  -1.143   1.166
  147    HA   LEU  18           HA       LEU  18   4.971   0.395   3.558
  148    HB2  LEU  18          2HB       LEU  18   2.627  -0.526   1.909
  149    HB3  LEU  18          1HB       LEU  18   2.543   0.635   3.214
  150    HG   LEU  18           HG       LEU  18   4.016   1.032   0.590
  151   HD11  LEU  18          1HD1      LEU  18   2.297   2.698   0.153
  152   HD12  LEU  18          2HD1      LEU  18   1.510   2.304   1.680
  153   HD13  LEU  18          3HD1      LEU  18   1.572   1.107   0.390
  154   HD21  LEU  18          1HD2      LEU  18   5.147   2.179   2.408
  155   HD22  LEU  18          2HD2      LEU  18   3.618   2.884   2.935
  156   HD23  LEU  18          3HD2      LEU  18   4.306   3.339   1.378
  157    H    LYS  19           HN       LYS  19   4.746  -0.314   5.490
  158    HA   LYS  19           HA       LYS  19   4.304  -3.099   6.049
  159    HB2  LYS  19          2HB       LYS  19   4.753  -0.737   7.888
  160    HB3  LYS  19          1HB       LYS  19   4.713  -2.419   8.408
  161    HG2  LYS  19          2HG       LYS  19   6.636  -2.923   7.021
  162    HG3  LYS  19          1HG       LYS  19   6.661  -1.266   6.426
  163    HD2  LYS  19          2HD       LYS  19   7.159  -0.455   8.661
  164    HD3  LYS  19          1HD       LYS  19   7.059  -2.097   9.302
  165    HE2  LYS  19          2HE       LYS  19   8.918  -2.773   7.864
  166    HE3  LYS  19          1HE       LYS  19   9.013  -1.144   7.209
  167    HZ1  LYS  19          1HZ       LYS  19  10.662  -1.573   8.910
  168    HZ2  LYS  19          2HZ       LYS  19   9.458  -1.860  10.055
  169    HZ3  LYS  19          3HZ       LYS  19   9.634  -0.326   9.372
  170    H    CYS  20           HN       CYS  20   2.389  -0.436   5.641
  171    HA   CYS  20           HA       CYS  20   0.185  -1.320   7.286
  172    HB2  CYS  20          2HB       CYS  20   0.721   1.128   6.667
  173    HB3  CYS  20          1HB       CYS  20   0.125   0.745   5.062
  174    H    CYS  21           HN       CYS  21   1.606  -2.343   4.462
  175    HA   CYS  21           HA       CYS  21  -0.885  -3.433   3.381
  176    HB2  CYS  21          2HB       CYS  21   0.416  -2.138   1.668
  177    HB3  CYS  21          1HB       CYS  21   1.831  -3.083   2.081
  178    H    ALA  22           HN       ALA  22  -1.194  -5.470   4.034
  179    HA   ALA  22           HA       ALA  22   1.137  -7.142   4.575
  180    HB1  ALA  22          2HB       ALA  22  -0.430  -8.609   5.765
  181    HB2  ALA  22          3HB       ALA  22  -1.764  -7.549   5.313
  182    HB3  ALA  22          1HB       ALA  22  -0.502  -6.962   6.393
  183    HN1  NH2  23          2H        ALA  22   0.641  -8.560   1.429
  184    HN2  NH2  23          1H        ALA  22   1.619  -7.555   2.446
  Start of MODEL   18
    1    H1   ARG   1          1HT       ARG   1  -1.774  10.745  -2.470
    2    H2   ARG   1          2HT       ARG   1  -0.848   9.357  -2.145
    3    H3   ARG   1          3HT       ARG   1  -0.872  10.604  -1.048
    4    HA   ARG   1           HA       ARG   1  -3.178  10.219  -0.536
    5    HB2  ARG   1          2HB       ARG   1  -4.330   8.325  -1.453
    6    HB3  ARG   1          1HB       ARG   1  -3.792   9.312  -2.817
    7    HG2  ARG   1          2HG       ARG   1  -1.979   7.754  -3.232
    8    HG3  ARG   1          1HG       ARG   1  -2.398   6.846  -1.782
    9    HD2  ARG   1          2HD       ARG   1  -4.663   6.472  -2.866
   10    HD3  ARG   1          1HD       ARG   1  -3.930   7.078  -4.354
   11    HE   ARG   1           HE       ARG   1  -2.188   5.213  -3.558
   12   HH11  ARG   1          1HH1      ARG   1  -5.681   5.110  -4.082
   13   HH12  ARG   1          2HH1      ARG   1  -5.751   3.435  -4.360
   14   HH21  ARG   1          1HH2      ARG   1  -2.252   2.895  -3.908
   15   HH22  ARG   1          2HH2      ARG   1  -3.713   2.133  -4.266
   16    H    ASP   2           HN       ASP   2  -3.718   8.533   1.070
   17    HA   ASP   2           HA       ASP   2  -1.411   6.912   1.781
   18    HB2  ASP   2          2HB       ASP   2  -2.507   6.402   3.868
   19    HB3  ASP   2          1HB       ASP   2  -2.896   8.109   3.604
   20    H    CYS   3           HN       CYS   3  -1.606   4.646   1.787
   21    HA   CYS   3           HA       CYS   3  -3.774   3.751   0.022
   22    HB2  CYS   3          2HB       CYS   3  -1.467   3.521  -0.898
   23    HB3  CYS   3          1HB       CYS   3  -1.080   2.428   0.424
   24    H    CYS   4           HN       CYS   4  -2.538   3.555   3.143
   25    HA   CYS   4           HA       CYS   4  -3.150   0.901   3.842
   26    HB2  CYS   4          2HB       CYS   4  -3.063   3.372   5.579
   27    HB3  CYS   4          1HB       CYS   4  -3.055   1.710   6.169
   28    H    THR   5           HN       THR   5  -5.122   3.813   3.752
   29    HA   THR   5           HA       THR   5  -7.348   2.559   4.878
   30    HB   THR   5           HB       THR   5  -7.085   5.046   3.136
   31    HG1  THR   5          1HG       THR   5  -6.040   5.471   4.753
   32   HG21  THR   5          1HG2      THR   5  -9.384   4.163   3.185
   33   HG22  THR   5          2HG2      THR   5  -9.282   5.656   4.140
   34   HG23  THR   5          3HG2      THR   5  -9.302   4.068   4.934
   35    HA   HYP   6           HA       HYP   6  -7.770  -0.167   1.285
   36    HB2  HYP   6          1HB       HYP   6  -8.813  -1.853   2.409
   37    HB3  HYP   6          2HB       HYP   6 -10.350  -0.984   2.308
   38    HG   HYP   6           HG       HYP   6  -9.933  -0.942   4.679
   39   HD22  HYP   6          1HD1      HYP   6  -8.770   1.356   4.939
   40   HD23  HYP   6          2HD1      HYP   6 -10.127   1.344   3.775
   41    HD1  HYP   6          2HD       HYP   6  -7.416  -0.066   4.415
   42    HA   HYP   7           HA       HYP   7  -8.964  -1.622  -0.077
   43    HB2  HYP   7          1HB       HYP   7 -10.298  -2.329  -1.779
   44    HB3  HYP   7          2HB       HYP   7  -9.258  -1.450  -2.902
   45    HG   HYP   7           HG       HYP   7 -11.184  -0.191  -3.237
   46   HD22  HYP   7          1HD1      HYP   7 -11.248   1.541  -1.175
   47   HD23  HYP   7          2HD1      HYP   7  -9.775   1.445  -2.169
   48    HD1  HYP   7          2HD       HYP   7 -12.510   0.112  -1.194
   49    H    LYS   8           HN       LYS   8  -6.962  -2.179  -0.356
   50    HA   LYS   8           HA       LYS   8  -5.213  -0.404  -1.841
   51    HB2  LYS   8          2HB       LYS   8  -3.436  -1.319  -0.208
   52    HB3  LYS   8          1HB       LYS   8  -4.497  -0.017   0.295
   53    HG2  LYS   8          2HG       LYS   8  -5.841  -1.498   1.522
   54    HG3  LYS   8          1HG       LYS   8  -4.949  -2.909   0.931
   55    HD2  LYS   8          2HD       LYS   8  -2.952  -2.105   2.116
   56    HD3  LYS   8          1HD       LYS   8  -3.788  -0.615   2.546
   57    HE2  LYS   8          2HE       LYS   8  -3.738  -2.025   4.477
   58    HE3  LYS   8          1HE       LYS   8  -5.390  -1.975   3.876
   59    HZ1  LYS   8          1HZ       LYS   8  -4.780  -4.179   4.502
   60    HZ2  LYS   8          2HZ       LYS   8  -3.427  -4.177   3.510
   61    HZ3  LYS   8          3HZ       LYS   8  -4.973  -4.173   2.824
   62    H    LYS   9           HN       LYS   9  -3.774  -1.247  -3.138
   63    HA   LYS   9           HA       LYS   9  -3.886  -4.153  -3.516
   64    HB2  LYS   9          2HB       LYS   9  -3.396  -1.990  -5.564
   65    HB3  LYS   9          1HB       LYS   9  -3.289  -3.715  -5.869
   66    HG2  LYS   9          2HG       LYS   9  -5.779  -2.261  -5.010
   67    HG3  LYS   9          1HG       LYS   9  -5.379  -2.722  -6.666
   68    HD2  LYS   9          2HD       LYS   9  -5.343  -5.079  -5.986
   69    HD3  LYS   9          1HD       LYS   9  -5.775  -4.605  -4.342
   70    HE2  LYS   9          2HE       LYS   9  -7.739  -5.347  -5.534
   71    HE3  LYS   9          1HE       LYS   9  -7.852  -3.627  -5.180
   72    HZ1  LYS   9          1HZ       LYS   9  -7.088  -4.827  -7.783
   73    HZ2  LYS   9          2HZ       LYS   9  -7.154  -3.179  -7.479
   74    HZ3  LYS   9          3HZ       LYS   9  -8.565  -4.094  -7.439
   75    H    CYS  10           HN       CYS  10  -2.122  -5.003  -2.728
   76    HA   CYS  10           HA       CYS  10   0.345  -3.527  -2.615
   77    HB2  CYS  10          2HB       CYS  10  -0.469  -5.154  -0.847
   78    HB3  CYS  10          1HB       CYS  10  -0.164  -6.446  -1.997
   79    H    LYS  11           HN       LYS  11  -1.294  -5.011  -4.946
   80    HA   LYS  11           HA       LYS  11   0.535  -6.502  -6.468
   81    HB2  LYS  11          2HB       LYS  11  -1.894  -6.494  -6.866
   82    HB3  LYS  11          1HB       LYS  11  -1.820  -4.811  -7.331
   83    HG2  LYS  11          2HG       LYS  11  -2.022  -6.230  -9.292
   84    HG3  LYS  11          1HG       LYS  11  -0.474  -5.397  -9.289
   85    HD2  LYS  11          2HD       LYS  11  -0.209  -7.714  -9.988
   86    HD3  LYS  11          1HD       LYS  11   0.620  -7.435  -8.461
   87    HE2  LYS  11          2HE       LYS  11  -0.556  -9.561  -8.405
   88    HE3  LYS  11          1HE       LYS  11  -1.284  -8.444  -7.264
   89    HZ1  LYS  11          1HZ       LYS  11  -3.074  -8.039  -8.855
   90    HZ2  LYS  11          2HZ       LYS  11  -2.916  -9.680  -8.507
   91    HZ3  LYS  11          3HZ       LYS  11  -2.326  -9.081  -9.964
   92    H    ASP  12           HN       ASP  12  -0.027  -3.065  -6.089
   93    HA   ASP  12           HA       ASP  12   2.001  -2.612  -8.127
   94    HB2  ASP  12          2HB       ASP  12  -0.162  -1.381  -8.425
   95    HB3  ASP  12          1HB       ASP  12   0.168  -0.540  -6.908
   96    H    ARG  13           HN       ARG  13   3.729  -1.335  -7.676
   97    HA   ARG  13           HA       ARG  13   4.963  -1.793  -5.252
   98    HB2  ARG  13          2HB       ARG  13   6.756  -0.319  -6.043
   99    HB3  ARG  13          1HB       ARG  13   6.232  -1.444  -7.280
  100    HG2  ARG  13          2HG       ARG  13   4.938   0.362  -8.337
  101    HG3  ARG  13          1HG       ARG  13   5.522   1.471  -7.095
  102    HD2  ARG  13          2HD       ARG  13   7.237  -0.056  -9.048
  103    HD3  ARG  13          1HD       ARG  13   6.843   1.658  -9.151
  104    HE   ARG  13           HE       ARG  13   7.987   1.793  -6.896
  105   HH11  ARG  13          1HH1      ARG  13   8.971  -0.542  -9.381
  106   HH12  ARG  13          2HH1      ARG  13  10.584  -0.631  -8.855
  107   HH21  ARG  13          1HH2      ARG  13  10.253   1.685  -6.183
  108   HH22  ARG  13          2HH2      ARG  13  11.325   0.666  -6.996
  109    H    ARG  14           HN       ARG  14   2.925   0.854  -6.210
  110    HA   ARG  14           HA       ARG  14   3.653   2.832  -4.380
  111    HB2  ARG  14          2HB       ARG  14   0.914   2.146  -5.459
  112    HB3  ARG  14          1HB       ARG  14   1.278   3.604  -4.552
  113    HG2  ARG  14          2HG       ARG  14   2.764   4.370  -6.285
  114    HG3  ARG  14          1HG       ARG  14   2.581   2.845  -7.152
  115    HD2  ARG  14          2HD       ARG  14   0.177   3.330  -7.433
  116    HD3  ARG  14          1HD       ARG  14   0.412   4.883  -6.634
  117    HE   ARG  14           HE       ARG  14   2.216   4.924  -8.648
  118   HH11  ARG  14          1HH1      ARG  14  -1.326   4.404  -8.565
  119   HH12  ARG  14          2HH1      ARG  14  -1.548   4.979 -10.149
  120   HH21  ARG  14          1HH2      ARG  14   1.815   5.689 -10.878
  121   HH22  ARG  14          2HH2      ARG  14   0.202   5.716 -11.439
  122    H    CYS  15           HN       CYS  15   1.896  -0.140  -3.846
  123    HA   CYS  15           HA       CYS  15   1.554   0.708  -1.055
  124    HB2  CYS  15          2HB       CYS  15  -0.231  -1.162  -2.605
  125    HB3  CYS  15          1HB       CYS  15  -0.479  -0.564  -0.965
  126    H    LYS  16           HN       LYS  16   3.636  -0.933  -2.688
  127    HA   LYS  16           HA       LYS  16   3.239  -3.477  -1.345
  128    HB2  LYS  16          2HB       LYS  16   3.597  -3.504  -3.804
  129    HB3  LYS  16          1HB       LYS  16   5.220  -2.882  -3.535
  130    HG2  LYS  16          2HG       LYS  16   5.959  -4.874  -2.562
  131    HG3  LYS  16          1HG       LYS  16   4.317  -5.444  -2.278
  132    HD2  LYS  16          2HD       LYS  16   5.307  -6.682  -4.113
  133    HD3  LYS  16          1HD       LYS  16   3.997  -5.674  -4.707
  134    HE2  LYS  16          2HE       LYS  16   5.647  -4.029  -5.490
  135    HE3  LYS  16          1HE       LYS  16   6.942  -5.071  -4.899
  136    HZ1  LYS  16          1HZ       LYS  16   4.992  -5.723  -7.030
  137    HZ2  LYS  16          2HZ       LYS  16   6.121  -6.806  -6.423
  138    HZ3  LYS  16          3HZ       LYS  16   6.629  -5.426  -7.245
  139    HA   HYP  17           HA       HYP  17   7.238  -2.373   0.758
  140    HB2  HYP  17          1HB       HYP  17   8.196  -0.730  -0.685
  141    HB3  HYP  17          2HB       HYP  17   8.211   0.048   0.908
  142    HG   HYP  17           HG       HYP  17   6.365   1.362   0.402
  143   HD22  HYP  17          1HD1      HYP  17   5.425  -0.130  -1.954
  144   HD23  HYP  17          2HD1      HYP  17   4.509   0.302  -0.506
  145    HD1  HYP  17          2HD       HYP  17   6.294   1.684  -1.883
  146    H    LEU  18           HN       LEU  18   4.317  -1.363   1.335
  147    HA   LEU  18           HA       LEU  18   4.755   0.157   3.789
  148    HB2  LEU  18          2HB       LEU  18   2.215  -0.505   2.309
  149    HB3  LEU  18          1HB       LEU  18   2.333   0.531   3.714
  150    HG   LEU  18           HG       LEU  18   3.562   1.134   1.006
  151   HD11  LEU  18          1HD1      LEU  18   1.833   2.833   0.846
  152   HD12  LEU  18          2HD1      LEU  18   1.152   2.300   2.383
  153   HD13  LEU  18          3HD1      LEU  18   1.120   1.224   0.986
  154   HD21  LEU  18          1HD2      LEU  18   3.352   2.801   3.515
  155   HD22  LEU  18          2HD2      LEU  18   3.947   3.356   1.951
  156   HD23  LEU  18          3HD2      LEU  18   4.837   2.122   2.839
  157    H    LYS  19           HN       LYS  19   4.007  -0.540   5.767
  158    HA   LYS  19           HA       LYS  19   3.943  -3.365   6.175
  159    HB2  LYS  19          2HB       LYS  19   3.292  -1.169   8.136
  160    HB3  LYS  19          1HB       LYS  19   3.589  -2.856   8.526
  161    HG2  LYS  19          2HG       LYS  19   5.893  -2.517   7.488
  162    HG3  LYS  19          1HG       LYS  19   5.522  -0.797   7.534
  163    HD2  LYS  19          2HD       LYS  19   6.800  -1.427   9.495
  164    HD3  LYS  19          1HD       LYS  19   5.164  -0.961   9.963
  165    HE2  LYS  19          2HE       LYS  19   5.997  -2.992  11.120
  166    HE3  LYS  19          1HE       LYS  19   4.519  -3.285  10.217
  167    HZ1  LYS  19          1HZ       LYS  19   7.259  -3.916   9.260
  168    HZ2  LYS  19          2HZ       LYS  19   5.827  -4.363   8.482
  169    HZ3  LYS  19          3HZ       LYS  19   6.228  -5.013   9.977
  170    H    CYS  20           HN       CYS  20   1.659  -1.096   5.401
  171    HA   CYS  20           HA       CYS  20  -0.628  -2.351   6.522
  172    HB2  CYS  20          2HB       CYS  20  -0.452  -0.493   4.137
  173    HB3  CYS  20          1HB       CYS  20  -1.892  -0.835   5.096
  174    H    CYS  21           HN       CYS  21   1.481  -3.225   4.018
  175    HA   CYS  21           HA       CYS  21  -0.508  -4.793   2.613
  176    HB2  CYS  21          2HB       CYS  21   1.128  -3.849   1.136
  177    HB3  CYS  21          1HB       CYS  21   2.456  -4.365   2.173
  178    H    ALA  22           HN       ALA  22  -1.034  -6.674   3.416
  179    HA   ALA  22           HA       ALA  22   0.878  -8.086   5.114
  180    HB1  ALA  22          2HB       ALA  22  -1.355  -7.740   6.052
  181    HB2  ALA  22          3HB       ALA  22  -1.041  -9.460   5.805
  182    HB3  ALA  22          1HB       ALA  22  -2.071  -8.579   4.677
  183    HN1  NH2  23          2H        ALA  22  -0.588 -10.518   2.208
  184    HN2  NH2  23          1H        ALA  22  -1.643  -9.627   3.233
  Start of MODEL   19
    1    H1   ARG   1          1HT       ARG   1  -0.965   9.789  -1.690
    2    H2   ARG   1          2HT       ARG   1  -2.497   9.424  -1.080
    3    H3   ARG   1          3HT       ARG   1  -1.543   8.212  -1.762
    4    HA   ARG   1           HA       ARG   1   0.085   8.398  -0.102
    5    HB2  ARG   1          2HB       ARG   1  -0.381   9.673   1.946
    6    HB3  ARG   1          1HB       ARG   1  -0.140  10.712   0.545
    7    HG2  ARG   1          2HG       ARG   1  -2.542  11.070   0.389
    8    HG3  ARG   1          1HG       ARG   1  -2.808   9.956   1.731
    9    HD2  ARG   1          2HD       ARG   1  -1.233  12.521   1.882
   10    HD3  ARG   1          1HD       ARG   1  -2.908  12.337   2.405
   11    HE   ARG   1           HE       ARG   1  -0.934  10.562   3.597
   12   HH11  ARG   1          1HH1      ARG   1  -2.936  13.440   3.983
   13   HH12  ARG   1          2HH1      ARG   1  -2.727  13.533   5.659
   14   HH21  ARG   1          1HH2      ARG   1  -0.663  10.644   5.872
   15   HH22  ARG   1          2HH2      ARG   1  -1.397  11.872   6.799
   16    H    ASP   2           HN       ASP   2  -3.264   7.775  -0.390
   17    HA   ASP   2           HA       ASP   2  -3.429   6.487   2.168
   18    HB2  ASP   2          2HB       ASP   2  -5.736   5.966   1.638
   19    HB3  ASP   2          1HB       ASP   2  -5.423   7.650   1.277
   20    H    CYS   3           HN       CYS   3  -2.730   4.618   2.523
   21    HA   CYS   3           HA       CYS   3  -2.704   2.659   0.329
   22    HB2  CYS   3          2HB       CYS   3  -0.444   3.364   1.014
   23    HB3  CYS   3          1HB       CYS   3  -0.788   2.831   2.655
   24    H    CYS   4           HN       CYS   4  -3.699   3.349   3.543
   25    HA   CYS   4           HA       CYS   4  -4.453   0.553   3.933
   26    HB2  CYS   4          2HB       CYS   4  -4.525   2.860   5.891
   27    HB3  CYS   4          1HB       CYS   4  -4.822   1.166   6.268
   28    H    THR   5           HN       THR   5  -5.741   3.523   2.938
   29    HA   THR   5           HA       THR   5  -8.378   3.146   3.776
   30    HB   THR   5           HB       THR   5  -7.380   4.671   1.360
   31    HG1  THR   5          1HG       THR   5  -7.863   5.520   4.017
   32   HG21  THR   5          1HG2      THR   5  -9.789   4.318   1.406
   33   HG22  THR   5          2HG2      THR   5  -9.432   6.022   1.752
   34   HG23  THR   5          3HG2      THR   5  -9.863   4.905   3.058
   35    HA   HYP   6           HA       HYP   6  -9.178  -0.062   0.748
   36    HB2  HYP   6          1HB       HYP   6 -10.756  -1.256   1.900
   37    HB3  HYP   6          2HB       HYP   6 -11.970   0.001   1.614
   38    HG   HYP   6           HG       HYP   6 -11.599   0.145   3.989
   39   HD22  HYP   6          1HD1      HYP   6  -9.917   2.106   4.050
   40   HD23  HYP   6          2HD1      HYP   6 -11.246   2.303   2.869
   41    HD1  HYP   6          2HD       HYP   6  -8.937   0.361   3.736
   42    HA   HYP   7           HA       HYP   7  -9.863  -1.168  -0.773
   43    HB2  HYP   7          1HB       HYP   7 -10.450  -2.025  -2.821
   44    HB3  HYP   7          2HB       HYP   7  -9.753  -0.646  -3.683
   45    HG   HYP   7           HG       HYP   7 -12.113  -0.328  -3.894
   46   HD22  HYP   7          1HD1      HYP   7 -12.418   1.447  -1.928
   47   HD23  HYP   7          2HD1      HYP   7 -11.085   1.716  -3.079
   48    HD1  HYP   7          2HD       HYP   7 -13.458  -0.847  -2.492
   49    H    LYS   8           HN       LYS   8  -7.843  -1.651  -0.601
   50    HA   LYS   8           HA       LYS   8  -5.849   0.221  -1.573
   51    HB2  LYS   8          2HB       LYS   8  -4.428  -0.988   0.199
   52    HB3  LYS   8          1HB       LYS   8  -5.635   0.173   0.735
   53    HG2  LYS   8          2HG       LYS   8  -7.143  -1.518   1.278
   54    HG3  LYS   8          1HG       LYS   8  -6.112  -2.788   0.599
   55    HD2  LYS   8          2HD       LYS   8  -5.547  -1.015   2.998
   56    HD3  LYS   8          1HD       LYS   8  -6.069  -2.693   3.077
   57    HE2  LYS   8          2HE       LYS   8  -4.000  -3.358   1.905
   58    HE3  LYS   8          1HE       LYS   8  -3.477  -1.674   1.926
   59    HZ1  LYS   8          1HZ       LYS   8  -4.050  -3.317   4.316
   60    HZ2  LYS   8          2HZ       LYS   8  -3.542  -1.732   4.339
   61    HZ3  LYS   8          3HZ       LYS   8  -2.510  -2.928   3.773
   62    H    LYS   9           HN       LYS   9  -4.192  -0.470  -2.759
   63    HA   LYS   9           HA       LYS   9  -4.393  -3.234  -3.727
   64    HB2  LYS   9          2HB       LYS   9  -3.222  -0.873  -5.224
   65    HB3  LYS   9          1HB       LYS   9  -3.516  -2.476  -5.867
   66    HG2  LYS   9          2HG       LYS   9  -5.636  -0.514  -4.988
   67    HG3  LYS   9          1HG       LYS   9  -5.165  -0.833  -6.652
   68    HD2  LYS   9          2HD       LYS   9  -6.332  -2.902  -4.774
   69    HD3  LYS   9          1HD       LYS   9  -7.273  -1.969  -5.932
   70    HE2  LYS   9          2HE       LYS   9  -5.947  -2.921  -7.765
   71    HE3  LYS   9          1HE       LYS   9  -5.016  -3.859  -6.601
   72    HZ1  LYS   9          1HZ       LYS   9  -7.939  -4.105  -7.072
   73    HZ2  LYS   9          2HZ       LYS   9  -7.076  -5.024  -5.979
   74    HZ3  LYS   9          3HZ       LYS   9  -6.784  -5.179  -7.626
   75    H    CYS  10           HN       CYS  10  -2.887  -4.292  -2.485
   76    HA   CYS  10           HA       CYS  10  -0.355  -3.015  -1.913
   77    HB2  CYS  10          2HB       CYS  10  -1.416  -5.704  -1.085
   78    HB3  CYS  10          1HB       CYS  10   0.066  -4.947  -0.527
   79    H    LYS  11           HN       LYS  11  -1.578  -4.894  -4.364
   80    HA   LYS  11           HA       LYS  11   0.951  -6.200  -4.863
   81    HB2  LYS  11          2HB       LYS  11  -1.647  -6.263  -6.397
   82    HB3  LYS  11          1HB       LYS  11  -0.202  -7.135  -6.889
   83    HG2  LYS  11          2HG       LYS  11  -0.230  -8.351  -4.752
   84    HG3  LYS  11          1HG       LYS  11  -1.715  -7.513  -4.313
   85    HD2  LYS  11          2HD       LYS  11  -2.864  -8.527  -6.206
   86    HD3  LYS  11          1HD       LYS  11  -1.367  -9.316  -6.709
   87    HE2  LYS  11          2HE       LYS  11  -2.812  -9.769  -4.097
   88    HE3  LYS  11          1HE       LYS  11  -2.832 -10.860  -5.479
   89    HZ1  LYS  11          1HZ       LYS  11  -1.220 -11.571  -3.793
   90    HZ2  LYS  11          2HZ       LYS  11  -0.436 -10.116  -3.880
   91    HZ3  LYS  11          3HZ       LYS  11  -0.413 -11.149  -5.205
   92    H    ASP  12           HN       ASP  12  -0.187  -3.243  -5.233
   93    HA   ASP  12           HA       ASP  12   1.208  -2.621  -7.724
   94    HB2  ASP  12          2HB       ASP  12  -0.999  -1.504  -7.204
   95    HB3  ASP  12          1HB       ASP  12  -0.248  -0.780  -5.788
   96    H    ARG  13           HN       ARG  13   3.096  -1.315  -7.650
   97    HA   ARG  13           HA       ARG  13   4.833  -1.919  -5.563
   98    HB2  ARG  13          2HB       ARG  13   5.089   0.219  -7.667
   99    HB3  ARG  13          1HB       ARG  13   6.372  -0.234  -6.558
  100    HG2  ARG  13          2HG       ARG  13   6.326  -2.513  -7.454
  101    HG3  ARG  13          1HG       ARG  13   5.080  -2.030  -8.603
  102    HD2  ARG  13          2HD       ARG  13   7.864  -0.893  -8.402
  103    HD3  ARG  13          1HD       ARG  13   7.301  -2.022  -9.630
  104    HE   ARG  13           HE       ARG  13   5.606   0.114  -9.775
  105   HH11  ARG  13          1HH1      ARG  13   9.093  -0.404 -10.176
  106   HH12  ARG  13          2HH1      ARG  13   9.315   0.931 -11.215
  107   HH21  ARG  13          1HH2      ARG  13   5.942   1.975 -11.247
  108   HH22  ARG  13          2HH2      ARG  13   7.510   2.261 -11.848
  109    H    ARG  14           HN       ARG  14   2.679   0.786  -5.911
  110    HA   ARG  14           HA       ARG  14   3.903   2.584  -4.135
  111    HB2  ARG  14          2HB       ARG  14   0.996   2.208  -4.796
  112    HB3  ARG  14          1HB       ARG  14   1.648   3.579  -3.911
  113    HG2  ARG  14          2HG       ARG  14   2.916   4.280  -5.821
  114    HG3  ARG  14          1HG       ARG  14   2.464   2.816  -6.699
  115    HD2  ARG  14          2HD       ARG  14   0.107   3.498  -6.498
  116    HD3  ARG  14          1HD       ARG  14   0.634   5.028  -5.801
  117    HE   ARG  14           HE       ARG  14   1.916   5.277  -7.946
  118   HH11  ARG  14          1HH1      ARG  14  -1.122   3.468  -7.746
  119   HH12  ARG  14          2HH1      ARG  14  -1.587   3.735  -9.356
  120   HH21  ARG  14          1HH2      ARG  14   1.299   5.655 -10.186
  121   HH22  ARG  14          2HH2      ARG  14  -0.164   5.038 -10.793
  122    H    CYS  15           HN       CYS  15   2.089  -0.307  -3.516
  123    HA   CYS  15           HA       CYS  15   2.338   0.289  -0.669
  124    HB2  CYS  15          2HB       CYS  15   0.029  -0.989  -2.094
  125    HB3  CYS  15          1HB       CYS  15   0.327  -1.235  -0.369
  126    H    LYS  16           HN       LYS  16   3.918  -1.227  -2.774
  127    HA   LYS  16           HA       LYS  16   3.675  -3.924  -1.824
  128    HB2  LYS  16          2HB       LYS  16   4.286  -3.458  -4.169
  129    HB3  LYS  16          1HB       LYS  16   5.788  -2.723  -3.623
  130    HG2  LYS  16          2HG       LYS  16   6.487  -4.868  -2.687
  131    HG3  LYS  16          1HG       LYS  16   4.987  -5.603  -3.251
  132    HD2  LYS  16          2HD       LYS  16   5.606  -5.021  -5.563
  133    HD3  LYS  16          1HD       LYS  16   7.129  -4.356  -4.970
  134    HE2  LYS  16          2HE       LYS  16   6.221  -7.220  -4.682
  135    HE3  LYS  16          1HE       LYS  16   7.400  -6.631  -5.847
  136    HZ1  LYS  16          1HZ       LYS  16   8.501  -7.613  -3.954
  137    HZ2  LYS  16          2HZ       LYS  16   7.717  -6.608  -2.875
  138    HZ3  LYS  16          3HZ       LYS  16   8.823  -5.970  -3.958
  139    HA   HYP  17           HA       HYP  17   7.667  -2.952   0.526
  140    HB2  HYP  17          1HB       HYP  17   8.756  -1.429  -0.956
  141    HB3  HYP  17          2HB       HYP  17   8.812  -0.609   0.616
  142    HG   HYP  17           HG       HYP  17   7.072   0.829   0.048
  143   HD22  HYP  17          1HD1      HYP  17   6.023  -0.639  -2.262
  144   HD23  HYP  17          2HD1      HYP  17   5.158  -0.131  -0.805
  145    HD1  HYP  17          2HD       HYP  17   6.980   1.012  -2.238
  146    H    LEU  18           HN       LEU  18   4.783  -1.637   1.044
  147    HA   LEU  18           HA       LEU  18   5.422  -0.113   3.435
  148    HB2  LEU  18          2HB       LEU  18   2.858  -0.403   1.897
  149    HB3  LEU  18          1HB       LEU  18   2.985   0.504   3.384
  150    HG   LEU  18           HG       LEU  18   4.348   1.140   0.757
  151   HD11  LEU  18          1HD1      LEU  18   1.983   1.743   0.870
  152   HD12  LEU  18          2HD1      LEU  18   3.016   3.171   0.869
  153   HD13  LEU  18          3HD1      LEU  18   2.277   2.619   2.368
  154   HD21  LEU  18          1HD2      LEU  18   4.582   2.493   3.434
  155   HD22  LEU  18          2HD2      LEU  18   5.152   3.144   1.901
  156   HD23  LEU  18          3HD2      LEU  18   5.875   1.670   2.547
  157    H    LYS  19           HN       LYS  19   4.758  -0.582   5.430
  158    HA   LYS  19           HA       LYS  19   4.432  -3.373   5.959
  159    HB2  LYS  19          2HB       LYS  19   4.501  -1.042   7.867
  160    HB3  LYS  19          1HB       LYS  19   4.538  -2.732   8.336
  161    HG2  LYS  19          2HG       LYS  19   6.629  -1.258   6.749
  162    HG3  LYS  19          1HG       LYS  19   6.760  -1.790   8.420
  163    HD2  LYS  19          2HD       LYS  19   6.506  -3.588   6.001
  164    HD3  LYS  19          1HD       LYS  19   7.984  -3.279   6.892
  165    HE2  LYS  19          2HE       LYS  19   6.922  -4.273   8.906
  166    HE3  LYS  19          1HE       LYS  19   5.509  -4.666   7.926
  167    HZ1  LYS  19          1HZ       LYS  19   8.264  -5.715   7.589
  168    HZ2  LYS  19          2HZ       LYS  19   7.029  -5.971   6.485
  169    HZ3  LYS  19          3HZ       LYS  19   6.893  -6.585   8.040
  170    H    CYS  20           HN       CYS  20   2.269  -0.921   5.369
  171    HA   CYS  20           HA       CYS  20   0.067  -1.921   6.897
  172    HB2  CYS  20          2HB       CYS  20   0.133   0.419   6.047
  173    HB3  CYS  20          1HB       CYS  20   0.122  -0.180   4.396
  174    H    CYS  21           HN       CYS  21   1.792  -2.997   4.214
  175    HA   CYS  21           HA       CYS  21  -0.352  -4.815   3.471
  176    HB2  CYS  21          2HB       CYS  21   1.772  -3.521   1.783
  177    HB3  CYS  21          1HB       CYS  21   0.764  -4.849   1.224
  178    H    ALA  22           HN       ALA  22   0.686  -6.871   2.475
  179    HA   ALA  22           HA       ALA  22   2.583  -7.814   4.388
  180    HB1  ALA  22          2HB       ALA  22   2.293  -9.974   3.233
  181    HB2  ALA  22          3HB       ALA  22   1.324  -9.168   2.006
  182    HB3  ALA  22          1HB       ALA  22   0.747  -9.242   3.667
  183    HN1  NH2  23          2H        ALA  22   4.261  -7.770   0.669
  184    HN2  NH2  23          1H        ALA  22   2.578  -8.097   0.890
  Start of MODEL   20
    1    H1   ARG   1          1HT       ARG   1   0.385   8.874  -1.512
    2    H2   ARG   1          2HT       ARG   1  -1.130   9.450  -1.902
    3    H3   ARG   1          3HT       ARG   1   0.125   9.564  -3.042
    4    HA   ARG   1           HA       ARG   1  -1.403   7.788  -3.561
    5    HB2  ARG   1          2HB       ARG   1   0.972   7.446  -4.120
    6    HB3  ARG   1          1HB       ARG   1   1.279   6.817  -2.511
    7    HG2  ARG   1          2HG       ARG   1   1.184   5.029  -4.151
    8    HG3  ARG   1          1HG       ARG   1  -0.144   4.884  -3.001
    9    HD2  ARG   1          2HD       ARG   1  -0.888   4.456  -5.286
   10    HD3  ARG   1          1HD       ARG   1  -1.660   5.889  -4.619
   11    HE   ARG   1           HE       ARG   1   0.725   6.407  -6.149
   12   HH11  ARG   1          1HH1      ARG   1  -2.811   6.183  -6.227
   13   HH12  ARG   1          2HH1      ARG   1  -2.964   6.932  -7.746
   14   HH21  ARG   1          1HH2      ARG   1   0.509   7.468  -8.237
   15   HH22  ARG   1          2HH2      ARG   1  -1.033   7.665  -8.919
   16    H    ASP   2           HN       ASP   2  -3.141   7.310  -2.351
   17    HA   ASP   2           HA       ASP   2  -2.856   6.308   0.349
   18    HB2  ASP   2          2HB       ASP   2  -5.352   6.584  -1.342
   19    HB3  ASP   2          1HB       ASP   2  -5.320   6.188   0.365
   20    H    CYS   3           HN       CYS   3  -2.326   4.258   0.542
   21    HA   CYS   3           HA       CYS   3  -3.617   2.378  -1.280
   22    HB2  CYS   3          2HB       CYS   3  -1.162   2.576  -1.674
   23    HB3  CYS   3          1HB       CYS   3  -0.896   2.014  -0.027
   24    H    CYS   4           HN       CYS   4  -2.290   2.861   1.989
   25    HA   CYS   4           HA       CYS   4  -3.282   0.436   3.086
   26    HB2  CYS   4          2HB       CYS   4  -2.487   3.028   4.422
   27    HB3  CYS   4          1HB       CYS   4  -2.882   1.550   5.286
   28    H    THR   5           HN       THR   5  -4.800   3.477   2.512
   29    HA   THR   5           HA       THR   5  -6.893   3.075   4.335
   30    HB   THR   5           HB       THR   5  -6.943   4.747   1.801
   31    HG1  THR   5          1HG       THR   5  -6.463   6.427   3.447
   32   HG21  THR   5          1HG2      THR   5  -8.701   5.994   2.991
   33   HG22  THR   5          2HG2      THR   5  -8.504   4.894   4.371
   34   HG23  THR   5          3HG2      THR   5  -9.120   4.274   2.852
   35    HA   HYP   6           HA       HYP   6  -8.641  -0.283   1.989
   36    HB2  HYP   6          1HB       HYP   6  -9.919  -1.349   3.568
   37    HB3  HYP   6          2HB       HYP   6 -11.003   0.045   3.731
   38    HG   HYP   6           HG       HYP   6  -9.682  -0.014   5.794
   39   HD22  HYP   6          1HD1      HYP   6  -8.163   1.983   5.206
   40   HD23  HYP   6          2HD1      HYP   6  -9.840   2.173   4.609
   41    HD1  HYP   6          2HD       HYP   6  -7.404   0.269   4.452
   42    HA   HYP   7           HA       HYP   7 -10.078  -1.706   0.942
   43    HB2  HYP   7          1HB       HYP   7 -11.382  -2.370  -0.806
   44    HB3  HYP   7          2HB       HYP   7 -10.218  -1.644  -1.922
   45    HG   HYP   7           HG       HYP   7 -12.069  -0.252  -2.360
   46   HD22  HYP   7          1HD1      HYP   7 -11.889   1.639  -0.493
   47   HD23  HYP   7          2HD1      HYP   7 -10.416   1.275  -1.431
   48    HD1  HYP   7          2HD       HYP   7 -12.777  -0.237   0.313
   49    H    LYS   8           HN       LYS   8  -8.065  -2.006   1.350
   50    HA   LYS   8           HA       LYS   8  -6.038  -0.689  -0.197
   51    HB2  LYS   8          2HB       LYS   8  -4.466  -1.915   1.431
   52    HB3  LYS   8          1HB       LYS   8  -5.431  -0.585   2.044
   53    HG2  LYS   8          2HG       LYS   8  -6.874  -1.956   3.084
   54    HG3  LYS   8          1HG       LYS   8  -6.294  -3.428   2.275
   55    HD2  LYS   8          2HD       LYS   8  -4.110  -3.103   3.482
   56    HD3  LYS   8          1HD       LYS   8  -4.779  -1.677   4.266
   57    HE2  LYS   8          2HE       LYS   8  -5.820  -4.497   4.593
   58    HE3  LYS   8          1HE       LYS   8  -4.757  -3.678   5.726
   59    HZ1  LYS   8          1HZ       LYS   8  -6.543  -2.003   6.067
   60    HZ2  LYS   8          2HZ       LYS   8  -6.977  -3.539   6.507
   61    HZ3  LYS   8          3HZ       LYS   8  -7.577  -2.902   5.083
   62    H    LYS   9           HN       LYS   9  -5.018  -1.500  -1.685
   63    HA   LYS   9           HA       LYS   9  -5.008  -4.378  -2.148
   64    HB2  LYS   9          2HB       LYS   9  -5.758  -2.258  -4.179
   65    HB3  LYS   9          1HB       LYS   9  -5.446  -3.942  -4.576
   66    HG2  LYS   9          2HG       LYS   9  -7.339  -4.647  -3.226
   67    HG3  LYS   9          1HG       LYS   9  -7.620  -2.986  -2.716
   68    HD2  LYS   9          2HD       LYS   9  -7.770  -3.959  -5.565
   69    HD3  LYS   9          1HD       LYS   9  -9.154  -3.814  -4.484
   70    HE2  LYS   9          2HE       LYS   9  -8.672  -1.395  -4.250
   71    HE3  LYS   9          1HE       LYS   9  -7.355  -1.569  -5.408
   72    HZ1  LYS   9          1HZ       LYS   9  -8.963  -2.271  -7.072
   73    HZ2  LYS   9          2HZ       LYS   9  -9.385  -0.762  -6.461
   74    HZ3  LYS   9          3HZ       LYS   9 -10.218  -2.122  -5.965
   75    H    CYS  10           HN       CYS  10  -2.960  -4.776  -1.944
   76    HA   CYS  10           HA       CYS  10  -0.919  -2.878  -2.571
   77    HB2  CYS  10          2HB       CYS  10  -0.660  -4.475  -0.707
   78    HB3  CYS  10          1HB       CYS  10  -0.672  -5.813  -1.844
   79    H    LYS  11           HN       LYS  11  -1.349  -2.469  -4.752
   80    HA   LYS  11           HA       LYS  11  -0.354  -4.551  -6.581
   81    HB2  LYS  11          2HB       LYS  11  -2.717  -4.043  -6.992
   82    HB3  LYS  11          1HB       LYS  11  -2.335  -2.339  -7.179
   83    HG2  LYS  11          2HG       LYS  11  -0.929  -2.912  -9.139
   84    HG3  LYS  11          1HG       LYS  11  -1.444  -4.586  -8.974
   85    HD2  LYS  11          2HD       LYS  11  -3.283  -2.237  -9.454
   86    HD3  LYS  11          1HD       LYS  11  -2.708  -3.345 -10.696
   87    HE2  LYS  11          2HE       LYS  11  -3.819  -5.205  -9.531
   88    HE3  LYS  11          1HE       LYS  11  -4.406  -4.079  -8.306
   89    HZ1  LYS  11          1HZ       LYS  11  -5.649  -2.915 -10.031
   90    HZ2  LYS  11          2HZ       LYS  11  -6.090  -4.529  -9.974
   91    HZ3  LYS  11          3HZ       LYS  11  -5.072  -3.986 -11.194
   92    H    ASP  12           HN       ASP  12  -0.403  -1.099  -5.845
   93    HA   ASP  12           HA       ASP  12   1.510  -0.474  -7.875
   94    HB2  ASP  12          2HB       ASP  12  -0.177   1.191  -7.045
   95    HB3  ASP  12          1HB       ASP  12   0.661   1.211  -5.499
   96    H    ARG  13           HN       ARG  13   3.696   0.121  -7.537
   97    HA   ARG  13           HA       ARG  13   5.123  -1.475  -5.743
   98    HB2  ARG  13          2HB       ARG  13   6.062   1.011  -7.169
   99    HB3  ARG  13          1HB       ARG  13   7.095  -0.146  -6.347
  100    HG2  ARG  13          2HG       ARG  13   6.380  -1.884  -7.926
  101    HG3  ARG  13          1HG       ARG  13   5.379  -0.692  -8.759
  102    HD2  ARG  13          2HD       ARG  13   7.358   0.623  -9.300
  103    HD3  ARG  13          1HD       ARG  13   8.376  -0.516  -8.424
  104    HE   ARG  13           HE       ARG  13   6.854  -1.804 -10.430
  105   HH11  ARG  13          1HH1      ARG  13   9.778   0.174  -9.993
  106   HH12  ARG  13          2HH1      ARG  13  10.546  -0.396 -11.387
  107   HH21  ARG  13          1HH2      ARG  13   7.969  -2.613 -12.372
  108   HH22  ARG  13          2HH2      ARG  13   9.513  -2.024 -12.756
  109    H    ARG  14           HN       ARG  14   3.819   1.748  -5.352
  110    HA   ARG  14           HA       ARG  14   5.372   2.518  -3.104
  111    HB2  ARG  14          2HB       ARG  14   2.646   3.417  -4.039
  112    HB3  ARG  14          1HB       ARG  14   3.498   4.155  -2.695
  113    HG2  ARG  14          2HG       ARG  14   4.548   4.022  -5.507
  114    HG3  ARG  14          1HG       ARG  14   3.687   5.401  -4.826
  115    HD2  ARG  14          2HD       ARG  14   5.409   5.736  -3.189
  116    HD3  ARG  14          1HD       ARG  14   6.235   4.257  -3.677
  117    HE   ARG  14           HE       ARG  14   6.155   5.623  -5.943
  118   HH11  ARG  14          1HH1      ARG  14   7.134   6.680  -2.702
  119   HH12  ARG  14          2HH1      ARG  14   8.371   7.712  -3.262
  120   HH21  ARG  14          1HH2      ARG  14   7.867   7.031  -6.701
  121   HH22  ARG  14          2HH2      ARG  14   8.809   7.906  -5.588
  122    H    CYS  15           HN       CYS  15   2.855   0.268  -3.471
  123    HA   CYS  15           HA       CYS  15   1.973   0.396  -0.735
  124    HB2  CYS  15          2HB       CYS  15   1.384  -1.631  -2.889
  125    HB3  CYS  15          1HB       CYS  15   0.569  -1.502  -1.335
  126    H    LYS  16           HN       LYS  16   4.603  -0.930  -2.359
  127    HA   LYS  16           HA       LYS  16   4.587  -3.435  -0.970
  128    HB2  LYS  16          2HB       LYS  16   6.617  -2.242  -2.829
  129    HB3  LYS  16          1HB       LYS  16   6.807  -3.820  -2.069
  130    HG2  LYS  16          2HG       LYS  16   4.699  -4.546  -3.151
  131    HG3  LYS  16          1HG       LYS  16   4.612  -2.984  -3.960
  132    HD2  LYS  16          2HD       LYS  16   5.537  -4.675  -5.453
  133    HD3  LYS  16          1HD       LYS  16   6.753  -3.457  -5.078
  134    HE2  LYS  16          2HE       LYS  16   7.680  -5.737  -5.038
  135    HE3  LYS  16          1HE       LYS  16   7.805  -4.963  -3.466
  136    HZ1  LYS  16          1HZ       LYS  16   5.889  -6.253  -2.718
  137    HZ2  LYS  16          2HZ       LYS  16   7.045  -7.295  -3.338
  138    HZ3  LYS  16          3HZ       LYS  16   5.696  -6.912  -4.244
  139    HA   HYP  17           HA       HYP  17   8.035  -1.399   1.721
  140    HB2  HYP  17          1HB       HYP  17   8.808   0.567   0.683
  141    HB3  HYP  17          2HB       HYP  17   7.895   1.296   2.022
  142    HG   HYP  17           HG       HYP  17   5.942   1.478   0.694
  143   HD22  HYP  17          1HD1      HYP  17   7.515  -0.153  -1.316
  144   HD23  HYP  17          2HD1      HYP  17   5.758   0.153  -1.309
  145    HD1  HYP  17          2HD       HYP  17   6.536   2.229  -1.218
  146    H    LEU  18           HN       LEU  18   4.776  -0.987   1.531
  147    HA   LEU  18           HA       LEU  18   4.384   0.238   4.125
  148    HB2  LEU  18          2HB       LEU  18   2.368  -0.723   2.106
  149    HB3  LEU  18          1HB       LEU  18   2.006   0.160   3.571
  150    HG   LEU  18           HG       LEU  18   3.508   1.234   1.173
  151   HD11  LEU  18          1HD1      LEU  18   1.055   0.928   0.889
  152   HD12  LEU  18          2HD1      LEU  18   1.566   2.612   0.842
  153   HD13  LEU  18          3HD1      LEU  18   0.809   1.961   2.294
  154   HD21  LEU  18          1HD2      LEU  18   3.390   3.378   2.346
  155   HD22  LEU  18          2HD2      LEU  18   4.360   2.199   3.226
  156   HD23  LEU  18          3HD2      LEU  18   2.716   2.566   3.760
  157    H    LYS  19           HN       LYS  19   3.855  -0.839   5.860
  158    HA   LYS  19           HA       LYS  19   4.071  -3.653   5.997
  159    HB2  LYS  19          2HB       LYS  19   3.381  -3.348   8.369
  160    HB3  LYS  19          1HB       LYS  19   4.706  -2.300   7.881
  161    HG2  LYS  19          2HG       LYS  19   3.091  -0.460   7.587
  162    HG3  LYS  19          1HG       LYS  19   1.818  -1.525   8.162
  163    HD2  LYS  19          2HD       LYS  19   2.927  -1.760  10.292
  164    HD3  LYS  19          1HD       LYS  19   4.282  -0.787   9.719
  165    HE2  LYS  19          2HE       LYS  19   2.790   1.123   9.426
  166    HE3  LYS  19          1HE       LYS  19   1.429   0.154   9.986
  167    HZ1  LYS  19          1HZ       LYS  19   2.555  -0.094  12.109
  168    HZ2  LYS  19          2HZ       LYS  19   2.274   1.527  11.742
  169    HZ3  LYS  19          3HZ       LYS  19   3.830   0.876  11.564
  170    H    CYS  20           HN       CYS  20   1.555  -1.682   5.112
  171    HA   CYS  20           HA       CYS  20  -0.700  -3.152   5.972
  172    HB2  CYS  20          2HB       CYS  20  -0.466  -1.377   3.544
  173    HB3  CYS  20          1HB       CYS  20  -1.926  -1.763   4.452
  174    H    CYS  21           HN       CYS  21   1.675  -3.594   3.487
  175    HA   CYS  21           HA       CYS  21  -0.023  -5.213   1.829
  176    HB2  CYS  21          2HB       CYS  21   1.674  -3.714   0.815
  177    HB3  CYS  21          1HB       CYS  21   2.941  -4.608   1.637
  178    H    ALA  22           HN       ALA  22  -0.586  -6.760   3.353
  179    HA   ALA  22           HA       ALA  22   1.060  -9.069   3.454
  180    HB1  ALA  22          2HB       ALA  22   0.552  -7.614   6.062
  181    HB2  ALA  22          3HB       ALA  22   2.126  -7.835   5.293
  182    HB3  ALA  22          1HB       ALA  22   1.236  -9.231   5.901
  183    HN1  NH2  23          2H        ALA  22  -2.226 -10.235   3.404
  184    HN2  NH2  23          1H        ALA  22  -0.703 -10.067   2.597