*HEADER    DE NOVO PROTEIN                         18-JUL-16   5KWP              
*TITLE     NMR SOLUTION STRUCTURE OF DESIGNED PEPTIDE NC_EEH_D2                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DESIGNED PEPTIDE NC_EEH_D2;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    SYNTHETIC DESIGNED PEPTIDE, DE NOVO PROTEIN                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.J.HARVEY,D.J.CRAIK                                                  
*REVDAT   1   21-SEP-16 5KWP    0                                                
# Restraints file 1: design25pdb.restraints
!distance restraints
assign (resid   1 and name HG2#)   (resid   2 and name   HN)   2.975    1.175    1.175  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.430    0.630    0.630  
assign (resid   2 and name   HN)   (resid   3 and name   HA)   3.360    1.560    1.560  
assign (resid   3 and name   HA)   (resid   3 and name HG1#)   2.685    0.885    0.885  
assign (resid   3 and name   HA)   (resid   3 and name HG2#)   2.685    0.885    0.885  
assign (resid   3 and name   HN)   (resid   3 and name HG1#)   3.195    1.395    1.395  
assign (resid   3 and name   HN)   (resid   3 and name HG2#)   3.195    1.395    1.395  
assign (resid   3 and name   HN)   (resid   3 and name   HB)   2.840    1.040    1.040  
assign (resid   3 and name   HN)   (resid  18 and name  HB#)   3.180    1.380    1.380  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.205    1.405    1.405  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.445    0.645    0.645  
assign (resid   5 and name   HN)   (resid   8 and name   HB)   3.125    1.325    1.325  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.990    1.190    1.190  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.990    1.190    1.190  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   3.445    1.645    1.645  
assign (resid   6 and name   HN)   (resid   6 and name  HB#)   2.675    0.875    0.875  
assign (resid   6 and name   HN)   (resid   7 and name  HD1)   3.085    1.285    1.285  
assign (resid   6 and name   HN)   (resid   7 and name  HD2)   3.085    1.285    1.285  
assign (resid   8 and name   HA)   (resid   8 and name HG2#)   2.675    0.875    0.875  
assign (resid   8 and name   HN)   (resid   8 and name HG2#)   2.790    0.990    0.990  
assign (resid   8 and name   HN)   (resid   8 and name HG1#)   3.235    1.435    1.435  
assign (resid   3 and name HG1#)   (resid  19 and name   HN)   3.460    1.660    1.660  
assign (resid   8 and name   HN)   (resid   8 and name   HB)   2.650    0.850    0.850  
assign (resid   5 and name   HN)   (resid   8 and name   HN)   2.915    1.115    1.115  
assign (resid   9 and name   HN)   (resid   9 and name  HG2)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid   9 and name  HG1)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.735    0.935    0.935  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.735    0.935    0.935  
assign (resid   8 and name   HB)   (resid   9 and name   HN)   3.165    1.365    1.365  
assign (resid   8 and name HG2#)   (resid   9 and name   HN)   3.260    1.460    1.460  
assign (resid   8 and name HG1#)   (resid   9 and name   HN)   2.720    0.920    0.920  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.325    0.525    0.525  
assign (resid   5 and name   HN)   (resid   9 and name   HN)   3.410    1.610    1.610  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   3.590    1.790    1.790  
assign (resid  10 and name   HA)   (resid  10 and name HG2#)   2.640    0.840    0.840  
assign (resid   5 and name   HN)   (resid  22 and name  HB#)   3.585    1.785    1.785  
assign (resid  10 and name   HN)   (resid  22 and name  HB#)   3.650    1.850    1.850  
assign (resid  10 and name   HN)   (resid  10 and name   HB)   2.775    0.975    0.975  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.465    0.665    0.665  
assign (resid  11 and name   HA)   (resid  18 and name  HB#)   2.965    1.165    1.165  
assign (resid   2 and name   HA)   (resid   3 and name HG1#)   3.285    1.485    1.485  
assign (resid   2 and name   HA)   (resid   3 and name HG2#)   3.285    1.485    1.485  
assign (resid  10 and name HG1#)   (resid  11 and name   HN)   3.345    1.545    1.545  
assign (resid  10 and name HG2#)   (resid  11 and name   HN)   3.345    1.545    1.545  
assign (resid  11 and name   HN)   (resid  18 and name  HB#)   3.520    1.720    1.720  
assign (resid  10 and name   HB)   (resid  11 and name   HN)   3.375    1.575    1.575  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.365    0.565    0.565  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   3.245    1.445    1.445  
assign (resid  12 and name   HA)   (resid  12 and name  HD2)   3.025    1.225    1.225  
assign (resid  12 and name   HA)   (resid  12 and name  HD1)   3.025    1.225    1.225  
assign (resid  12 and name   HN)   (resid  18 and name  HB#)   2.635    0.835    0.835  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   3.160    1.360    1.360  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   3.160    1.360    1.360  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.375    0.575    0.575  
assign (resid  14 and name   HA)   (resid  16 and name   HN)   3.520    1.720    1.720  
assign (resid  14 and name   HA)   (resid  15 and name  HD2)   2.535    0.735    0.735  
assign (resid  14 and name   HA)   (resid  15 and name  HD1)   2.535    0.735    0.735  
assign (resid  16 and name   HA)   (resid  16 and name  HG#)   2.840    1.040    1.040  
assign (resid  16 and name   HN)   (resid  18 and name  HB#)   3.395    1.595    1.595  
assign (resid  15 and name  HG2)   (resid  16 and name   HN)   2.860    1.060    1.060  
assign (resid  15 and name  HG1)   (resid  16 and name   HN)   2.860    1.060    1.060  
assign (resid  16 and name   HN)   (resid  16 and name  HG#)   2.860    1.060    1.060  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.595    0.795    0.795  
assign (resid  17 and name   HN)   (resid  18 and name  HB#)   3.420    1.620    1.620  
assign (resid  16 and name  HG#)   (resid  17 and name   HN)   2.955    1.155    1.155  
assign (resid  18 and name   HN)   (resid  18 and name  HB#)   2.465    0.665    0.665  
assign (resid  17 and name  HB2)   (resid  18 and name   HN)   3.055    1.255    1.255  
assign (resid  17 and name  HB1)   (resid  18 and name   HN)   3.055    1.255    1.255  
assign (resid  17 and name  HG#)   (resid  18 and name   HN)   3.395    1.595    1.595  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.650    0.850    0.850  
assign (resid  19 and name   HA)   (resid  19 and name  HD#)   3.105    1.305    1.305  
assign (resid  19 and name  HB#)   (resid  19 and name  HD#)   2.605    0.805    0.805  
assign (resid   3 and name HG2#)   (resid  19 and name   HN)   3.460    1.660    1.660  
assign (resid  18 and name  HB#)   (resid  19 and name   HN)   2.645    0.845    0.845  
assign (resid  19 and name   HN)   (resid  19 and name  HB#)   2.385    0.585    0.585  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.850    1.050    1.050  
assign (resid  20 and name   HA)   (resid  20 and name  HD#)   2.995    1.195    1.195  
assign (resid  19 and name  HB#)   (resid  20 and name   HA)   2.910    1.110    1.110  
assign (resid  20 and name   HA)   (resid  20 and name  HG2)   2.960    1.160    1.160  
assign (resid  20 and name   HA)   (resid  20 and name  HG1)   2.960    1.160    1.160  
assign (resid  19 and name  HB#)   (resid  20 and name   HN)   2.520    0.720    0.720  
assign (resid  20 and name   HN)   (resid  20 and name  HG2)   3.260    1.460    1.460  
assign (resid  20 and name   HN)   (resid  20 and name  HG1)   3.260    1.460    1.460  
assign (resid  19 and name  HD#)   (resid  20 and name   HN)   3.580    1.780    1.780  
assign (resid  20 and name   HN)   (resid  20 and name  HD#)   3.650    1.850    1.850  
assign (resid  20 and name  HG2)   (resid  21 and name   HN)   3.500    1.700    1.700  
assign (resid  20 and name  HG1)   (resid  21 and name   HN)   3.500    1.700    1.700  
assign (resid  21 and name   HN)   (resid  21 and name  HB#)   2.460    0.660    0.660  
assign (resid  21 and name   HN)   (resid  21 and name  HG2)   3.015    1.215    1.215  
assign (resid  21 and name   HN)   (resid  21 and name  HG1)   3.015    1.215    1.215  
assign (resid  18 and name   HA)   (resid  21 and name   HN)   3.295    1.495    1.495  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   3.055    1.255    1.255  
assign (resid  10 and name HG1#)   (resid  22 and name   HN)   3.165    1.365    1.365  
assign (resid  10 and name HG2#)   (resid  22 and name   HN)   3.165    1.365    1.365  
assign (resid  22 and name   HN)   (resid  22 and name  HB#)   2.440    0.640    0.640  
assign (resid  21 and name  HB#)   (resid  22 and name   HN)   2.715    0.915    0.915  
assign (resid  19 and name  HB#)   (resid  22 and name   HN)   3.550    1.750    1.750  
assign (resid  18 and name   HA)   (resid  22 and name   HN)   3.650    1.850    1.850  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   2.830    1.030    1.030  
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   2.680    0.880    0.880  
assign (resid  23 and name   HN)   (resid  23 and name  HG2)   2.985    1.185    1.185  
assign (resid  23 and name   HN)   (resid  23 and name  HG1)   2.985    1.185    1.185  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   3.005    1.205    1.205  
assign (resid  22 and name  HB#)   (resid  24 and name   HN)   3.480    1.680    1.680  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.465    0.665    0.665  
assign (resid  23 and name  HG2)   (resid  24 and name   HN)   3.440    1.640    1.640  
assign (resid  24 and name   HN)   (resid  24 and name  HG2)   3.610    1.810    1.810  
assign (resid  23 and name  HG1)   (resid  24 and name   HN)   3.440    1.640    1.640  
assign (resid  24 and name   HN)   (resid  24 and name  HG1)   3.610    1.810    1.810  
assign (resid  21 and name   HA)   (resid  24 and name   HN)   3.040    1.240    1.240  
assign (resid  25 and name   HA)   (resid  25 and name  HD2)   3.595    1.795    1.795  
assign (resid  25 and name   HA)   (resid  25 and name  HD1)   3.595    1.795    1.795  
assign (resid  25 and name   HA)   (resid  25 and name  HG2)   3.010    1.210    1.210  
assign (resid  25 and name   HA)   (resid  25 and name  HG1)   3.010    1.210    1.210  
assign (resid  25 and name   HN)   (resid  25 and name  HD2)   3.650    1.850    1.850  
assign (resid  25 and name   HN)   (resid  25 and name  HD1)   3.650    1.850    1.850  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   3.135    1.335    1.335  
assign (resid  23 and name   HA)   (resid  26 and name  HB2)   3.010    1.210    1.210  
assign (resid  23 and name   HA)   (resid  26 and name  HB1)   3.010    1.210    1.210  
assign (resid  16 and name   HA)   (resid  19 and name  HD#)   3.290    1.490    1.490  
assign (resid  25 and name  HB1)   (resid  26 and name   HN)   3.410    1.610    1.610  
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   3.410    1.610    1.610  
assign (resid  26 and name   HN)   (resid  26 and name  HB2)   2.895    1.095    1.095  
assign (resid  26 and name   HN)   (resid  26 and name  HB1)   2.895    1.095    1.095  
assign (resid  23 and name   HA)   (resid  26 and name   HN)   3.270    1.470    1.470  
assign (resid   3 and name HG1#)   (resid   4 and name   HN)   3.185    1.385    1.385  
assign (resid   3 and name HG2#)   (resid   4 and name   HN)   3.185    1.385    1.385  
assign (resid   3 and name   HB)   (resid   4 and name   HN)   2.740    0.940    0.940  
assign (resid   4 and name   HN)   (resid   4 and name  HG2)   3.290    1.490    1.490  
assign (resid   4 and name   HN)   (resid   4 and name  HG1)   3.290    1.490    1.490  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.380    0.580    0.580  
assign (resid  15 and name   HA)   (resid  18 and name  HB#)   2.705    0.905    0.905  
assign (resid  16 and name   HA)   (resid  19 and name  HB#)   2.775    0.975    0.975  
assign (resid  10 and name   HA)   (resid  10 and name HG1#)   2.640    0.840    0.840  
assign (resid   8 and name   HA)   (resid   8 and name HG1#)   2.575    0.775    0.775  
assign (resid   1 and name   HA)   (resid   1 and name HG2#)   2.660    0.860    0.860  
assign (resid   3 and name HG1#)   (resid  19 and name   HA)   2.855    1.055    1.055  
assign (resid   3 and name HG2#)   (resid  19 and name   HA)   2.855    1.055    1.055  
assign (resid  12 and name  HB2)   (resid  18 and name  HB#)   2.715    0.915    0.915  
assign (resid  12 and name  HB1)   (resid  18 and name  HB#)   2.715    0.915    0.915  
assign (resid   2 and name   HA)   (resid  18 and name  HB#)   3.230    1.430    1.430  
assign (resid  12 and name   HA)   (resid  13 and name  HD2)   2.705    0.905    0.905  
assign (resid  12 and name   HA)   (resid  13 and name  HD1)   2.705    0.905    0.905  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.565    0.765    0.765  
assign (resid   2 and name   HA)   (resid   3 and name  HG*)   2.950    1.150    1.150  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.835    1.035    1.035  
assign (resid   3 and name   HN)   (resid   3 and name  HG*)   2.760    0.960    0.960  
assign (resid   3 and name  HG*)   (resid   4 and name   HN)   2.695    0.895    0.895  
assign (resid   3 and name  HG*)   (resid  18 and name   HN)   3.555    1.755    1.755  
assign (resid   3 and name  HG*)   (resid  18 and name  HB#)   2.700    0.900    0.900  
assign (resid   3 and name  HG*)   (resid  19 and name   HN)   2.965    1.165    1.165  
assign (resid   3 and name  HG*)   (resid  19 and name   HA)   2.595    0.795    0.795  
assign (resid   3 and name  HG*)   (resid  20 and name   HN)   3.620    1.820    1.820  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.595    0.795    0.795  
assign (resid   4 and name   HN)   (resid   4 and name  HG#)   2.990    1.190    1.190  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.845    1.045    1.045  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.735    0.935    0.935  
assign (resid   5 and name   HN)   (resid   7 and name  HD#)   3.515    1.715    1.715  
assign (resid   5 and name  HB#)   (resid   8 and name   HN)   3.570    1.770    1.770  
assign (resid   5 and name  HB#)   (resid  22 and name  HB#)   3.055    1.255    1.255  
assign (resid   6 and name   HN)   (resid   7 and name  HD#)   2.755    0.955    0.955  
assign (resid   6 and name  HB#)   (resid   7 and name  HD#)   2.435    0.635    0.635  
assign (resid   7 and name  HD#)   (resid   8 and name   HN)   2.880    1.080    1.080  
assign (resid   9 and name   HN)   (resid   9 and name  HB#)   2.480    0.680    0.680  
assign (resid   9 and name   HN)   (resid   9 and name  HG#)   3.280    1.480    1.480  
assign (resid   9 and name  HB#)   (resid   9 and name  HE#)   2.900    1.100    1.100  
assign (resid   9 and name  HG#)   (resid  10 and name   HN)   3.200    1.400    1.400  
assign (resid  10 and name   HN)   (resid  10 and name  HG*)   2.860    1.060    1.060  
assign (resid  10 and name   HA)   (resid  10 and name  HG*)   2.395    0.595    0.595  
assign (resid  10 and name  HG*)   (resid  11 and name   HN)   2.760    0.960    0.960  
assign (resid  10 and name  HG*)   (resid  18 and name   HA)   2.740    0.940    0.940  
assign (resid  10 and name  HG*)   (resid  18 and name  HB#)   2.615    0.815    0.815  
assign (resid  10 and name  HG*)   (resid  22 and name   HA)   2.720    0.920    0.920  
assign (resid  10 and name  HG*)   (resid  22 and name  HB#)   3.010    1.210    1.210  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.610    0.810    0.810  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.795    0.995    0.995  
assign (resid  12 and name   HN)   (resid  12 and name  HB#)   2.655    0.855    0.855  
assign (resid  12 and name   HN)   (resid  13 and name  HD#)   3.245    1.445    1.445  
assign (resid  12 and name   HA)   (resid  12 and name  HD#)   2.770    0.970    0.970  
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.460    0.660    0.660  
assign (resid  12 and name  HB#)   (resid  12 and name  HD#)   2.565    0.765    0.765  
assign (resid  12 and name  HB#)   (resid  13 and name  HD#)   3.005    1.205    1.205  
assign (resid  12 and name  HB#)   (resid  14 and name   HN)   2.895    1.095    1.095  
assign (resid  12 and name  HB#)   (resid  18 and name   HN)   2.930    1.130    1.130  
assign (resid  13 and name  HG#)   (resid  14 and name   HN)   3.225    1.425    1.425  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.180    1.380    1.380  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.720    0.920    0.920  
assign (resid  14 and name   HN)   (resid  17 and name  HB#)   3.570    1.770    1.770  
assign (resid  14 and name   HA)   (resid  15 and name  HG#)   3.215    1.415    1.415  
assign (resid  14 and name   HA)   (resid  15 and name  HD#)   2.315    0.515    0.515  
assign (resid  14 and name  HB#)   (resid  15 and name   HA)   3.330    1.530    1.530  
assign (resid  14 and name  HB#)   (resid  15 and name  HD#)   2.875    1.075    1.075  
assign (resid  14 and name  HB#)   (resid  16 and name   HN)   3.540    1.740    1.740  
assign (resid  14 and name  HB#)   (resid  17 and name   HN)   2.925    1.125    1.125  
assign (resid  14 and name  HB#)   (resid  17 and name  HB#)   2.585    0.785    0.785  
assign (resid  15 and name  HG#)   (resid  16 and name   HN)   2.445    0.645    0.645  
assign (resid  15 and name  HD#)   (resid  16 and name   HN)   2.830    1.030    1.030  
assign (resid  17 and name   HN)   (resid  17 and name  HB#)   2.405    0.605    0.605  
assign (resid  17 and name  HB#)   (resid  18 and name   HN)   2.745    0.945    0.945  
assign (resid  19 and name   HN)   (resid  19 and name  HG#)   3.310    1.510    1.510  
assign (resid  19 and name   HA)   (resid  19 and name  HG#)   2.745    0.945    0.945  
assign (resid  20 and name   HN)   (resid  20 and name  HB#)   2.540    0.740    0.740  
assign (resid  20 and name   HN)   (resid  20 and name  HG#)   2.950    1.150    1.150  
assign (resid  20 and name   HA)   (resid  20 and name  HG#)   2.710    0.910    0.910  
assign (resid  20 and name  HB#)   (resid  20 and name  HG#)   2.010    0.210    0.210  
assign (resid  20 and name  HB#)   (resid  20 and name  HD#)   2.710    0.910    0.910  
assign (resid  20 and name  HB#)   (resid  21 and name   HN)   2.700    0.900    0.900  
assign (resid  21 and name   HN)   (resid  21 and name  HG#)   2.625    0.825    0.825  
assign (resid  21 and name   HA)   (resid  21 and name  HG#)   2.760    0.960    0.960  
assign (resid  21 and name  HG#)   (resid  22 and name   HN)   3.570    1.770    1.770  
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   2.695    0.895    0.895  
assign (resid  23 and name   HN)   (resid  23 and name  HG#)   2.690    0.890    0.890  
assign (resid  23 and name   HA)   (resid  26 and name  HB#)   2.755    0.955    0.955  
assign (resid  23 and name  HG#)   (resid  24 and name   HN)   3.100    1.300    1.300  
assign (resid  24 and name   HN)   (resid  24 and name  HG#)   3.255    1.455    1.455  
assign (resid  24 and name  HG#)   (resid  25 and name   HN)   3.460    1.660    1.660  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.465    0.665    0.665  
assign (resid  25 and name   HA)   (resid  25 and name  HD#)   3.215    1.415    1.415  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   3.060    1.260    1.260  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.570    0.770    0.770  
!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 -123.6   20.0 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 -120.0   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  145.0   23.1 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -103.5   28.2 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  126.3   20.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0 -100.0   60.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0  129.9   28.6 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -97.8   26.3 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  131.2   20.9 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0  -93.1   29.2 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  124.6   22.4 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -111.6   20.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  130.0   30.0 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0 -120.0   30.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  140.0   30.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0 -130.7   39.1 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  126.9   51.5 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0 -106.4   46.6 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  107.2   66.9 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0  -65.4   20.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0  -38.0   20.0 2
assign (resid 16    and name C    ) (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    )    1.0  -70.0   20.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0  -38.0   20.0 2
assign (resid 17    and name C    ) (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    )    1.0  -64.8   20.0 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    ) (resid 19    and name N    )    1.0  -41.0   20.0 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0  -65.0   20.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  -40.7   20.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0  -66.1   20.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  -41.8   20.0 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0  -67.8   20.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  -40.0   20.0 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0  -65.3   20.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  -40.2   20.0 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -66.4   20.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  -31.0   20.0 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -70.8   20.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  -25.2   20.0 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0  -68.3   30.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  142.3   30.0 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name CB   ) (resid 2     and name SG   )    1.0  -60.0   30.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name CB   ) (resid 4     and name CG   )    1.0 -120.0   90.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name CB   ) (resid 11    and name SG   )    1.0  -60.0   30.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name CB   ) (resid 14    and name CG   )    1.0  -60.0   30.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name CB   ) (resid 25    and name CG   )    1.0 -120.0   90.0 2
!hbond restraints
assign (resid 3 and name HN)(resid 10 and name O) 0 0 2
assign (resid 3 and name N)(resid 10 and name O) 0 0 3
assign (resid 5 and name HN)(resid 8 and name O) 0 0 2
assign (resid 5 and name N)(resid 8 and name O) 0 0 3
assign (resid 8 and name HN)(resid 5 and name O) 0 0 2
assign (resid 8 and name N)(resid 5 and name O) 0 0 3
assign (resid 10 and name HN)(resid 3 and name O) 0 0 2
assign (resid 10 and name N)(resid 3 and name O) 0 0 3
assign (resid 12 and name HN)(resid 1 and name O) 0 0 2
assign (resid 12 and name N)(resid 1 and name O) 0 0 3
assign (resid 19 and name HN)(resid 15 and name O) 0 0 2
assign (resid 19 and name N)(resid 15 and name O) 0 0 3
assign (resid 20 and name HN)(resid 16 and name O) 0 0 2
assign (resid 20 and name N)(resid 16 and name O) 0 0 3
assign (resid 22 and name HN)(resid 18 and name O) 0 0 2
assign (resid 22 and name N)(resid 18 and name O) 0 0 3
assign (resid 23 and name HN)(resid 19 and name O) 0 0 2
assign (resid 23 and name N)(resid 19 and name O) 0 0 3
assign (resid 26 and name HN)(resid 22 and name O) 0 0 2
assign (resid 26 and name N)(resid 22 and name O) 0 0 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1          1HT       THR   1  -4.707  -7.192   1.046
    2    H2   THR   1          2HT       THR   1  -3.691  -8.209   1.980
    3    H3   THR   1          3HT       THR   1  -3.033  -7.110   0.877
    4    HA   THR   1           HA       THR   1  -4.592  -6.334   3.212
    5    HB   THR   1           HB       THR   1  -1.596  -6.187   2.833
    6    HG1  THR   1          1HG       THR   1  -2.823  -8.086   4.524
    7   HG21  THR   1          1HG2      THR   1  -1.669  -5.979   5.304
    8   HG22  THR   1          2HG2      THR   1  -3.431  -6.015   5.232
    9   HG23  THR   1          3HG2      THR   1  -2.542  -4.684   4.489
   10    H    CYS   2           H        CYS   2  -5.115  -4.183   3.100
   11    HA   CYS   2           HA       CYS   2  -3.974  -2.645   0.883
   12    HB2  CYS   2          2HB       CYS   2  -6.673  -2.361   2.204
   13    HB3  CYS   2          1HB       CYS   2  -6.057  -1.353   0.904
   14    H    VAL   3           H        VAL   3  -2.636  -1.150   1.512
   15    HA   VAL   3           HA       VAL   3  -3.081   0.135   4.095
   16    HB   VAL   3           HB       VAL   3  -0.754   1.026   3.899
   17   HG11  VAL   3          1HG1      VAL   3  -0.929  -1.970   3.627
   18   HG12  VAL   3          2HG1      VAL   3  -1.091  -1.039   5.118
   19   HG13  VAL   3          3HG1      VAL   3   0.452  -1.080   4.267
   20   HG21  VAL   3          1HG2      VAL   3  -0.607  -0.687   1.421
   21   HG22  VAL   3          2HG2      VAL   3   0.769   0.107   2.185
   22   HG23  VAL   3          3HG2      VAL   3  -0.529   1.075   1.479
   23    H    GLU   4           H        GLU   4  -3.505   2.283   4.163
   24    HA   GLU   4           HA       GLU   4  -3.922   3.545   1.548
   25    HB2  GLU   4          2HB       GLU   4  -5.721   3.740   3.970
   26    HB3  GLU   4          1HB       GLU   4  -5.996   4.494   2.404
   27    HG2  GLU   4          2HG       GLU   4  -6.206   2.328   1.354
   28    HG3  GLU   4          1HG       GLU   4  -5.825   1.526   2.870
   29    H    CYS   5           H        CYS   5  -2.952   5.402   1.330
   30    HA   CYS   5           HA       CYS   5  -2.362   7.019   3.682
   31    HB2  CYS   5          2HB       CYS   5  -0.084   7.464   2.739
   32    HB3  CYS   5          1HB       CYS   5  -0.309   5.814   3.311
   33    H    DAL   6           H        DAL   6  -3.236   8.915   3.362
   34    HA   DAL   6           HA       DAL   6  -2.662  10.641   1.295
   35    HB1  DAL   6          1HB       DAL   6  -4.361  12.107   2.149
   36    HB2  DAL   6          2HB       DAL   6  -3.511  11.342   3.493
   37    HB3  DAL   6          3HB       DAL   6  -5.117  10.780   3.029
   38    HA   DPR   7           HA       DPR   7  -6.653   9.600  -1.103
   39    HB2  DPR   7          1HB       DPR   7  -8.138   7.445  -0.542
   40    HB3  DPR   7          2HB       DPR   7  -8.329   8.951   0.368
   41    HG2  DPR   7          1HG       DPR   7  -6.787   6.481   1.095
   42    HG3  DPR   7          2HG       DPR   7  -7.922   7.411   2.090
   43    HD2  DPR   7          1HD       DPR   7  -5.222   7.711   2.250
   44    HD3  DPR   7          2HD       DPR   7  -6.363   9.031   2.569
   45    H    VAL   8           H        VAL   8  -4.000   7.758  -0.590
   46    HA   VAL   8           HA       VAL   8  -4.347   6.298  -3.073
   47    HB   VAL   8           HB       VAL   8  -1.901   6.502  -1.261
   48   HG11  VAL   8          1HG1      VAL   8  -2.131   5.464  -4.089
   49   HG12  VAL   8          2HG1      VAL   8  -1.861   4.489  -2.646
   50   HG13  VAL   8          3HG1      VAL   8  -0.632   5.640  -3.175
   51   HG21  VAL   8          1HG2      VAL   8  -2.480   8.672  -2.197
   52   HG22  VAL   8          2HG2      VAL   8  -2.538   7.978  -3.816
   53   HG23  VAL   8          3HG2      VAL   8  -1.006   8.056  -2.948
   54    H    LYS   9           H        LYS   9  -4.705   4.162  -3.150
   55    HA   LYS   9           HA       LYS   9  -4.949   2.739  -0.588
   56    HB2  LYS   9          2HB       LYS   9  -7.054   3.428  -1.863
   57    HB3  LYS   9          1HB       LYS   9  -6.542   2.319  -3.116
   58    HG2  LYS   9          2HG       LYS   9  -6.626   0.489  -1.411
   59    HG3  LYS   9          1HG       LYS   9  -7.348   1.655  -0.296
   60    HD2  LYS   9          2HD       LYS   9  -9.079   2.107  -2.078
   61    HD3  LYS   9          1HD       LYS   9  -8.446   0.702  -2.930
   62    HE2  LYS   9          2HE       LYS   9 -10.324  -0.027  -1.690
   63    HE3  LYS   9          1HE       LYS   9  -8.900  -0.626  -0.837
   64    HZ1  LYS   9          1HZ       LYS   9 -10.517   1.758  -0.114
   65    HZ2  LYS   9          2HZ       LYS   9  -9.148   1.297   0.717
   66    HZ3  LYS   9          3HZ       LYS   9 -10.501   0.294   0.701
   67    H    VAL  10           H        VAL  10  -3.173   1.389  -0.589
   68    HA   VAL  10           HA       VAL  10  -2.495   0.114  -3.135
   69    HB   VAL  10           HB       VAL  10  -0.760   0.394  -0.663
   70   HG11  VAL  10          1HG1      VAL  10  -0.090  -0.642  -3.418
   71   HG12  VAL  10          2HG1      VAL  10  -0.236  -1.604  -1.947
   72   HG13  VAL  10          3HG1      VAL  10   1.057  -0.413  -2.095
   73   HG21  VAL  10          1HG2      VAL  10  -0.644   1.862  -3.300
   74   HG22  VAL  10          2HG2      VAL  10   0.549   1.989  -2.011
   75   HG23  VAL  10          3HG2      VAL  10  -1.103   2.547  -1.741
   76    H    CYS  11           H        CYS  11  -3.389  -1.787  -3.335
   77    HA   CYS  11           HA       CYS  11  -3.648  -3.487  -0.961
   78    HB2  CYS  11          2HB       CYS  11  -5.223  -3.484  -3.539
   79    HB3  CYS  11          1HB       CYS  11  -5.415  -4.677  -2.260
   80    H    ARG  12           H        ARG  12  -2.049  -4.854  -0.856
   81    HA   ARG  12           HA       ARG  12  -1.353  -6.422  -3.232
   82    HB2  ARG  12          2HB       ARG  12   0.687  -5.319  -1.250
   83    HB3  ARG  12          1HB       ARG  12   1.044  -6.396  -2.577
   84    HG2  ARG  12          2HG       ARG  12   0.082  -3.551  -2.822
   85    HG3  ARG  12          1HG       ARG  12   1.733  -4.113  -3.063
   86    HD2  ARG  12          2HD       ARG  12   0.958  -5.475  -4.976
   87    HD3  ARG  12          1HD       ARG  12  -0.679  -4.858  -4.731
   88    HE   ARG  12           HE       ARG  12   1.480  -2.945  -5.132
   89   HH11  ARG  12          1HH1      ARG  12  -1.278  -4.605  -6.644
   90   HH12  ARG  12          2HH1      ARG  12  -1.502  -3.384  -7.812
   91   HH21  ARG  12          1HH2      ARG  12   1.115  -1.300  -6.689
   92   HH22  ARG  12          2HH2      ARG  12  -0.116  -1.474  -7.859
   93    HA   PRO  13           HA       PRO  13  -1.959  -9.920  -0.580
   94    HB2  PRO  13          2HB       PRO  13   0.787 -10.856  -1.222
   95    HB3  PRO  13          1HB       PRO  13  -0.759 -11.701  -1.376
   96    HG2  PRO  13          2HG       PRO  13   0.492 -10.766  -3.528
   97    HG3  PRO  13          1HG       PRO  13  -1.271 -10.678  -3.383
   98    HD2  PRO  13          2HD       PRO  13   0.769  -8.534  -3.041
   99    HD3  PRO  13          1HD       PRO  13  -0.855  -8.441  -3.761
  100    H    ASP  14           H        ASP  14   1.373  -8.731  -0.373
  101    HA   ASP  14           HA       ASP  14   1.316  -9.320   2.484
  102    HB2  ASP  14          2HB       ASP  14   3.668  -8.740   0.678
  103    HB3  ASP  14          1HB       ASP  14   3.776  -8.980   2.417
  104    HA   PRO  15           HA       PRO  15   0.710  -5.015   3.391
  105    HB2  PRO  15          2HB       PRO  15   1.908  -5.088   5.892
  106    HB3  PRO  15          1HB       PRO  15   0.220  -5.484   5.577
  107    HG2  PRO  15          2HG       PRO  15   2.567  -7.291   5.930
  108    HG3  PRO  15          1HG       PRO  15   0.896  -7.509   6.473
  109    HD2  PRO  15          2HD       PRO  15   1.873  -8.808   4.363
  110    HD3  PRO  15          1HD       PRO  15   0.190  -8.238   4.394
  111    H    GLU  16           H        GLU  16   3.764  -6.585   3.960
  112    HA   GLU  16           HA       GLU  16   5.350  -4.259   4.215
  113    HB2  GLU  16          2HB       GLU  16   6.096  -7.078   3.462
  114    HB3  GLU  16          1HB       GLU  16   7.234  -5.821   3.934
  115    HG2  GLU  16          2HG       GLU  16   6.348  -5.724   6.136
  116    HG3  GLU  16          1HG       GLU  16   4.987  -6.751   5.696
  117    H    GLU  17           H        GLU  17   4.579  -6.384   1.487
  118    HA   GLU  17           HA       GLU  17   6.199  -5.052  -0.416
  119    HB2  GLU  17          2HB       GLU  17   5.244  -7.336  -0.727
  120    HB3  GLU  17          1HB       GLU  17   3.649  -6.616  -0.882
  121    HG2  GLU  17          2HG       GLU  17   4.507  -7.130  -3.067
  122    HG3  GLU  17          1HG       GLU  17   4.430  -5.379  -2.861
  123    H    ALA  18           H        ALA  18   2.867  -4.729   0.628
  124    HA   ALA  18           HA       ALA  18   2.002  -2.777  -1.171
  125    HB1  ALA  18          1HB       ALA  18   1.135  -3.136   1.704
  126    HB2  ALA  18          2HB       ALA  18   0.495  -4.042   0.337
  127    HB3  ALA  18          3HB       ALA  18   0.234  -2.303   0.435
  128    H    ARG  19           H        ARG  19   3.310  -2.419   2.108
  129    HA   ARG  19           HA       ARG  19   3.440   0.354   2.193
  130    HB2  ARG  19          2HB       ARG  19   4.967  -1.793   3.556
  131    HB3  ARG  19          1HB       ARG  19   5.412  -0.110   3.773
  132    HG2  ARG  19          2HG       ARG  19   3.224   0.383   4.662
  133    HG3  ARG  19          1HG       ARG  19   2.712  -1.286   4.364
  134    HD2  ARG  19          2HD       ARG  19   3.445  -0.801   6.715
  135    HD3  ARG  19          1HD       ARG  19   4.276  -2.135   5.905
  136    HE   ARG  19           HE       ARG  19   5.596   0.432   5.707
  137   HH11  ARG  19          1HH1      ARG  19   5.330  -2.594   7.525
  138   HH12  ARG  19          2HH1      ARG  19   6.888  -2.475   8.187
  139   HH21  ARG  19          1HH2      ARG  19   7.693   0.581   6.590
  140   HH22  ARG  19          2HH2      ARG  19   8.257  -0.612   7.681
  141    H    ARG  20           H        ARG  20   5.795  -1.975   0.991
  142    HA   ARG  20           HA       ARG  20   7.926  -0.285   0.674
  143    HB2  ARG  20          2HB       ARG  20   8.177  -2.690   0.456
  144    HB3  ARG  20          1HB       ARG  20   7.194  -2.705  -0.995
  145    HG2  ARG  20          2HG       ARG  20   8.877  -1.778  -2.297
  146    HG3  ARG  20          1HG       ARG  20   9.720  -1.109  -0.903
  147    HD2  ARG  20          2HD       ARG  20  10.941  -3.003  -1.847
  148    HD3  ARG  20          1HD       ARG  20  10.397  -3.346  -0.217
  149    HE   ARG  20           HE       ARG  20   8.504  -4.415  -2.002
  150   HH11  ARG  20          1HH1      ARG  20  11.878  -4.914  -1.072
  151   HH12  ARG  20          2HH1      ARG  20  11.893  -6.566  -1.480
  152   HH21  ARG  20          1HH2      ARG  20   8.523  -6.703  -2.553
  153   HH22  ARG  20          2HH2      ARG  20   9.953  -7.590  -2.318
  154    H    GLU  21           H        GLU  21   5.239  -0.701  -1.587
  155    HA   GLU  21           HA       GLU  21   6.427   1.408  -3.186
  156    HB2  GLU  21          2HB       GLU  21   4.565   1.131  -4.774
  157    HB3  GLU  21          1HB       GLU  21   5.419  -0.371  -4.492
  158    HG2  GLU  21          2HG       GLU  21   3.610  -1.081  -2.984
  159    HG3  GLU  21          1HG       GLU  21   2.763   0.427  -3.333
  160    H    ALA  22           H        ALA  22   3.756   0.995  -0.952
  161    HA   ALA  22           HA       ALA  22   2.390   3.383  -1.438
  162    HB1  ALA  22          1HB       ALA  22   1.511   1.522  -0.070
  163    HB2  ALA  22          2HB       ALA  22   1.361   3.096   0.709
  164    HB3  ALA  22          3HB       ALA  22   2.631   1.983   1.213
  165    H    GLU  23           H        GLU  23   4.920   2.730   0.989
  166    HA   GLU  23           HA       GLU  23   4.898   5.434   1.926
  167    HB2  GLU  23          2HB       GLU  23   6.962   3.277   2.368
  168    HB3  GLU  23          1HB       GLU  23   6.825   4.771   3.281
  169    HG2  GLU  23          2HG       GLU  23   4.600   4.057   4.062
  170    HG3  GLU  23          1HG       GLU  23   4.815   2.535   3.203
  171    H    GLU  24           H        GLU  24   6.278   3.867  -0.684
  172    HA   GLU  24           HA       GLU  24   8.517   5.616  -1.071
  173    HB2  GLU  24          2HB       GLU  24   8.503   3.341  -2.013
  174    HB3  GLU  24          1HB       GLU  24   7.077   3.721  -2.955
  175    HG2  GLU  24          2HG       GLU  24   9.135   3.669  -4.293
  176    HG3  GLU  24          1HG       GLU  24   8.340   5.239  -4.333
  177    H    ARG  25           H        ARG  25   5.149   5.688  -1.650
  178    HA   ARG  25           HA       ARG  25   5.416   8.076  -3.332
  179    HB2  ARG  25          2HB       ARG  25   2.946   6.457  -2.662
  180    HB3  ARG  25          1HB       ARG  25   2.992   7.834  -3.739
  181    HG2  ARG  25          2HG       ARG  25   4.363   5.183  -4.199
  182    HG3  ARG  25          1HG       ARG  25   2.869   5.718  -4.957
  183    HD2  ARG  25          2HD       ARG  25   4.619   6.028  -6.551
  184    HD3  ARG  25          1HD       ARG  25   4.186   7.629  -5.959
  185    HE   ARG  25           HE       ARG  25   6.248   6.914  -4.359
  186   HH11  ARG  25          1HH1      ARG  25   5.924   7.086  -7.871
  187   HH12  ARG  25          2HH1      ARG  25   7.589   7.334  -8.127
  188   HH21  ARG  25          1HH2      ARG  25   8.503   7.226  -4.724
  189   HH22  ARG  25          2HH2      ARG  25   9.096   7.357  -6.315
  190    H    CYS  26           H        CYS  26   3.876   6.865  -0.411
  191    HA   CYS  26           HA       CYS  26   3.200   9.552   0.442
  192    HB2  CYS  26          2HB       CYS  26   2.637   6.879   1.729
  193    HB3  CYS  26          1HB       CYS  26   1.898   8.422   2.140
  194    HN1  NH2  27           HN1      NH2  27   5.330  10.225   0.817
  195    HN2  NH2  27           HN2      NH2  27   6.238   9.718   2.200
  Start of MODEL    2
    1    H1   THR   1          1HT       THR   1  -4.826  -7.259   0.811
    2    H2   THR   1          2HT       THR   1  -3.993  -8.251   1.920
    3    H3   THR   1          3HT       THR   1  -3.142  -7.304   0.797
    4    HA   THR   1           HA       THR   1  -4.815  -6.262   2.964
    5    HB   THR   1           HB       THR   1  -1.803  -6.341   2.617
    6    HG1  THR   1          1HG       THR   1  -3.551  -7.715   4.404
    7   HG21  THR   1          1HG2      THR   1  -1.739  -5.381   4.887
    8   HG22  THR   1          2HG2      THR   1  -3.502  -5.283   4.890
    9   HG23  THR   1          3HG2      THR   1  -2.567  -4.306   3.761
   10    H    CYS   2           H        CYS   2  -5.632  -4.348   2.347
   11    HA   CYS   2           HA       CYS   2  -4.159  -2.756   0.399
   12    HB2  CYS   2          2HB       CYS   2  -7.024  -2.546   1.346
   13    HB3  CYS   2          1HB       CYS   2  -6.271  -1.502   0.146
   14    H    VAL   3           H        VAL   3  -2.979  -1.218   1.147
   15    HA   VAL   3           HA       VAL   3  -3.581  -0.133   3.787
   16    HB   VAL   3           HB       VAL   3  -1.280   0.739   3.818
   17   HG11  VAL   3          1HG1      VAL   3  -0.102  -1.414   4.012
   18   HG12  VAL   3          2HG1      VAL   3  -1.466  -2.207   3.223
   19   HG13  VAL   3          3HG1      VAL   3  -1.684  -1.430   4.792
   20   HG21  VAL   3          1HG2      VAL   3  -0.916   1.062   1.442
   21   HG22  VAL   3          2HG2      VAL   3  -0.996  -0.676   1.170
   22   HG23  VAL   3          3HG2      VAL   3   0.342   0.010   2.096
   23    H    GLU   4           H        GLU   4  -3.393   2.147   4.091
   24    HA   GLU   4           HA       GLU   4  -3.939   3.686   1.663
   25    HB2  GLU   4          2HB       GLU   4  -6.027   3.037   2.826
   26    HB3  GLU   4          1HB       GLU   4  -5.438   3.840   4.273
   27    HG2  GLU   4          2HG       GLU   4  -5.310   5.942   2.931
   28    HG3  GLU   4          1HG       GLU   4  -6.150   5.086   1.641
   29    H    CYS   5           H        CYS   5  -2.986   5.646   1.662
   30    HA   CYS   5           HA       CYS   5  -2.431   7.048   4.114
   31    HB2  CYS   5          2HB       CYS   5  -0.319   5.812   3.921
   32    HB3  CYS   5          1HB       CYS   5  -0.126   6.374   2.260
   33    H    DAL   6           H        DAL   6  -3.430   8.880   3.657
   34    HA   DAL   6           HA       DAL   6  -2.319  10.739   1.959
   35    HB1  DAL   6          1HB       DAL   6  -4.182  12.188   2.392
   36    HB2  DAL   6          2HB       DAL   6  -3.715  11.343   3.863
   37    HB3  DAL   6          3HB       DAL   6  -5.149  10.833   2.973
   38    HA   DPR   7           HA       DPR   7  -5.285   9.985  -1.603
   39    HB2  DPR   7          1HB       DPR   7  -7.271   8.267  -1.575
   40    HB3  DPR   7          2HB       DPR   7  -7.395   9.759  -0.628
   41    HG2  DPR   7          1HG       DPR   7  -6.663   6.988   0.274
   42    HG3  DPR   7          2HG       DPR   7  -7.818   8.114   1.002
   43    HD2  DPR   7          1HD       DPR   7  -5.200   7.804   1.841
   44    HD3  DPR   7          2HD       DPR   7  -6.159   9.276   2.085
   45    H    VAL   8           H        VAL   8  -3.209   7.939  -0.420
   46    HA   VAL   8           HA       VAL   8  -3.019   6.414  -2.856
   47    HB   VAL   8           HB       VAL   8  -1.237   6.384  -0.399
   48   HG11  VAL   8          1HG1      VAL   8  -0.704   5.337  -3.176
   49   HG12  VAL   8          2HG1      VAL   8  -0.993   4.360  -1.737
   50   HG13  VAL   8          3HG1      VAL   8   0.451   5.368  -1.841
   51   HG21  VAL   8          1HG2      VAL   8   0.259   7.818  -1.706
   52   HG22  VAL   8          2HG2      VAL   8  -1.308   8.579  -1.427
   53   HG23  VAL   8          3HG2      VAL   8  -0.938   7.874  -3.001
   54    H    LYS   9           H        LYS   9  -3.967   4.545  -3.124
   55    HA   LYS   9           HA       LYS   9  -4.537   2.771  -0.837
   56    HB2  LYS   9          2HB       LYS   9  -5.806   2.959  -3.578
   57    HB3  LYS   9          1HB       LYS   9  -6.186   1.736  -2.388
   58    HG2  LYS   9          2HG       LYS   9  -6.545   4.651  -1.858
   59    HG3  LYS   9          1HG       LYS   9  -7.799   3.679  -2.639
   60    HD2  LYS   9          2HD       LYS   9  -7.628   2.151  -0.606
   61    HD3  LYS   9          1HD       LYS   9  -6.677   3.432   0.150
   62    HE2  LYS   9          2HE       LYS   9  -8.497   4.997  -0.072
   63    HE3  LYS   9          1HE       LYS   9  -9.444   3.838  -0.997
   64    HZ1  LYS   9          1HZ       LYS   9  -9.425   2.416   1.080
   65    HZ2  LYS   9          2HZ       LYS   9 -10.280   3.848   1.175
   66    HZ3  LYS   9          3HZ       LYS   9  -8.778   3.762   1.900
   67    H    VAL  10           H        VAL  10  -3.262   1.039  -0.797
   68    HA   VAL  10           HA       VAL  10  -2.206  -0.046  -3.340
   69    HB   VAL  10           HB       VAL  10  -0.636   0.253  -0.754
   70   HG11  VAL  10          1HG1      VAL  10  -0.205  -1.895  -1.910
   71   HG12  VAL  10          2HG1      VAL  10   1.193  -0.839  -1.831
   72   HG13  VAL  10          3HG1      VAL  10   0.294  -0.989  -3.346
   73   HG21  VAL  10          1HG2      VAL  10  -0.176   1.442  -3.489
   74   HG22  VAL  10          2HG2      VAL  10   0.881   1.637  -2.089
   75   HG23  VAL  10          3HG2      VAL  10  -0.753   2.305  -2.065
   76    H    CYS  11           H        CYS  11  -2.850  -2.108  -3.610
   77    HA   CYS  11           HA       CYS  11  -3.460  -3.666  -1.206
   78    HB2  CYS  11          2HB       CYS  11  -4.583  -3.931  -4.001
   79    HB3  CYS  11          1HB       CYS  11  -4.979  -4.973  -2.640
   80    H    ARG  12           H        ARG  12  -2.010  -5.112  -0.745
   81    HA   ARG  12           HA       ARG  12  -0.846  -6.728  -2.865
   82    HB2  ARG  12          2HB       ARG  12   0.728  -5.255  -0.750
   83    HB3  ARG  12          1HB       ARG  12   1.362  -6.656  -1.590
   84    HG2  ARG  12          2HG       ARG  12   0.467  -4.125  -2.944
   85    HG3  ARG  12          1HG       ARG  12   2.135  -4.485  -2.492
   86    HD2  ARG  12          2HD       ARG  12   2.046  -6.503  -3.900
   87    HD3  ARG  12          1HD       ARG  12   0.412  -6.064  -4.408
   88    HE   ARG  12           HE       ARG  12   1.885  -3.864  -4.908
   89   HH11  ARG  12          1HH1      ARG  12   2.252  -7.243  -5.886
   90   HH12  ARG  12          2HH1      ARG  12   2.935  -6.900  -7.398
   91   HH21  ARG  12          1HH2      ARG  12   2.891  -3.358  -6.912
   92   HH22  ARG  12          2HH2      ARG  12   3.312  -4.584  -8.020
   93    HA   PRO  13           HA       PRO  13  -1.812 -10.105  -0.137
   94    HB2  PRO  13          2HB       PRO  13   0.825 -11.243  -0.927
   95    HB3  PRO  13          1HB       PRO  13  -0.784 -11.954  -1.055
   96    HG2  PRO  13          2HG       PRO  13   0.462 -11.063  -3.220
   97    HG3  PRO  13          1HG       PRO  13  -1.283 -10.836  -3.009
   98    HD2  PRO  13          2HD       PRO  13   0.933  -8.864  -2.673
   99    HD3  PRO  13          1HD       PRO  13  -0.688  -8.653  -3.369
  100    H    ASP  14           H        ASP  14   1.587  -9.111  -0.102
  101    HA   ASP  14           HA       ASP  14   1.728  -9.584   2.774
  102    HB2  ASP  14          2HB       ASP  14   3.831  -8.859   0.736
  103    HB3  ASP  14          1HB       ASP  14   4.134  -8.750   2.455
  104    HA   PRO  15           HA       PRO  15   1.090  -5.259   3.664
  105    HB2  PRO  15          2HB       PRO  15   2.252  -5.195   6.130
  106    HB3  PRO  15          1HB       PRO  15   0.650  -5.889   5.860
  107    HG2  PRO  15          2HG       PRO  15   3.296  -7.278   6.056
  108    HG3  PRO  15          1HG       PRO  15   1.757  -7.700   6.827
  109    HD2  PRO  15          2HD       PRO  15   2.591  -8.965   4.626
  110    HD3  PRO  15          1HD       PRO  15   0.875  -8.581   4.873
  111    H    GLU  16           H        GLU  16   4.060  -6.966   3.695
  112    HA   GLU  16           HA       GLU  16   5.990  -4.966   3.948
  113    HB2  GLU  16          2HB       GLU  16   6.440  -7.368   3.948
  114    HB3  GLU  16          1HB       GLU  16   5.974  -7.472   2.258
  115    HG2  GLU  16          2HG       GLU  16   8.310  -7.530   2.349
  116    HG3  GLU  16          1HG       GLU  16   7.863  -5.928   1.757
  117    H    GLU  17           H        GLU  17   4.657  -6.431   0.993
  118    HA   GLU  17           HA       GLU  17   5.855  -4.552  -0.729
  119    HB2  GLU  17          2HB       GLU  17   3.674  -6.571  -1.169
  120    HB3  GLU  17          1HB       GLU  17   4.300  -5.553  -2.457
  121    HG2  GLU  17          2HG       GLU  17   6.536  -6.477  -2.098
  122    HG3  GLU  17          1HG       GLU  17   5.898  -7.487  -0.803
  123    H    ALA  18           H        ALA  18   2.732  -4.742   0.785
  124    HA   ALA  18           HA       ALA  18   1.427  -2.716  -0.630
  125    HB1  ALA  18          1HB       ALA  18   0.271  -4.243   0.935
  126    HB2  ALA  18          2HB       ALA  18  -0.049  -2.556   1.320
  127    HB3  ALA  18          3HB       ALA  18   1.110  -3.471   2.280
  128    H    ARG  19           H        ARG  19   3.286  -2.599   2.389
  129    HA   ARG  19           HA       ARG  19   3.163   0.142   2.814
  130    HB2  ARG  19          2HB       ARG  19   3.927  -1.338   4.561
  131    HB3  ARG  19          1HB       ARG  19   5.300  -1.838   3.581
  132    HG2  ARG  19          2HG       ARG  19   6.143   0.479   3.640
  133    HG3  ARG  19          1HG       ARG  19   4.819   0.902   4.720
  134    HD2  ARG  19          2HD       ARG  19   5.646  -0.589   6.397
  135    HD3  ARG  19          1HD       ARG  19   6.875  -1.214   5.292
  136    HE   ARG  19           HE       ARG  19   7.560   1.248   5.233
  137   HH11  ARG  19          1HH1      ARG  19   6.506  -0.567   8.112
  138   HH12  ARG  19          2HH1      ARG  19   7.476   0.279   9.207
  139   HH21  ARG  19          1HH2      ARG  19   8.861   2.514   6.799
  140   HH22  ARG  19          2HH2      ARG  19   8.815   2.115   8.444
  141    H    ARG  20           H        ARG  20   5.520  -1.797   1.017
  142    HA   ARG  20           HA       ARG  20   7.314   0.346   0.681
  143    HB2  ARG  20          2HB       ARG  20   7.140  -2.104  -1.071
  144    HB3  ARG  20          1HB       ARG  20   8.513  -1.015  -0.938
  145    HG2  ARG  20          2HG       ARG  20   7.440  -2.887   1.162
  146    HG3  ARG  20          1HG       ARG  20   9.001  -2.958   0.350
  147    HD2  ARG  20          2HD       ARG  20   9.737  -0.957   1.482
  148    HD3  ARG  20          1HD       ARG  20   8.130  -0.700   2.160
  149    HE   ARG  20           HE       ARG  20   9.041  -3.227   2.950
  150   HH11  ARG  20          1HH1      ARG  20   9.423   0.205   3.767
  151   HH12  ARG  20          2HH1      ARG  20  10.255  -0.126   5.211
  152   HH21  ARG  20          1HH2      ARG  20  10.014  -3.639   4.898
  153   HH22  ARG  20          2HH2      ARG  20  10.602  -2.401   5.922
  154    H    GLU  21           H        GLU  21   4.689  -0.750  -1.402
  155    HA   GLU  21           HA       GLU  21   5.348   1.190  -3.398
  156    HB2  GLU  21          2HB       GLU  21   2.714  -0.184  -2.920
  157    HB3  GLU  21          1HB       GLU  21   3.146   0.734  -4.348
  158    HG2  GLU  21          2HG       GLU  21   4.967  -0.923  -4.750
  159    HG3  GLU  21          1HG       GLU  21   4.289  -1.881  -3.431
  160    H    ALA  22           H        ALA  22   3.253   1.092  -0.592
  161    HA   ALA  22           HA       ALA  22   1.904   3.502  -1.082
  162    HB1  ALA  22          1HB       ALA  22   2.499   2.224   1.582
  163    HB2  ALA  22          2HB       ALA  22   1.126   1.839   0.546
  164    HB3  ALA  22          3HB       ALA  22   1.268   3.446   1.262
  165    H    GLU  23           H        GLU  23   4.824   2.821   0.836
  166    HA   GLU  23           HA       GLU  23   5.073   5.526   1.654
  167    HB2  GLU  23          2HB       GLU  23   7.197   4.912   2.681
  168    HB3  GLU  23          1HB       GLU  23   5.951   3.744   3.064
  169    HG2  GLU  23          2HG       GLU  23   6.876   2.179   1.495
  170    HG3  GLU  23          1HG       GLU  23   8.071   3.364   0.961
  171    H    GLU  24           H        GLU  24   5.825   4.085  -1.247
  172    HA   GLU  24           HA       GLU  24   8.024   5.724  -1.997
  173    HB2  GLU  24          2HB       GLU  24   7.460   3.655  -3.202
  174    HB3  GLU  24          1HB       GLU  24   5.931   4.358  -3.701
  175    HG2  GLU  24          2HG       GLU  24   7.139   6.064  -4.974
  176    HG3  GLU  24          1HG       GLU  24   8.665   5.327  -4.494
  177    H    ARG  25           H        ARG  25   4.542   5.999  -2.193
  178    HA   ARG  25           HA       ARG  25   4.751   8.668  -3.362
  179    HB2  ARG  25          2HB       ARG  25   3.112   7.066  -4.306
  180    HB3  ARG  25          1HB       ARG  25   2.301   6.997  -2.755
  181    HG2  ARG  25          2HG       ARG  25   1.066   8.403  -4.285
  182    HG3  ARG  25          1HG       ARG  25   1.710   9.371  -2.965
  183    HD2  ARG  25          2HD       ARG  25   3.482  10.207  -4.378
  184    HD3  ARG  25          1HD       ARG  25   2.990   9.138  -5.692
  185    HE   ARG  25           HE       ARG  25   0.796  10.437  -5.492
  186   HH11  ARG  25          1HH1      ARG  25   4.044  11.858  -5.189
  187   HH12  ARG  25          2HH1      ARG  25   3.554  13.421  -5.642
  188   HH21  ARG  25          1HH2      ARG  25   0.163  12.606  -6.175
  189   HH22  ARG  25          2HH2      ARG  25   1.297  13.863  -6.229
  190    H    CYS  26           H        CYS  26   3.728   6.997  -0.483
  191    HA   CYS  26           HA       CYS  26   3.083   9.459   0.924
  192    HB2  CYS  26          2HB       CYS  26   1.486   7.722   1.270
  193    HB3  CYS  26          1HB       CYS  26   2.739   6.520   1.532
  194    HN1  NH2  27           HN1      NH2  27   5.136  10.348   1.154
  195    HN2  NH2  27           HN2      NH2  27   6.344   9.649   2.168
  Start of MODEL    3
    1    H1   THR   1          1HT       THR   1  -4.165  -7.411   0.100
    2    H2   THR   1          2HT       THR   1  -4.338  -8.407   1.455
    3    H3   THR   1          3HT       THR   1  -3.069  -7.283   1.365
    4    HA   THR   1           HA       THR   1  -5.907  -6.576   1.438
    5    HB   THR   1           HB       THR   1  -3.821  -6.240   3.627
    6    HG1  THR   1          1HG       THR   1  -3.974  -8.299   3.848
    7   HG21  THR   1          1HG2      THR   1  -5.805  -6.046   5.073
    8   HG22  THR   1          2HG2      THR   1  -6.855  -6.268   3.677
    9   HG23  THR   1          3HG2      THR   1  -5.837  -4.831   3.802
   10    H    CYS   2           H        CYS   2  -5.843  -4.014   2.171
   11    HA   CYS   2           HA       CYS   2  -3.755  -2.808   0.509
   12    HB2  CYS   2          2HB       CYS   2  -6.499  -1.671   1.051
   13    HB3  CYS   2          1HB       CYS   2  -5.344  -1.185  -0.180
   14    H    VAL   3           H        VAL   3  -2.882  -0.869   1.227
   15    HA   VAL   3           HA       VAL   3  -3.458  -0.206   4.027
   16    HB   VAL   3           HB       VAL   3  -1.185   0.816   4.156
   17   HG11  VAL   3          1HG1      VAL   3  -1.172  -2.080   3.341
   18   HG12  VAL   3          2HG1      VAL   3  -1.491  -1.450   4.957
   19   HG13  VAL   3          3HG1      VAL   3   0.108  -1.263   4.235
   20   HG21  VAL   3          1HG2      VAL   3  -0.826   1.313   1.798
   21   HG22  VAL   3          2HG2      VAL   3  -0.784  -0.408   1.425
   22   HG23  VAL   3          3HG2      VAL   3   0.488   0.308   2.413
   23    H    GLU   4           H        GLU   4  -3.743   1.942   4.574
   24    HA   GLU   4           HA       GLU   4  -4.666   3.594   2.352
   25    HB2  GLU   4          2HB       GLU   4  -4.850   4.270   5.277
   26    HB3  GLU   4          1HB       GLU   4  -5.879   4.810   3.969
   27    HG2  GLU   4          2HG       GLU   4  -5.826   2.036   5.143
   28    HG3  GLU   4          1HG       GLU   4  -7.020   3.273   5.492
   29    H    CYS   5           H        CYS   5  -3.055   4.903   1.542
   30    HA   CYS   5           HA       CYS   5  -1.437   6.317   3.524
   31    HB2  CYS   5          2HB       CYS   5  -0.094   4.516   2.457
   32    HB3  CYS   5          1HB       CYS   5  -0.396   5.259   0.889
   33    H    DAL   6           H        DAL   6  -2.281   8.256   3.435
   34    HA   DAL   6           HA       DAL   6  -1.724  10.037   1.403
   35    HB1  DAL   6          1HB       DAL   6  -3.877  10.388   3.478
   36    HB2  DAL   6          2HB       DAL   6  -3.060  11.663   2.574
   37    HB3  DAL   6          3HB       DAL   6  -2.159  10.682   3.730
   38    HA   DPR   7           HA       DPR   7  -6.113   9.745  -0.455
   39    HB2  DPR   7          1HB       DPR   7  -7.806   7.785   0.231
   40    HB3  DPR   7          2HB       DPR   7  -7.704   9.283   1.156
   41    HG2  DPR   7          1HG       DPR   7  -6.507   6.597   1.725
   42    HG3  DPR   7          2HG       DPR   7  -7.291   7.731   2.840
   43    HD2  DPR   7          1HD       DPR   7  -4.582   7.479   2.595
   44    HD3  DPR   7          2HD       DPR   7  -5.399   8.961   3.123
   45    H    VAL   8           H        VAL   8  -3.772   7.496  -0.336
   46    HA   VAL   8           HA       VAL   8  -4.753   6.146  -2.729
   47    HB   VAL   8           HB       VAL   8  -1.930   6.315  -1.616
   48   HG11  VAL   8          1HG1      VAL   8  -1.217   5.424  -3.783
   49   HG12  VAL   8          2HG1      VAL   8  -2.903   5.263  -4.270
   50   HG13  VAL   8          3HG1      VAL   8  -2.279   4.298  -2.936
   51   HG21  VAL   8          1HG2      VAL   8  -2.692   8.489  -2.382
   52   HG22  VAL   8          2HG2      VAL   8  -3.172   7.799  -3.932
   53   HG23  VAL   8          3HG2      VAL   8  -1.468   7.849  -3.477
   54    H    LYS   9           H        LYS   9  -5.445   4.149  -2.482
   55    HA   LYS   9           HA       LYS   9  -4.652   2.688  -0.089
   56    HB2  LYS   9          2HB       LYS   9  -6.957   2.242  -1.992
   57    HB3  LYS   9          1HB       LYS   9  -6.616   1.246  -0.580
   58    HG2  LYS   9          2HG       LYS   9  -6.958   3.164   0.884
   59    HG3  LYS   9          1HG       LYS   9  -7.253   4.192  -0.513
   60    HD2  LYS   9          2HD       LYS   9  -8.925   1.809   0.284
   61    HD3  LYS   9          1HD       LYS   9  -9.330   3.489   0.630
   62    HE2  LYS   9          2HE       LYS   9  -9.333   3.930  -1.810
   63    HE3  LYS   9          1HE       LYS   9  -9.054   2.213  -2.087
   64    HZ1  LYS   9          1HZ       LYS   9 -11.418   3.402  -0.747
   65    HZ2  LYS   9          2HZ       LYS   9 -11.143   1.752  -0.930
   66    HZ3  LYS   9          3HZ       LYS   9 -11.364   2.730  -2.294
   67    H    VAL  10           H        VAL  10  -2.945   1.575  -0.438
   68    HA   VAL  10           HA       VAL  10  -2.395   0.475  -3.088
   69    HB   VAL  10           HB       VAL  10  -0.594   0.672  -0.652
   70   HG11  VAL  10          1HG1      VAL  10   1.232   0.046  -2.149
   71   HG12  VAL  10          2HG1      VAL  10   0.089  -0.158  -3.474
   72   HG13  VAL  10          3HG1      VAL  10   0.019  -1.235  -2.076
   73   HG21  VAL  10          1HG2      VAL  10  -1.091   2.843  -1.606
   74   HG22  VAL  10          2HG2      VAL  10  -0.654   2.260  -3.212
   75   HG23  VAL  10          3HG2      VAL  10   0.578   2.392  -1.960
   76    H    CYS  11           H        CYS  11  -3.121  -1.449  -3.468
   77    HA   CYS  11           HA       CYS  11  -3.495  -3.352  -1.301
   78    HB2  CYS  11          2HB       CYS  11  -4.411  -3.419  -4.173
   79    HB3  CYS  11          1HB       CYS  11  -4.869  -4.543  -2.897
   80    H    ARG  12           H        ARG  12  -2.389  -5.225  -1.183
   81    HA   ARG  12           HA       ARG  12  -0.733  -6.222  -3.304
   82    HB2  ARG  12          2HB       ARG  12   0.493  -4.210  -2.311
   83    HB3  ARG  12          1HB       ARG  12   0.534  -5.108  -0.812
   84    HG2  ARG  12          2HG       ARG  12   2.633  -5.290  -1.818
   85    HG3  ARG  12          1HG       ARG  12   1.852  -6.865  -1.988
   86    HD2  ARG  12          2HD       ARG  12   1.374  -6.420  -4.301
   87    HD3  ARG  12          1HD       ARG  12   1.897  -4.741  -4.128
   88    HE   ARG  12           HE       ARG  12   3.807  -6.894  -3.612
   89   HH11  ARG  12          1HH1      ARG  12   2.806  -4.180  -5.703
   90   HH12  ARG  12          2HH1      ARG  12   4.306  -4.049  -6.479
   91   HH21  ARG  12          1HH2      ARG  12   5.874  -6.681  -4.649
   92   HH22  ARG  12          2HH2      ARG  12   6.123  -5.497  -5.845
   93    HA   PRO  13           HA       PRO  13  -1.829  -9.778  -0.682
   94    HB2  PRO  13          2HB       PRO  13   0.672 -10.943  -1.811
   95    HB3  PRO  13          1HB       PRO  13  -0.957 -11.625  -1.763
   96    HG2  PRO  13          2HG       PRO  13   0.014 -10.662  -4.035
   97    HG3  PRO  13          1HG       PRO  13  -1.678 -10.385  -3.588
   98    HD2  PRO  13          2HD       PRO  13   0.640  -8.499  -3.476
   99    HD3  PRO  13          1HD       PRO  13  -1.052  -8.195  -3.918
  100    H    ASP  14           H        ASP  14   1.477  -8.610  -0.815
  101    HA   ASP  14           HA       ASP  14   1.959  -9.481   1.933
  102    HB2  ASP  14          2HB       ASP  14   3.771  -8.366  -0.193
  103    HB3  ASP  14          1HB       ASP  14   4.265  -8.384   1.489
  104    HA   PRO  15           HA       PRO  15   0.717  -5.310   3.196
  105    HB2  PRO  15          2HB       PRO  15   1.392  -5.650   5.838
  106    HB3  PRO  15          1HB       PRO  15  -0.146  -6.171   5.145
  107    HG2  PRO  15          2HG       PRO  15   2.325  -7.776   5.674
  108    HG3  PRO  15          1HG       PRO  15   0.633  -8.199   5.983
  109    HD2  PRO  15          2HD       PRO  15   1.930  -9.168   3.877
  110    HD3  PRO  15          1HD       PRO  15   0.225  -8.695   3.747
  111    H    GLU  16           H        GLU  16   3.689  -6.934   3.837
  112    HA   GLU  16           HA       GLU  16   5.284  -4.763   4.664
  113    HB2  GLU  16          2HB       GLU  16   6.046  -7.275   3.169
  114    HB3  GLU  16          1HB       GLU  16   7.186  -6.177   3.932
  115    HG2  GLU  16          2HG       GLU  16   6.240  -6.665   6.110
  116    HG3  GLU  16          1HG       GLU  16   5.032  -7.708   5.369
  117    H    GLU  17           H        GLU  17   4.875  -6.258   1.446
  118    HA   GLU  17           HA       GLU  17   6.325  -4.270   0.064
  119    HB2  GLU  17          2HB       GLU  17   4.186  -6.119  -0.948
  120    HB3  GLU  17          1HB       GLU  17   5.186  -5.109  -1.975
  121    HG2  GLU  17          2HG       GLU  17   7.148  -6.395  -1.054
  122    HG3  GLU  17          1HG       GLU  17   5.963  -7.499  -0.340
  123    H    ALA  18           H        ALA  18   2.926  -4.637   0.908
  124    HA   ALA  18           HA       ALA  18   1.787  -2.606  -0.606
  125    HB1  ALA  18          1HB       ALA  18   0.016  -2.512   1.047
  126    HB2  ALA  18          2HB       ALA  18   1.059  -3.262   2.244
  127    HB3  ALA  18          3HB       ALA  18   0.504  -4.201   0.868
  128    H    ARG  19           H        ARG  19   3.214  -2.440   2.613
  129    HA   ARG  19           HA       ARG  19   2.912   0.315   2.967
  130    HB2  ARG  19          2HB       ARG  19   3.368  -1.273   4.788
  131    HB3  ARG  19          1HB       ARG  19   4.989  -1.513   4.142
  132    HG2  ARG  19          2HG       ARG  19   5.528   0.800   4.533
  133    HG3  ARG  19          1HG       ARG  19   3.898   1.104   5.120
  134    HD2  ARG  19          2HD       ARG  19   4.278  -0.442   6.968
  135    HD3  ARG  19          1HD       ARG  19   5.904  -0.767   6.361
  136    HE   ARG  19           HE       ARG  19   5.810   1.930   6.607
  137   HH11  ARG  19          1HH1      ARG  19   5.146  -0.697   8.865
  138   HH12  ARG  19          2HH1      ARG  19   5.758   0.122  10.227
  139   HH21  ARG  19          1HH2      ARG  19   6.616   3.054   8.409
  140   HH22  ARG  19          2HH2      ARG  19   6.636   2.357   9.958
  141    H    ARG  20           H        ARG  20   5.672  -1.606   1.800
  142    HA   ARG  20           HA       ARG  20   7.417   0.538   1.476
  143    HB2  ARG  20          2HB       ARG  20   7.329  -2.143   0.133
  144    HB3  ARG  20          1HB       ARG  20   8.578  -0.968  -0.239
  145    HG2  ARG  20          2HG       ARG  20   8.035  -1.967   2.549
  146    HG3  ARG  20          1HG       ARG  20   9.193  -2.723   1.458
  147    HD2  ARG  20          2HD       ARG  20  10.378  -1.223   2.943
  148    HD3  ARG  20          1HD       ARG  20  10.409  -0.575   1.309
  149    HE   ARG  20           HE       ARG  20   8.490   0.422   3.310
  150   HH11  ARG  20          1HH1      ARG  20  11.203   1.071   1.099
  151   HH12  ARG  20          2HH1      ARG  20  11.061   2.758   1.196
  152   HH21  ARG  20          1HH2      ARG  20   8.363   2.751   3.488
  153   HH22  ARG  20          2HH2      ARG  20   9.411   3.754   2.592
  154    H    GLU  21           H        GLU  21   5.168  -0.852  -0.867
  155    HA   GLU  21           HA       GLU  21   5.830   0.864  -2.982
  156    HB2  GLU  21          2HB       GLU  21   3.309  -0.624  -2.292
  157    HB3  GLU  21          1HB       GLU  21   3.444   0.360  -3.743
  158    HG2  GLU  21          2HG       GLU  21   5.237  -1.962  -3.067
  159    HG3  GLU  21          1HG       GLU  21   3.835  -2.047  -4.135
  160    H    ALA  22           H        ALA  22   3.366   1.110  -0.463
  161    HA   ALA  22           HA       ALA  22   2.164   3.478  -1.298
  162    HB1  ALA  22          1HB       ALA  22   2.450   2.465   1.520
  163    HB2  ALA  22          2HB       ALA  22   1.209   1.962   0.374
  164    HB3  ALA  22          3HB       ALA  22   1.264   3.632   0.939
  165    H    GLU  23           H        GLU  23   4.678   3.065   1.181
  166    HA   GLU  23           HA       GLU  23   4.821   5.787   1.818
  167    HB2  GLU  23          2HB       GLU  23   6.912   3.657   2.217
  168    HB3  GLU  23          1HB       GLU  23   6.917   5.247   2.967
  169    HG2  GLU  23          2HG       GLU  23   4.833   4.723   4.113
  170    HG3  GLU  23          1HG       GLU  23   4.814   3.133   3.355
  171    H    GLU  24           H        GLU  24   6.666   3.928  -0.564
  172    HA   GLU  24           HA       GLU  24   8.484   6.022  -1.161
  173    HB2  GLU  24          2HB       GLU  24   7.580   3.670  -2.809
  174    HB3  GLU  24          1HB       GLU  24   8.834   4.786  -3.325
  175    HG2  GLU  24          2HG       GLU  24   8.925   3.087  -0.842
  176    HG3  GLU  24          1HG       GLU  24   9.728   2.727  -2.369
  177    H    ARG  25           H        ARG  25   5.324   5.179  -2.401
  178    HA   ARG  25           HA       ARG  25   5.351   7.111  -4.516
  179    HB2  ARG  25          2HB       ARG  25   2.989   5.778  -3.182
  180    HB3  ARG  25          1HB       ARG  25   2.927   6.690  -4.680
  181    HG2  ARG  25          2HG       ARG  25   4.347   5.039  -5.760
  182    HG3  ARG  25          1HG       ARG  25   4.471   4.148  -4.244
  183    HD2  ARG  25          2HD       ARG  25   1.949   3.976  -4.289
  184    HD3  ARG  25          1HD       ARG  25   2.032   4.575  -5.946
  185    HE   ARG  25           HE       ARG  25   3.804   2.481  -5.739
  186   HH11  ARG  25          1HH1      ARG  25   0.286   2.988  -5.726
  187   HH12  ARG  25          2HH1      ARG  25  -0.078   1.362  -6.044
  188   HH21  ARG  25          1HH2      ARG  25   3.262   0.185  -6.198
  189   HH22  ARG  25          2HH2      ARG  25   1.618  -0.232  -6.347
  190    H    CYS  26           H        CYS  26   3.919   6.969  -1.301
  191    HA   CYS  26           HA       CYS  26   2.728   9.490  -1.293
  192    HB2  CYS  26          2HB       CYS  26   3.729   7.777   0.982
  193    HB3  CYS  26          1HB       CYS  26   2.751   9.220   1.204
  194    HN1  NH2  27           HN1      NH2  27   5.622   8.671   0.636
  195    HN2  NH2  27           HN2      NH2  27   6.372  10.208   0.412
  Start of MODEL    4
    1    H1   THR   1          1HT       THR   1  -2.182  -5.811   3.526
    2    H2   THR   1          2HT       THR   1  -2.973  -7.324   3.568
    3    H3   THR   1          3HT       THR   1  -3.828  -5.914   3.858
    4    HA   THR   1           HA       THR   1  -2.512  -6.681   1.358
    5    HB   THR   1           HB       THR   1  -5.456  -6.590   2.027
    6    HG1  THR   1          1HG       THR   1  -4.716  -9.041   1.519
    7   HG21  THR   1          1HG2      THR   1  -4.931  -6.239  -0.356
    8   HG22  THR   1          2HG2      THR   1  -5.691  -7.812  -0.107
    9   HG23  THR   1          3HG2      THR   1  -3.950  -7.703  -0.358
   10    H    CYS   2           H        CYS   2  -4.876  -4.358   2.873
   11    HA   CYS   2           HA       CYS   2  -4.145  -2.561   0.697
   12    HB2  CYS   2          2HB       CYS   2  -6.660  -2.606   2.352
   13    HB3  CYS   2          1HB       CYS   2  -6.277  -1.402   1.126
   14    H    VAL   3           H        VAL   3  -2.748  -1.187   1.206
   15    HA   VAL   3           HA       VAL   3  -2.827   0.015   3.862
   16    HB   VAL   3           HB       VAL   3  -0.460   0.729   3.421
   17   HG11  VAL   3          1HG1      VAL   3   0.568  -1.485   3.675
   18   HG12  VAL   3          2HG1      VAL   3  -0.943  -2.237   3.169
   19   HG13  VAL   3          3HG1      VAL   3  -0.876  -1.319   4.675
   20   HG21  VAL   3          1HG2      VAL   3  -0.752  -0.987   0.963
   21   HG22  VAL   3          2HG2      VAL   3   0.758  -0.286   1.559
   22   HG23  VAL   3          3HG2      VAL   3  -0.557   0.765   1.019
   23    H    GLU   4           H        GLU   4  -2.242   2.394   3.819
   24    HA   GLU   4           HA       GLU   4  -3.595   3.581   1.500
   25    HB2  GLU   4          2HB       GLU   4  -3.812   4.390   4.389
   26    HB3  GLU   4          1HB       GLU   4  -4.589   5.193   3.034
   27    HG2  GLU   4          2HG       GLU   4  -5.910   3.221   2.586
   28    HG3  GLU   4          1HG       GLU   4  -5.080   2.350   3.873
   29    H    CYS   5           H        CYS   5  -2.843   5.472   0.754
   30    HA   CYS   5           HA       CYS   5  -0.862   6.905   2.300
   31    HB2  CYS   5          2HB       CYS   5   0.461   5.506   0.734
   32    HB3  CYS   5          1HB       CYS   5  -0.428   6.204  -0.620
   33    H    DAL   6           H        DAL   6  -2.090   8.594   2.657
   34    HA   DAL   6           HA       DAL   6  -2.404  10.593   0.809
   35    HB1  DAL   6          1HB       DAL   6  -3.730  11.790   2.432
   36    HB2  DAL   6          2HB       DAL   6  -2.403  10.957   3.238
   37    HB3  DAL   6          3HB       DAL   6  -4.035  10.304   3.330
   38    HA   DPR   7           HA       DPR   7  -6.889   9.490  -0.218
   39    HB2  DPR   7          1HB       DPR   7  -8.199   7.437   0.819
   40    HB3  DPR   7          2HB       DPR   7  -7.932   8.899   1.776
   41    HG2  DPR   7          1HG       DPR   7  -6.485   6.275   1.853
   42    HG3  DPR   7          2HG       DPR   7  -7.015   7.293   3.203
   43    HD2  DPR   7          1HD       DPR   7  -4.445   7.255   2.154
   44    HD3  DPR   7          2HD       DPR   7  -5.139   8.580   3.105
   45    H    VAL   8           H        VAL   8  -4.315   7.709  -0.808
   46    HA   VAL   8           HA       VAL   8  -5.615   6.217  -2.921
   47    HB   VAL   8           HB       VAL   8  -2.656   6.400  -2.240
   48   HG11  VAL   8          1HG1      VAL   8  -2.299   5.563  -4.534
   49   HG12  VAL   8          2HG1      VAL   8  -4.042   5.388  -4.720
   50   HG13  VAL   8          3HG1      VAL   8  -3.182   4.407  -3.536
   51   HG21  VAL   8          1HG2      VAL   8  -4.253   7.902  -4.314
   52   HG22  VAL   8          2HG2      VAL   8  -2.502   7.977  -4.113
   53   HG23  VAL   8          3HG2      VAL   8  -3.564   8.581  -2.840
   54    H    LYS   9           H        LYS   9  -5.967   4.090  -2.899
   55    HA   LYS   9           HA       LYS   9  -5.307   2.624  -0.461
   56    HB2  LYS   9          2HB       LYS   9  -7.233   1.970  -2.690
   57    HB3  LYS   9          1HB       LYS   9  -7.059   1.103  -1.176
   58    HG2  LYS   9          2HG       LYS   9  -7.829   3.971  -1.319
   59    HG3  LYS   9          1HG       LYS   9  -9.034   2.670  -1.370
   60    HD2  LYS   9          2HD       LYS   9  -8.132   1.902   0.833
   61    HD3  LYS   9          1HD       LYS   9  -7.090   3.329   0.848
   62    HE2  LYS   9          2HE       LYS   9  -8.963   4.800   0.902
   63    HE3  LYS   9          1HE       LYS   9 -10.094   3.486   0.603
   64    HZ1  LYS   9          1HZ       LYS   9  -8.482   3.923   3.076
   65    HZ2  LYS   9          2HZ       LYS   9  -9.411   2.562   2.784
   66    HZ3  LYS   9          3HZ       LYS   9 -10.152   4.056   2.916
   67    H    VAL  10           H        VAL  10  -3.529   1.520  -0.681
   68    HA   VAL  10           HA       VAL  10  -2.845   0.414  -3.307
   69    HB   VAL  10           HB       VAL  10  -1.042   0.685  -0.882
   70   HG11  VAL  10          1HG1      VAL  10   0.794   0.191  -2.438
   71   HG12  VAL  10          2HG1      VAL  10  -0.382  -0.061  -3.729
   72   HG13  VAL  10          3HG1      VAL  10  -0.362  -1.138  -2.334
   73   HG21  VAL  10          1HG2      VAL  10   0.069   2.513  -2.101
   74   HG22  VAL  10          2HG2      VAL  10  -1.618   2.889  -1.751
   75   HG23  VAL  10          3HG2      VAL  10  -1.145   2.387  -3.374
   76    H    CYS  11           H        CYS  11  -3.900  -1.447  -3.424
   77    HA   CYS  11           HA       CYS  11  -3.773  -3.239  -1.144
   78    HB2  CYS  11          2HB       CYS  11  -5.560  -3.306  -3.582
   79    HB3  CYS  11          1HB       CYS  11  -5.568  -4.505  -2.294
   80    H    ARG  12           H        ARG  12  -2.229  -4.559  -1.122
   81    HA   ARG  12           HA       ARG  12  -1.498  -6.077  -3.470
   82    HB2  ARG  12          2HB       ARG  12  -0.094  -4.012  -3.303
   83    HB3  ARG  12          1HB       ARG  12   0.477  -4.606  -1.757
   84    HG2  ARG  12          2HG       ARG  12   1.638  -6.379  -2.745
   85    HG3  ARG  12          1HG       ARG  12   0.783  -6.179  -4.288
   86    HD2  ARG  12          2HD       ARG  12   1.771  -4.048  -4.632
   87    HD3  ARG  12          1HD       ARG  12   2.423  -4.107  -2.998
   88    HE   ARG  12           HE       ARG  12   3.716  -6.119  -3.964
   89   HH11  ARG  12          1HH1      ARG  12   2.857  -3.348  -5.964
   90   HH12  ARG  12          2HH1      ARG  12   4.350  -3.311  -6.798
   91   HH21  ARG  12          1HH2      ARG  12   5.810  -6.011  -5.054
   92   HH22  ARG  12          2HH2      ARG  12   6.029  -4.874  -6.299
   93    HA   PRO  13           HA       PRO  13  -2.394  -9.216  -0.455
   94    HB2  PRO  13          2HB       PRO  13  -0.159 -10.578  -1.879
   95    HB3  PRO  13          1HB       PRO  13  -1.739 -11.215  -1.401
   96    HG2  PRO  13          2HG       PRO  13  -1.337 -10.484  -3.896
   97    HG3  PRO  13          1HG       PRO  13  -2.857 -10.055  -3.086
   98    HD2  PRO  13          2HD       PRO  13  -0.519  -8.339  -3.773
   99    HD3  PRO  13          1HD       PRO  13  -2.251  -7.943  -3.719
  100    H    ASP  14           H        ASP  14   1.051  -8.628  -0.972
  101    HA   ASP  14           HA       ASP  14   1.603  -9.734   1.640
  102    HB2  ASP  14          2HB       ASP  14   3.391  -8.798  -0.594
  103    HB3  ASP  14          1HB       ASP  14   4.042  -9.195   0.987
  104    HA   PRO  15           HA       PRO  15   1.067  -5.865   3.702
  105    HB2  PRO  15          2HB       PRO  15   2.593  -6.487   5.935
  106    HB3  PRO  15          1HB       PRO  15   0.892  -6.902   5.704
  107    HG2  PRO  15          2HG       PRO  15   3.330  -8.562   5.243
  108    HG3  PRO  15          1HG       PRO  15   1.772  -9.030   5.952
  109    HD2  PRO  15          2HD       PRO  15   2.389  -9.684   3.465
  110    HD3  PRO  15          1HD       PRO  15   0.742  -9.163   3.887
  111    H    GLU  16           H        GLU  16   4.463  -7.035   4.042
  112    HA   GLU  16           HA       GLU  16   5.560  -4.432   4.519
  113    HB2  GLU  16          2HB       GLU  16   6.512  -6.855   4.971
  114    HB3  GLU  16          1HB       GLU  16   7.112  -6.728   3.333
  115    HG2  GLU  16          2HG       GLU  16   7.798  -4.855   5.579
  116    HG3  GLU  16          1HG       GLU  16   8.764  -6.236   5.068
  117    H    GLU  17           H        GLU  17   5.373  -6.562   1.855
  118    HA   GLU  17           HA       GLU  17   6.514  -5.272  -0.301
  119    HB2  GLU  17          2HB       GLU  17   5.444  -7.543  -0.152
  120    HB3  GLU  17          1HB       GLU  17   3.897  -6.742  -0.291
  121    HG2  GLU  17          2HG       GLU  17   4.399  -7.622  -2.396
  122    HG3  GLU  17          1HG       GLU  17   4.664  -5.882  -2.499
  123    H    ALA  18           H        ALA  18   3.129  -4.967   0.855
  124    HA   ALA  18           HA       ALA  18   2.371  -2.948  -0.993
  125    HB1  ALA  18          1HB       ALA  18   0.309  -2.799   0.225
  126    HB2  ALA  18          2HB       ALA  18   1.040  -3.533   1.647
  127    HB3  ALA  18          3HB       ALA  18   0.776  -4.504   0.204
  128    H    ARG  19           H        ARG  19   3.410  -2.865   2.369
  129    HA   ARG  19           HA       ARG  19   3.113  -0.141   2.940
  130    HB2  ARG  19          2HB       ARG  19   5.196  -2.109   3.885
  131    HB3  ARG  19          1HB       ARG  19   5.063  -0.481   4.519
  132    HG2  ARG  19          2HG       ARG  19   2.866  -2.530   4.633
  133    HG3  ARG  19          1HG       ARG  19   4.018  -2.224   5.933
  134    HD2  ARG  19          2HD       ARG  19   2.079  -0.225   4.769
  135    HD3  ARG  19          1HD       ARG  19   1.922  -1.044   6.320
  136    HE   ARG  19           HE       ARG  19   4.168   0.773   5.699
  137   HH11  ARG  19          1HH1      ARG  19   1.660  -0.323   7.954
  138   HH12  ARG  19          2HH1      ARG  19   2.107   0.772   9.168
  139   HH21  ARG  19          1HH2      ARG  19   4.753   2.227   7.330
  140   HH22  ARG  19          2HH2      ARG  19   3.926   2.280   8.809
  141    H    ARG  20           H        ARG  20   5.766  -1.875   1.507
  142    HA   ARG  20           HA       ARG  20   7.714   0.057   1.172
  143    HB2  ARG  20          2HB       ARG  20   7.825  -2.392   0.732
  144    HB3  ARG  20          1HB       ARG  20   6.921  -2.120  -0.741
  145    HG2  ARG  20          2HG       ARG  20   8.737  -0.755  -1.603
  146    HG3  ARG  20          1HG       ARG  20   9.657  -1.042  -0.117
  147    HD2  ARG  20          2HD       ARG  20   8.736  -3.081  -2.125
  148    HD3  ARG  20          1HD       ARG  20  10.401  -2.598  -1.776
  149    HE   ARG  20           HE       ARG  20   9.753  -3.480   0.586
  150   HH11  ARG  20          1HH1      ARG  20   9.016  -4.975  -2.536
  151   HH12  ARG  20          2HH1      ARG  20   8.665  -6.500  -1.874
  152   HH21  ARG  20          1HH2      ARG  20   9.346  -5.621   1.480
  153   HH22  ARG  20          2HH2      ARG  20   8.928  -6.893   0.433
  154    H    GLU  21           H        GLU  21   5.107  -0.857  -1.001
  155    HA   GLU  21           HA       GLU  21   5.601   1.016  -3.016
  156    HB2  GLU  21          2HB       GLU  21   3.113  -0.457  -2.200
  157    HB3  GLU  21          1HB       GLU  21   3.196   0.571  -3.624
  158    HG2  GLU  21          2HG       GLU  21   5.011  -1.770  -3.143
  159    HG3  GLU  21          1HG       GLU  21   3.503  -1.862  -4.057
  160    H    ALA  22           H        ALA  22   3.239   1.057  -0.382
  161    HA   ALA  22           HA       ALA  22   2.064   3.515  -1.032
  162    HB1  ALA  22          1HB       ALA  22   2.194   2.207   1.667
  163    HB2  ALA  22          2HB       ALA  22   1.023   1.851   0.396
  164    HB3  ALA  22          3HB       ALA  22   1.045   3.444   1.154
  165    H    GLU  23           H        GLU  23   4.553   2.802   1.408
  166    HA   GLU  23           HA       GLU  23   4.642   5.481   2.273
  167    HB2  GLU  23          2HB       GLU  23   6.534   3.194   2.743
  168    HB3  GLU  23          1HB       GLU  23   6.651   4.758   3.550
  169    HG2  GLU  23          2HG       GLU  23   4.433   4.470   4.475
  170    HG3  GLU  23          1HG       GLU  23   4.272   2.924   3.657
  171    H    GLU  24           H        GLU  24   6.337   3.787  -0.217
  172    HA   GLU  24           HA       GLU  24   8.284   5.801  -0.720
  173    HB2  GLU  24          2HB       GLU  24   8.538   3.570  -1.680
  174    HB3  GLU  24          1HB       GLU  24   7.037   3.753  -2.570
  175    HG2  GLU  24          2HG       GLU  24   8.052   5.579  -3.870
  176    HG3  GLU  24          1HG       GLU  24   9.567   5.329  -3.008
  177    H    ARG  25           H        ARG  25   5.007   5.205  -1.814
  178    HA   ARG  25           HA       ARG  25   4.834   7.316  -3.705
  179    HB2  ARG  25          2HB       ARG  25   2.642   5.926  -2.157
  180    HB3  ARG  25          1HB       ARG  25   2.368   7.041  -3.480
  181    HG2  ARG  25          2HG       ARG  25   3.808   4.409  -3.668
  182    HG3  ARG  25          1HG       ARG  25   2.142   4.698  -4.148
  183    HD2  ARG  25          2HD       ARG  25   4.579   6.015  -5.356
  184    HD3  ARG  25          1HD       ARG  25   3.652   4.702  -6.074
  185    HE   ARG  25           HE       ARG  25   2.073   7.000  -5.444
  186   HH11  ARG  25          1HH1      ARG  25   4.130   5.512  -7.925
  187   HH12  ARG  25          2HH1      ARG  25   3.485   6.430  -9.196
  188   HH21  ARG  25          1HH2      ARG  25   1.183   8.257  -7.202
  189   HH22  ARG  25          2HH2      ARG  25   1.776   8.022  -8.781
  190    H    CYS  26           H        CYS  26   4.317   7.105  -0.276
  191    HA   CYS  26           HA       CYS  26   3.127   9.651   0.008
  192    HB2  CYS  26          2HB       CYS  26   4.633   7.989   2.041
  193    HB3  CYS  26          1HB       CYS  26   3.673   9.412   2.420
  194    HN1  NH2  27           HN1      NH2  27   6.304   8.814   1.358
  195    HN2  NH2  27           HN2      NH2  27   7.080  10.255   0.819
  Start of MODEL    5
    1    H1   THR   1          1HT       THR   1  -2.980  -6.931   0.920
    2    H2   THR   1          2HT       THR   1  -4.624  -6.952   0.546
    3    H3   THR   1          3HT       THR   1  -4.040  -7.962   1.758
    4    HA   THR   1           HA       THR   1  -5.218  -6.067   2.611
    5    HB   THR   1           HB       THR   1  -3.435  -7.000   4.014
    6    HG1  THR   1          1HG       THR   1  -3.953  -5.374   5.213
    7   HG21  THR   1          1HG2      THR   1  -1.565  -5.095   2.591
    8   HG22  THR   1          2HG2      THR   1  -1.552  -6.853   2.453
    9   HG23  THR   1          3HG2      THR   1  -1.148  -6.085   3.990
   10    H    CYS   2           H        CYS   2  -5.474  -3.817   2.725
   11    HA   CYS   2           HA       CYS   2  -4.075  -2.364   0.601
   12    HB2  CYS   2          2HB       CYS   2  -6.898  -1.967   1.604
   13    HB3  CYS   2          1HB       CYS   2  -6.097  -0.961   0.407
   14    H    VAL   3           H        VAL   3  -2.689  -1.023   1.415
   15    HA   VAL   3           HA       VAL   3  -3.224   0.196   4.001
   16    HB   VAL   3           HB       VAL   3  -0.873   1.092   3.837
   17   HG11  VAL   3          1HG1      VAL   3   0.270  -1.068   4.153
   18   HG12  VAL   3          2HG1      VAL   3  -1.149  -1.894   3.509
   19   HG13  VAL   3          3HG1      VAL   3  -1.264  -0.985   5.015
   20   HG21  VAL   3          1HG2      VAL   3  -0.644   1.167   1.420
   21   HG22  VAL   3          2HG2      VAL   3  -0.771  -0.589   1.335
   22   HG23  VAL   3          3HG2      VAL   3   0.626   0.154   2.116
   23    H    GLU   4           H        GLU   4  -3.692   2.337   4.220
   24    HA   GLU   4           HA       GLU   4  -4.235   3.697   1.678
   25    HB2  GLU   4          2HB       GLU   4  -5.696   3.947   4.309
   26    HB3  GLU   4          1HB       GLU   4  -6.131   4.717   2.791
   27    HG2  GLU   4          2HG       GLU   4  -6.642   2.579   1.793
   28    HG3  GLU   4          1HG       GLU   4  -6.051   1.742   3.222
   29    H    CYS   5           H        CYS   5  -2.642   5.166   1.437
   30    HA   CYS   5           HA       CYS   5  -2.062   6.814   3.768
   31    HB2  CYS   5          2HB       CYS   5   0.136   7.342   2.665
   32    HB3  CYS   5          1HB       CYS   5  -0.039   5.661   3.139
   33    H    DAL   6           H        DAL   6  -3.412   8.424   3.625
   34    HA   DAL   6           HA       DAL   6  -2.884  10.540   1.990
   35    HB1  DAL   6          1HB       DAL   6  -5.501  10.112   3.416
   36    HB2  DAL   6          2HB       DAL   6  -4.845  11.647   2.853
   37    HB3  DAL   6          3HB       DAL   6  -4.024  10.757   4.133
   38    HA   DPR   7           HA       DPR   7  -6.342   9.674  -1.106
   39    HB2  DPR   7          1HB       DPR   7  -7.964   7.572  -1.004
   40    HB3  DPR   7          2HB       DPR   7  -8.207   8.948   0.080
   41    HG2  DPR   7          1HG       DPR   7  -6.949   6.284   0.629
   42    HG3  DPR   7          2HG       DPR   7  -8.058   7.230   1.639
   43    HD2  DPR   7          1HD       DPR   7  -5.291   7.176   1.931
   44    HD3  DPR   7          2HD       DPR   7  -6.361   8.452   2.541
   45    H    VAL   8           H        VAL   8  -3.824   7.727  -0.461
   46    HA   VAL   8           HA       VAL   8  -4.030   6.340  -3.016
   47    HB   VAL   8           HB       VAL   8  -1.619   6.745  -1.204
   48   HG11  VAL   8          1HG1      VAL   8  -0.283   5.952  -3.102
   49   HG12  VAL   8          2HG1      VAL   8  -1.761   5.645  -4.011
   50   HG13  VAL   8          3HG1      VAL   8  -1.418   4.719  -2.549
   51   HG21  VAL   8          1HG2      VAL   8  -0.838   8.344  -2.902
   52   HG22  VAL   8          2HG2      VAL   8  -2.362   8.855  -2.177
   53   HG23  VAL   8          3HG2      VAL   8  -2.349   8.133  -3.785
   54    H    LYS   9           H        LYS   9  -4.832   4.333  -2.871
   55    HA   LYS   9           HA       LYS   9  -4.367   2.842  -0.396
   56    HB2  LYS   9          2HB       LYS   9  -6.369   2.286  -2.581
   57    HB3  LYS   9          1HB       LYS   9  -6.239   1.442  -1.049
   58    HG2  LYS   9          2HG       LYS   9  -6.803   3.633   0.076
   59    HG3  LYS   9          1HG       LYS   9  -7.140   4.271  -1.526
   60    HD2  LYS   9          2HD       LYS   9  -8.528   1.928  -0.209
   61    HD3  LYS   9          1HD       LYS   9  -9.209   3.531  -0.478
   62    HE2  LYS   9          2HE       LYS   9  -9.029   3.170  -2.924
   63    HE3  LYS   9          1HE       LYS   9  -8.360   1.574  -2.616
   64    HZ1  LYS   9          1HZ       LYS   9 -10.690   1.451  -3.126
   65    HZ2  LYS   9          2HZ       LYS   9 -11.078   2.484  -1.859
   66    HZ3  LYS   9          3HZ       LYS   9 -10.433   0.955  -1.537
   67    H    VAL  10           H        VAL  10  -2.706   1.553  -0.554
   68    HA   VAL  10           HA       VAL  10  -2.106   0.338  -3.143
   69    HB   VAL  10           HB       VAL  10  -0.387   0.466  -0.643
   70   HG11  VAL  10          1HG1      VAL  10   0.046  -1.567  -1.939
   71   HG12  VAL  10          2HG1      VAL  10   1.400  -0.443  -2.017
   72   HG13  VAL  10          3HG1      VAL  10   0.298  -0.590  -3.389
   73   HG21  VAL  10          1HG2      VAL  10   1.030   1.970  -1.985
   74   HG22  VAL  10          2HG2      VAL  10  -0.582   2.632  -1.714
   75   HG23  VAL  10          3HG2      VAL  10  -0.170   1.925  -3.277
   76    H    CYS  11           H        CYS  11  -3.025  -1.517  -3.447
   77    HA   CYS  11           HA       CYS  11  -3.513  -3.265  -1.157
   78    HB2  CYS  11          2HB       CYS  11  -4.779  -3.272  -3.907
   79    HB3  CYS  11          1HB       CYS  11  -5.172  -4.375  -2.596
   80    H    ARG  12           H        ARG  12  -2.159  -4.858  -0.899
   81    HA   ARG  12           HA       ARG  12  -1.201  -6.355  -3.201
   82    HB2  ARG  12          2HB       ARG  12   0.491  -4.486  -2.534
   83    HB3  ARG  12          1HB       ARG  12   0.719  -5.408  -1.058
   84    HG2  ARG  12          2HG       ARG  12   2.496  -5.920  -2.566
   85    HG3  ARG  12          1HG       ARG  12   1.456  -7.338  -2.432
   86    HD2  ARG  12          2HD       ARG  12   2.066  -6.980  -4.756
   87    HD3  ARG  12          1HD       ARG  12   0.345  -6.678  -4.553
   88    HE   ARG  12           HE       ARG  12   2.242  -4.447  -4.485
   89   HH11  ARG  12          1HH1      ARG  12  -0.414  -6.097  -6.175
   90   HH12  ARG  12          2HH1      ARG  12  -0.767  -4.777  -7.195
   91   HH21  ARG  12          1HH2      ARG  12   1.810  -2.708  -5.913
   92   HH22  ARG  12          2HH2      ARG  12   0.540  -2.800  -7.059
   93    HA   PRO  13           HA       PRO  13  -2.258  -9.561  -0.206
   94    HB2  PRO  13          2HB       PRO  13  -0.621 -11.583  -1.123
   95    HB3  PRO  13          1HB       PRO  13  -2.193 -11.187  -1.821
   96    HG2  PRO  13          2HG       PRO  13   0.540 -10.398  -2.734
   97    HG3  PRO  13          1HG       PRO  13  -0.856 -10.909  -3.699
   98    HD2  PRO  13          2HD       PRO  13  -0.163  -8.337  -3.500
   99    HD3  PRO  13          1HD       PRO  13  -1.869  -8.827  -3.560
  100    H    ASP  14           H        ASP  14   1.020  -8.654  -0.814
  101    HA   ASP  14           HA       ASP  14   1.852  -9.796   1.736
  102    HB2  ASP  14          2HB       ASP  14   3.534  -8.583  -0.468
  103    HB3  ASP  14          1HB       ASP  14   4.159  -9.323   1.000
  104    HA   PRO  15           HA       PRO  15   1.054  -5.719   3.381
  105    HB2  PRO  15          2HB       PRO  15   2.170  -6.186   5.852
  106    HB3  PRO  15          1HB       PRO  15   0.530  -6.653   5.396
  107    HG2  PRO  15          2HG       PRO  15   3.024  -8.301   5.451
  108    HG3  PRO  15          1HG       PRO  15   1.385  -8.736   5.968
  109    HD2  PRO  15          2HD       PRO  15   2.391  -9.570   3.645
  110    HD3  PRO  15          1HD       PRO  15   0.678  -9.130   3.797
  111    H    GLU  16           H        GLU  16   4.235  -7.209   3.734
  112    HA   GLU  16           HA       GLU  16   5.627  -4.847   4.437
  113    HB2  GLU  16          2HB       GLU  16   6.771  -7.195   2.931
  114    HB3  GLU  16          1HB       GLU  16   7.641  -6.059   3.950
  115    HG2  GLU  16          2HG       GLU  16   5.628  -8.096   4.877
  116    HG3  GLU  16          1HG       GLU  16   7.375  -8.217   5.059
  117    H    GLU  17           H        GLU  17   5.036  -6.467   1.369
  118    HA   GLU  17           HA       GLU  17   6.427  -4.758  -0.366
  119    HB2  GLU  17          2HB       GLU  17   3.928  -6.392  -0.826
  120    HB3  GLU  17          1HB       GLU  17   4.883  -5.650  -2.100
  121    HG2  GLU  17          2HG       GLU  17   5.946  -7.702  -0.178
  122    HG3  GLU  17          1HG       GLU  17   5.289  -8.088  -1.764
  123    H    ALA  18           H        ALA  18   3.042  -4.788   0.678
  124    HA   ALA  18           HA       ALA  18   2.095  -2.587  -0.738
  125    HB1  ALA  18          1HB       ALA  18   0.281  -2.504   0.885
  126    HB2  ALA  18          2HB       ALA  18   1.210  -3.502   1.998
  127    HB3  ALA  18          3HB       ALA  18   0.640  -4.182   0.480
  128    H    ARG  19           H        ARG  19   3.526  -2.757   2.470
  129    HA   ARG  19           HA       ARG  19   3.282  -0.083   3.247
  130    HB2  ARG  19          2HB       ARG  19   3.896  -1.977   4.711
  131    HB3  ARG  19          1HB       ARG  19   5.445  -2.061   3.889
  132    HG2  ARG  19          2HG       ARG  19   6.103   0.058   4.772
  133    HG3  ARG  19          1HG       ARG  19   4.503   0.313   5.479
  134    HD2  ARG  19          2HD       ARG  19   6.438  -1.887   6.187
  135    HD3  ARG  19          1HD       ARG  19   6.090  -0.461   7.165
  136    HE   ARG  19           HE       ARG  19   3.786  -1.272   7.308
  137   HH11  ARG  19          1HH1      ARG  19   6.388  -3.618   6.732
  138   HH12  ARG  19          2HH1      ARG  19   5.470  -4.966   7.206
  139   HH21  ARG  19          1HH2      ARG  19   2.559  -3.142   8.041
  140   HH22  ARG  19          2HH2      ARG  19   3.267  -4.689   8.015
  141    H    ARG  20           H        ARG  20   5.919  -1.769   1.587
  142    HA   ARG  20           HA       ARG  20   7.668   0.406   1.389
  143    HB2  ARG  20          2HB       ARG  20   8.357  -1.914   0.965
  144    HB3  ARG  20          1HB       ARG  20   7.388  -1.928  -0.503
  145    HG2  ARG  20          2HG       ARG  20   8.790  -0.055  -1.365
  146    HG3  ARG  20          1HG       ARG  20   9.845  -0.267   0.033
  147    HD2  ARG  20          2HD       ARG  20  10.756  -1.463  -1.852
  148    HD3  ARG  20          1HD       ARG  20  10.178  -2.616  -0.643
  149    HE   ARG  20           HE       ARG  20   8.647  -1.858  -3.030
  150   HH11  ARG  20          1HH1      ARG  20   9.869  -4.355  -0.830
  151   HH12  ARG  20          2HH1      ARG  20   8.933  -5.606  -1.499
  152   HH21  ARG  20          1HH2      ARG  20   7.400  -3.642  -4.022
  153   HH22  ARG  20          2HH2      ARG  20   7.565  -5.207  -3.350
  154    H    GLU  21           H        GLU  21   5.306  -0.873  -0.932
  155    HA   GLU  21           HA       GLU  21   5.745   1.030  -2.939
  156    HB2  GLU  21          2HB       GLU  21   3.331  -0.651  -2.313
  157    HB3  GLU  21          1HB       GLU  21   3.476   0.322  -3.774
  158    HG2  GLU  21          2HG       GLU  21   5.468  -1.007  -4.391
  159    HG3  GLU  21          1HG       GLU  21   5.220  -1.993  -2.950
  160    H    ALA  22           H        ALA  22   3.533   1.005  -0.196
  161    HA   ALA  22           HA       ALA  22   2.057   3.289  -0.779
  162    HB1  ALA  22          1HB       ALA  22   2.913   2.306   1.939
  163    HB2  ALA  22          2HB       ALA  22   1.506   1.743   1.036
  164    HB3  ALA  22          3HB       ALA  22   1.581   3.413   1.600
  165    H    GLU  23           H        GLU  23   5.009   3.030   1.204
  166    HA   GLU  23           HA       GLU  23   5.070   5.878   1.354
  167    HB2  GLU  23          2HB       GLU  23   7.094   3.889   2.332
  168    HB3  GLU  23          1HB       GLU  23   7.219   5.629   2.583
  169    HG2  GLU  23          2HG       GLU  23   4.994   5.569   3.672
  170    HG3  GLU  23          1HG       GLU  23   5.038   3.815   3.563
  171    H    GLU  24           H        GLU  24   6.081   3.833  -0.992
  172    HA   GLU  24           HA       GLU  24   8.212   5.428  -2.050
  173    HB2  GLU  24          2HB       GLU  24   7.830   3.007  -2.628
  174    HB3  GLU  24          1HB       GLU  24   6.396   3.496  -3.517
  175    HG2  GLU  24          2HG       GLU  24   8.242   3.135  -5.032
  176    HG3  GLU  24          1HG       GLU  24   7.793   4.839  -5.010
  177    H    ARG  25           H        ARG  25   4.760   5.434  -2.192
  178    HA   ARG  25           HA       ARG  25   4.805   7.638  -4.109
  179    HB2  ARG  25          2HB       ARG  25   3.187   5.848  -4.559
  180    HB3  ARG  25          1HB       ARG  25   2.477   6.071  -2.970
  181    HG2  ARG  25          2HG       ARG  25   1.084   7.079  -4.682
  182    HG3  ARG  25          1HG       ARG  25   1.741   8.318  -3.614
  183    HD2  ARG  25          2HD       ARG  25   3.478   8.817  -5.291
  184    HD3  ARG  25          1HD       ARG  25   2.782   7.595  -6.357
  185    HE   ARG  25           HE       ARG  25   0.846   9.477  -5.545
  186   HH11  ARG  25          1HH1      ARG  25   3.561   9.119  -7.815
  187   HH12  ARG  25          2HH1      ARG  25   2.953  10.265  -8.912
  188   HH21  ARG  25          1HH2      ARG  25   0.024  11.036  -7.119
  189   HH22  ARG  25          2HH2      ARG  25   0.908  11.362  -8.523
  190    H    CYS  26           H        CYS  26   3.700   6.820  -0.864
  191    HA   CYS  26           HA       CYS  26   3.105   9.610  -0.286
  192    HB2  CYS  26          2HB       CYS  26   2.634   7.122   1.375
  193    HB3  CYS  26          1HB       CYS  26   1.977   8.729   1.677
  194    HN1  NH2  27           HN1      NH2  27   5.201  10.400  -0.094
  195    HN2  NH2  27           HN2      NH2  27   6.256   9.975   1.206
  Start of MODEL    6
    1    H1   THR   1          1HT       THR   1  -2.920  -7.381   0.563
    2    H2   THR   1          2HT       THR   1  -4.566  -7.395   0.146
    3    H3   THR   1          3HT       THR   1  -3.995  -8.478   1.291
    4    HA   THR   1           HA       THR   1  -5.231  -6.658   2.216
    5    HB   THR   1           HB       THR   1  -3.507  -7.750   3.600
    6    HG1  THR   1          1HG       THR   1  -3.207  -6.059   5.061
    7   HG21  THR   1          1HG2      THR   1  -1.538  -7.367   2.188
    8   HG22  THR   1          2HG2      THR   1  -1.250  -6.773   3.824
    9   HG23  THR   1          3HG2      THR   1  -1.622  -5.640   2.526
   10    H    CYS   2           H        CYS   2  -5.511  -4.467   2.509
   11    HA   CYS   2           HA       CYS   2  -4.081  -2.808   0.550
   12    HB2  CYS   2          2HB       CYS   2  -6.872  -2.425   1.658
   13    HB3  CYS   2          1HB       CYS   2  -6.074  -1.383   0.492
   14    H    VAL   3           H        VAL   3  -3.071  -1.046   1.228
   15    HA   VAL   3           HA       VAL   3  -3.589  -0.165   3.961
   16    HB   VAL   3           HB       VAL   3  -1.261   0.547   4.209
   17   HG11  VAL   3          1HG1      VAL   3  -1.395  -2.319   3.317
   18   HG12  VAL   3          2HG1      VAL   3  -1.678  -1.698   4.945
   19   HG13  VAL   3          3HG1      VAL   3  -0.071  -1.603   4.231
   20   HG21  VAL   3          1HG2      VAL   3   0.465   0.008   2.551
   21   HG22  VAL   3          2HG2      VAL   3  -0.758   1.111   1.912
   22   HG23  VAL   3          3HG2      VAL   3  -0.791  -0.595   1.468
   23    H    GLU   4           H        GLU   4  -3.495   2.124   4.224
   24    HA   GLU   4           HA       GLU   4  -3.765   3.546   1.686
   25    HB2  GLU   4          2HB       GLU   4  -5.364   3.933   4.209
   26    HB3  GLU   4          1HB       GLU   4  -5.458   4.960   2.784
   27    HG2  GLU   4          2HG       GLU   4  -6.221   3.066   1.461
   28    HG3  GLU   4          1HG       GLU   4  -6.112   2.031   2.877
   29    H    CYS   5           H        CYS   5  -2.609   5.252   1.454
   30    HA   CYS   5           HA       CYS   5  -1.466   6.616   3.768
   31    HB2  CYS   5          2HB       CYS   5   0.247   5.040   3.004
   32    HB3  CYS   5          1HB       CYS   5   0.081   5.626   1.355
   33    H    DAL   6           H        DAL   6  -2.311   8.549   3.546
   34    HA   DAL   6           HA       DAL   6  -1.517  10.306   1.573
   35    HB1  DAL   6          1HB       DAL   6  -2.234  10.996   3.816
   36    HB2  DAL   6          2HB       DAL   6  -3.903  10.668   3.359
   37    HB3  DAL   6          3HB       DAL   6  -3.001  11.943   2.538
   38    HA   DPR   7           HA       DPR   7  -5.634   9.967  -0.856
   39    HB2  DPR   7          1HB       DPR   7  -7.439   8.091  -0.337
   40    HB3  DPR   7          2HB       DPR   7  -7.335   9.534   0.683
   41    HG2  DPR   7          1HG       DPR   7  -6.168   6.802   1.148
   42    HG3  DPR   7          2HG       DPR   7  -7.152   7.783   2.249
   43    HD2  DPR   7          1HD       DPR   7  -4.444   7.713   2.377
   44    HD3  DPR   7          2HD       DPR   7  -5.386   9.156   2.800
   45    H    VAL   8           H        VAL   8  -3.281   7.822  -0.469
   46    HA   VAL   8           HA       VAL   8  -3.884   6.463  -2.941
   47    HB   VAL   8           HB       VAL   8  -1.375   6.338  -1.233
   48   HG11  VAL   8          1HG1      VAL   8  -1.631   4.364  -2.638
   49   HG12  VAL   8          2HG1      VAL   8  -0.304   5.377  -3.205
   50   HG13  VAL   8          3HG1      VAL   8  -1.846   5.389  -4.060
   51   HG21  VAL   8          1HG2      VAL   8  -0.365   7.808  -2.927
   52   HG22  VAL   8          2HG2      VAL   8  -1.723   8.580  -2.110
   53   HG23  VAL   8          3HG2      VAL   8  -1.926   7.933  -3.738
   54    H    LYS   9           H        LYS   9  -4.858   4.613  -2.909
   55    HA   LYS   9           HA       LYS   9  -4.798   2.920  -0.505
   56    HB2  LYS   9          2HB       LYS   9  -6.677   2.922  -2.878
   57    HB3  LYS   9          1HB       LYS   9  -6.797   1.863  -1.487
   58    HG2  LYS   9          2HG       LYS   9  -7.398   3.697  -0.064
   59    HG3  LYS   9          1HG       LYS   9  -7.047   4.863  -1.344
   60    HD2  LYS   9          2HD       LYS   9  -8.836   3.899  -2.704
   61    HD3  LYS   9          1HD       LYS   9  -9.174   2.730  -1.435
   62    HE2  LYS   9          2HE       LYS   9  -9.346   5.713  -1.062
   63    HE3  LYS   9          1HE       LYS   9 -10.715   4.706  -1.516
   64    HZ1  LYS   9          1HZ       LYS   9 -10.442   3.487   0.556
   65    HZ2  LYS   9          2HZ       LYS   9 -10.672   5.132   0.840
   66    HZ3  LYS   9          3HZ       LYS   9  -9.154   4.471   1.028
   67    H    VAL  10           H        VAL  10  -3.227   1.416  -0.756
   68    HA   VAL  10           HA       VAL  10  -2.989   0.262  -3.416
   69    HB   VAL  10           HB       VAL  10  -1.019   1.625  -3.057
   70   HG11  VAL  10          1HG1      VAL  10  -1.008   1.746  -0.646
   71   HG12  VAL  10          2HG1      VAL  10   0.568   1.237  -1.255
   72   HG13  VAL  10          3HG1      VAL  10  -0.531   0.051  -0.550
   73   HG21  VAL  10          1HG2      VAL  10  -0.350  -1.288  -2.741
   74   HG22  VAL  10          2HG2      VAL  10   0.758  -0.038  -3.308
   75   HG23  VAL  10          3HG2      VAL  10  -0.671  -0.448  -4.256
   76    H    CYS  11           H        CYS  11  -3.042  -1.859  -3.613
   77    HA   CYS  11           HA       CYS  11  -3.312  -3.421  -1.149
   78    HB2  CYS  11          2HB       CYS  11  -4.758  -3.830  -3.768
   79    HB3  CYS  11          1HB       CYS  11  -4.995  -4.732  -2.274
   80    H    ARG  12           H        ARG  12  -1.902  -4.984  -0.954
   81    HA   ARG  12           HA       ARG  12  -0.787  -6.306  -3.310
   82    HB2  ARG  12          2HB       ARG  12   0.867  -5.249  -0.985
   83    HB3  ARG  12          1HB       ARG  12   1.478  -6.278  -2.256
   84    HG2  ARG  12          2HG       ARG  12   0.434  -3.476  -2.606
   85    HG3  ARG  12          1HG       ARG  12   2.131  -3.937  -2.563
   86    HD2  ARG  12          2HD       ARG  12   1.768  -5.322  -4.579
   87    HD3  ARG  12          1HD       ARG  12   0.088  -4.786  -4.623
   88    HE   ARG  12           HE       ARG  12   2.460  -3.128  -5.040
   89   HH11  ARG  12          1HH1      ARG  12  -1.044  -3.611  -5.442
   90   HH12  ARG  12          2HH1      ARG  12  -1.263  -2.225  -6.392
   91   HH21  ARG  12          1HH2      ARG  12   2.116  -1.154  -6.263
   92   HH22  ARG  12          2HH2      ARG  12   0.554  -0.792  -6.853
   93    HA   PRO  13           HA       PRO  13  -1.633  -9.950  -0.877
   94    HB2  PRO  13          2HB       PRO  13   1.101 -10.896  -1.580
   95    HB3  PRO  13          1HB       PRO  13  -0.450 -11.709  -1.809
   96    HG2  PRO  13          2HG       PRO  13   0.799 -10.648  -3.887
   97    HG3  PRO  13          1HG       PRO  13  -0.959 -10.480  -3.720
   98    HD2  PRO  13          2HD       PRO  13   1.190  -8.467  -3.172
   99    HD3  PRO  13          1HD       PRO  13  -0.395  -8.254  -3.939
  100    H    ASP  14           H        ASP  14   1.802  -9.040  -0.583
  101    HA   ASP  14           HA       ASP  14   1.672  -9.776   2.217
  102    HB2  ASP  14          2HB       ASP  14   4.032  -8.970   0.508
  103    HB3  ASP  14          1HB       ASP  14   4.141  -9.384   2.215
  104    HA   PRO  15           HA       PRO  15   0.931  -5.665   3.600
  105    HB2  PRO  15          2HB       PRO  15   2.104  -5.864   6.086
  106    HB3  PRO  15          1HB       PRO  15   0.487  -6.464   5.702
  107    HG2  PRO  15          2HG       PRO  15   3.079  -7.955   5.826
  108    HG3  PRO  15          1HG       PRO  15   1.490  -8.435   6.443
  109    HD2  PRO  15          2HD       PRO  15   2.437  -9.424   4.158
  110    HD3  PRO  15          1HD       PRO  15   0.712  -9.020   4.325
  111    H    GLU  16           H        GLU  16   4.109  -7.062   3.847
  112    HA   GLU  16           HA       GLU  16   5.608  -4.748   4.398
  113    HB2  GLU  16          2HB       GLU  16   6.420  -7.185   2.830
  114    HB3  GLU  16          1HB       GLU  16   7.520  -6.001   3.520
  115    HG2  GLU  16          2HG       GLU  16   6.701  -6.603   5.757
  116    HG3  GLU  16          1HG       GLU  16   5.686  -7.846   5.025
  117    H    GLU  17           H        GLU  17   4.740  -6.312   1.370
  118    HA   GLU  17           HA       GLU  17   6.054  -4.545  -0.373
  119    HB2  GLU  17          2HB       GLU  17   5.222  -6.820  -0.946
  120    HB3  GLU  17          1HB       GLU  17   3.582  -6.208  -0.850
  121    HG2  GLU  17          2HG       GLU  17   4.346  -6.374  -3.154
  122    HG3  GLU  17          1HG       GLU  17   4.011  -4.704  -2.699
  123    H    ALA  18           H        ALA  18   2.776  -4.714   0.866
  124    HA   ALA  18           HA       ALA  18   1.662  -2.568  -0.528
  125    HB1  ALA  18          1HB       ALA  18   0.337  -4.221   0.725
  126    HB2  ALA  18          2HB       ALA  18  -0.085  -2.572   1.176
  127    HB3  ALA  18          3HB       ALA  18   0.936  -3.543   2.238
  128    H    ARG  19           H        ARG  19   3.215  -2.649   2.658
  129    HA   ARG  19           HA       ARG  19   3.016   0.054   3.319
  130    HB2  ARG  19          2HB       ARG  19   5.071  -2.012   4.003
  131    HB3  ARG  19          1HB       ARG  19   5.164  -0.376   4.612
  132    HG2  ARG  19          2HG       ARG  19   3.011  -0.681   5.732
  133    HG3  ARG  19          1HG       ARG  19   2.941  -2.338   5.115
  134    HD2  ARG  19          2HD       ARG  19   3.808  -2.223   7.434
  135    HD3  ARG  19          1HD       ARG  19   4.958  -2.907   6.282
  136    HE   ARG  19           HE       ARG  19   5.416  -0.161   6.467
  137   HH11  ARG  19          1HH1      ARG  19   5.846  -3.049   8.461
  138   HH12  ARG  19          2HH1      ARG  19   7.122  -2.403   9.380
  139   HH21  ARG  19          1HH2      ARG  19   7.168   0.713   7.677
  140   HH22  ARG  19          2HH2      ARG  19   7.888  -0.196   8.931
  141    H    ARG  20           H        ARG  20   5.585  -1.680   1.631
  142    HA   ARG  20           HA       ARG  20   7.290   0.506   1.322
  143    HB2  ARG  20          2HB       ARG  20   8.125  -1.746   1.074
  144    HB3  ARG  20          1HB       ARG  20   7.073  -2.032  -0.300
  145    HG2  ARG  20          2HG       ARG  20   8.919   0.237  -0.604
  146    HG3  ARG  20          1HG       ARG  20   9.683  -1.345  -0.479
  147    HD2  ARG  20          2HD       ARG  20   7.474  -0.665  -2.417
  148    HD3  ARG  20          1HD       ARG  20   9.194  -0.655  -2.811
  149    HE   ARG  20           HE       ARG  20   7.477  -2.951  -2.475
  150   HH11  ARG  20          1HH1      ARG  20  10.822  -1.797  -2.763
  151   HH12  ARG  20          2HH1      ARG  20  11.477  -3.367  -2.929
  152   HH21  ARG  20          1HH2      ARG  20   8.415  -5.086  -2.702
  153   HH22  ARG  20          2HH2      ARG  20  10.107  -5.256  -2.877
  154    H    GLU  21           H        GLU  21   4.832  -0.778  -0.851
  155    HA   GLU  21           HA       GLU  21   5.180   1.052  -2.914
  156    HB2  GLU  21          2HB       GLU  21   2.738  -0.403  -1.938
  157    HB3  GLU  21          1HB       GLU  21   2.732   0.627  -3.363
  158    HG2  GLU  21          2HG       GLU  21   4.592  -1.703  -3.038
  159    HG3  GLU  21          1HG       GLU  21   2.995  -1.830  -3.775
  160    H    ALA  22           H        ALA  22   3.112   1.205  -0.053
  161    HA   ALA  22           HA       ALA  22   1.810   3.598  -0.578
  162    HB1  ALA  22          1HB       ALA  22   1.281   3.655   1.783
  163    HB2  ALA  22          2HB       ALA  22   2.549   2.474   2.111
  164    HB3  ALA  22          3HB       ALA  22   1.139   2.010   1.158
  165    H    GLU  23           H        GLU  23   4.780   3.090   1.341
  166    HA   GLU  23           HA       GLU  23   5.068   5.836   1.967
  167    HB2  GLU  23          2HB       GLU  23   7.358   5.285   2.686
  168    HB3  GLU  23          1HB       GLU  23   6.172   4.177   3.352
  169    HG2  GLU  23          2HG       GLU  23   6.797   2.484   1.771
  170    HG3  GLU  23          1HG       GLU  23   7.890   3.598   0.953
  171    H    GLU  24           H        GLU  24   6.223   3.951  -0.762
  172    HA   GLU  24           HA       GLU  24   7.871   6.082  -1.685
  173    HB2  GLU  24          2HB       GLU  24   6.769   3.734  -3.188
  174    HB3  GLU  24          1HB       GLU  24   7.968   4.852  -3.824
  175    HG2  GLU  24          2HG       GLU  24   9.431   4.174  -1.888
  176    HG3  GLU  24          1HG       GLU  24   8.260   2.894  -1.567
  177    H    ARG  25           H        ARG  25   4.547   5.146  -2.172
  178    HA   ARG  25           HA       ARG  25   4.059   6.952  -4.320
  179    HB2  ARG  25          2HB       ARG  25   2.060   5.913  -2.294
  180    HB3  ARG  25          1HB       ARG  25   1.663   6.723  -3.790
  181    HG2  ARG  25          2HG       ARG  25   2.869   3.980  -3.452
  182    HG3  ARG  25          1HG       ARG  25   1.257   4.364  -4.028
  183    HD2  ARG  25          2HD       ARG  25   2.303   3.937  -6.005
  184    HD3  ARG  25          1HD       ARG  25   2.609   5.666  -5.875
  185    HE   ARG  25           HE       ARG  25   4.591   3.730  -4.923
  186   HH11  ARG  25          1HH1      ARG  25   3.783   6.426  -7.094
  187   HH12  ARG  25          2HH1      ARG  25   5.313   6.481  -7.811
  188   HH21  ARG  25          1HH2      ARG  25   6.650   3.790  -5.937
  189   HH22  ARG  25          2HH2      ARG  25   6.997   4.934  -7.163
  190    H    CYS  26           H        CYS  26   3.839   7.176  -0.841
  191    HA   CYS  26           HA       CYS  26   2.923   9.896  -0.875
  192    HB2  CYS  26          2HB       CYS  26   3.825   8.052   1.325
  193    HB3  CYS  26          1HB       CYS  26   3.222   9.669   1.633
  194    HN1  NH2  27           HN1      NH2  27   4.500  11.037  -1.930
  195    HN2  NH2  27           HN2      NH2  27   6.070  11.336  -1.267
  Start of MODEL    7
    1    H1   THR   1          1HT       THR   1  -2.822  -6.403   3.179
    2    H2   THR   1          2HT       THR   1  -3.958  -7.652   3.400
    3    H3   THR   1          3HT       THR   1  -4.403  -6.061   3.672
    4    HA   THR   1           HA       THR   1  -3.644  -7.283   1.101
    5    HB   THR   1           HB       THR   1  -6.312  -6.141   1.924
    6    HG1  THR   1          1HG       THR   1  -5.593  -8.911   1.904
    7   HG21  THR   1          1HG2      THR   1  -5.478  -8.057  -0.270
    8   HG22  THR   1          2HG2      THR   1  -5.887  -6.357  -0.490
    9   HG23  THR   1          3HG2      THR   1  -7.123  -7.500   0.035
   10    H    CYS   2           H        CYS   2  -5.185  -4.335   2.551
   11    HA   CYS   2           HA       CYS   2  -3.757  -2.828   0.486
   12    HB2  CYS   2          2HB       CYS   2  -6.548  -2.320   1.528
   13    HB3  CYS   2          1HB       CYS   2  -5.684  -1.310   0.375
   14    H    VAL   3           H        VAL   3  -2.914  -0.899   1.091
   15    HA   VAL   3           HA       VAL   3  -3.314  -0.101   3.871
   16    HB   VAL   3           HB       VAL   3  -1.023   0.863   3.895
   17   HG11  VAL   3          1HG1      VAL   3  -1.052  -2.076   3.251
   18   HG12  VAL   3          2HG1      VAL   3  -1.327  -1.343   4.831
   19   HG13  VAL   3          3HG1      VAL   3   0.257  -1.218   4.064
   20   HG21  VAL   3          1HG2      VAL   3   0.613   0.236   2.158
   21   HG22  VAL   3          2HG2      VAL   3  -0.695   1.234   1.523
   22   HG23  VAL   3          3HG2      VAL   3  -0.693  -0.504   1.228
   23    H    GLU   4           H        GLU   4  -3.950   1.888   4.146
   24    HA   GLU   4           HA       GLU   4  -4.357   3.513   1.782
   25    HB2  GLU   4          2HB       GLU   4  -5.385   3.957   4.600
   26    HB3  GLU   4          1HB       GLU   4  -5.854   4.865   3.176
   27    HG2  GLU   4          2HG       GLU   4  -7.652   3.461   3.407
   28    HG3  GLU   4          1HG       GLU   4  -6.650   2.521   2.312
   29    H    CYS   5           H        CYS   5  -2.855   4.946   1.313
   30    HA   CYS   5           HA       CYS   5  -1.618   6.401   3.536
   31    HB2  CYS   5          2HB       CYS   5   0.009   4.743   2.625
   32    HB3  CYS   5          1HB       CYS   5  -0.166   5.485   1.037
   33    H    DAL   6           H        DAL   6  -2.183   8.429   3.381
   34    HA   DAL   6           HA       DAL   6  -1.825  10.051   1.173
   35    HB1  DAL   6          1HB       DAL   6  -3.078  11.758   2.334
   36    HB2  DAL   6          2HB       DAL   6  -2.050  10.897   3.477
   37    HB3  DAL   6          3HB       DAL   6  -3.778  10.560   3.419
   38    HA   DPR   7           HA       DPR   7  -6.407   9.509  -0.166
   39    HB2  DPR   7          1HB       DPR   7  -7.501   7.123   1.092
   40    HB3  DPR   7          2HB       DPR   7  -8.112   8.779   1.154
   41    HG2  DPR   7          1HG       DPR   7  -7.074   7.532   3.318
   42    HG3  DPR   7          2HG       DPR   7  -6.932   9.281   3.065
   43    HD2  DPR   7          1HD       DPR   7  -4.926   7.125   2.493
   44    HD3  DPR   7          2HD       DPR   7  -4.691   8.680   3.317
   45    H    VAL   8           H        VAL   8  -3.889   7.547  -0.397
   46    HA   VAL   8           HA       VAL   8  -4.967   6.245  -2.740
   47    HB   VAL   8           HB       VAL   8  -2.117   6.339  -1.709
   48   HG11  VAL   8          1HG1      VAL   8  -1.476   5.677  -3.980
   49   HG12  VAL   8          2HG1      VAL   8  -3.177   5.543  -4.420
   50   HG13  VAL   8          3HG1      VAL   8  -2.493   4.456  -3.211
   51   HG21  VAL   8          1HG2      VAL   8  -1.746   8.052  -3.436
   52   HG22  VAL   8          2HG2      VAL   8  -2.919   8.572  -2.227
   53   HG23  VAL   8          3HG2      VAL   8  -3.469   8.029  -3.811
   54    H    LYS   9           H        LYS   9  -5.630   4.205  -2.708
   55    HA   LYS   9           HA       LYS   9  -4.914   2.504  -0.461
   56    HB2  LYS   9          2HB       LYS   9  -6.763   1.946  -2.792
   57    HB3  LYS   9          1HB       LYS   9  -6.507   0.885  -1.424
   58    HG2  LYS   9          2HG       LYS   9  -7.461   2.681   0.036
   59    HG3  LYS   9          1HG       LYS   9  -7.868   3.570  -1.436
   60    HD2  LYS   9          2HD       LYS   9  -9.160   1.595  -2.223
   61    HD3  LYS   9          1HD       LYS   9  -8.815   0.799  -0.694
   62    HE2  LYS   9          2HE       LYS   9 -11.014   1.724  -0.560
   63    HE3  LYS   9          1HE       LYS   9  -9.947   2.684   0.464
   64    HZ1  LYS   9          1HZ       LYS   9  -9.840   4.351  -1.315
   65    HZ2  LYS   9          2HZ       LYS   9 -11.430   4.082  -0.833
   66    HZ3  LYS   9          3HZ       LYS   9 -10.869   3.418  -2.260
   67    H    VAL  10           H        VAL  10  -3.091   1.460  -0.642
   68    HA   VAL  10           HA       VAL  10  -2.258   0.472  -3.278
   69    HB   VAL  10           HB       VAL  10  -0.641   0.692  -0.711
   70   HG11  VAL  10          1HG1      VAL  10   0.140  -1.112  -2.154
   71   HG12  VAL  10          2HG1      VAL  10   1.294   0.222  -2.113
   72   HG13  VAL  10          3HG1      VAL  10   0.242   0.011  -3.513
   73   HG21  VAL  10          1HG2      VAL  10   0.543   2.533  -1.825
   74   HG22  VAL  10          2HG2      VAL  10  -1.169   2.897  -1.607
   75   HG23  VAL  10          3HG2      VAL  10  -0.564   2.413  -3.191
   76    H    CYS  11           H        CYS  11  -2.611  -1.651  -3.640
   77    HA   CYS  11           HA       CYS  11  -3.092  -3.317  -1.290
   78    HB2  CYS  11          2HB       CYS  11  -4.438  -3.518  -3.983
   79    HB3  CYS  11          1HB       CYS  11  -4.727  -4.569  -2.600
   80    H    ARG  12           H        ARG  12  -2.086  -5.147  -1.097
   81    HA   ARG  12           HA       ARG  12  -0.914  -6.561  -3.276
   82    HB2  ARG  12          2HB       ARG  12   0.750  -4.689  -2.620
   83    HB3  ARG  12          1HB       ARG  12   0.877  -5.499  -1.069
   84    HG2  ARG  12          2HG       ARG  12   2.744  -6.095  -2.435
   85    HG3  ARG  12          1HG       ARG  12   1.710  -7.513  -2.230
   86    HD2  ARG  12          2HD       ARG  12   2.455  -7.329  -4.537
   87    HD3  ARG  12          1HD       ARG  12   0.714  -7.074  -4.425
   88    HE   ARG  12           HE       ARG  12   2.280  -4.653  -4.360
   89   HH11  ARG  12          1HH1      ARG  12   0.596  -6.949  -6.485
   90   HH12  ARG  12          2HH1      ARG  12   0.512  -5.865  -7.798
   91   HH21  ARG  12          1HH2      ARG  12   2.174  -3.217  -6.094
   92   HH22  ARG  12          2HH2      ARG  12   1.440  -3.643  -7.578
   93    HA   PRO  13           HA       PRO  13  -2.221  -9.682  -0.195
   94    HB2  PRO  13          2HB       PRO  13  -0.118 -11.318  -1.541
   95    HB3  PRO  13          1HB       PRO  13  -1.807 -11.723  -1.212
   96    HG2  PRO  13          2HG       PRO  13  -1.053 -11.087  -3.668
   97    HG3  PRO  13          1HG       PRO  13  -2.591 -10.485  -3.021
   98    HD2  PRO  13          2HD       PRO  13   0.007  -9.043  -3.378
   99    HD3  PRO  13          1HD       PRO  13  -1.653  -8.473  -3.645
  100    H    ASP  14           H        ASP  14   0.901  -8.505  -0.657
  101    HA   ASP  14           HA       ASP  14   1.874  -9.584   1.885
  102    HB2  ASP  14          2HB       ASP  14   3.444  -8.274  -0.351
  103    HB3  ASP  14          1HB       ASP  14   4.122  -9.003   1.099
  104    HA   PRO  15           HA       PRO  15   0.578  -5.395   3.025
  105    HB2  PRO  15          2HB       PRO  15   1.262  -5.613   5.673
  106    HB3  PRO  15          1HB       PRO  15  -0.257  -6.204   4.991
  107    HG2  PRO  15          2HG       PRO  15   2.264  -7.689   5.568
  108    HG3  PRO  15          1HG       PRO  15   0.595  -8.175   5.906
  109    HD2  PRO  15          2HD       PRO  15   1.928  -9.160   3.834
  110    HD3  PRO  15          1HD       PRO  15   0.201  -8.771   3.683
  111    H    GLU  16           H        GLU  16   3.706  -6.807   3.883
  112    HA   GLU  16           HA       GLU  16   4.974  -4.385   4.573
  113    HB2  GLU  16          2HB       GLU  16   5.932  -6.560   5.160
  114    HB3  GLU  16          1HB       GLU  16   6.149  -6.930   3.453
  115    HG2  GLU  16          2HG       GLU  16   7.718  -5.093   3.254
  116    HG3  GLU  16          1HG       GLU  16   7.517  -4.740   4.970
  117    H    GLU  17           H        GLU  17   4.719  -6.164   1.534
  118    HA   GLU  17           HA       GLU  17   6.265  -4.372  -0.014
  119    HB2  GLU  17          2HB       GLU  17   4.110  -6.315  -0.836
  120    HB3  GLU  17          1HB       GLU  17   5.155  -5.462  -1.963
  121    HG2  GLU  17          2HG       GLU  17   6.100  -7.365   0.165
  122    HG3  GLU  17          1HG       GLU  17   5.858  -7.789  -1.527
  123    H    ALA  18           H        ALA  18   2.845  -4.585   0.746
  124    HA   ALA  18           HA       ALA  18   1.908  -2.551  -0.943
  125    HB1  ALA  18          1HB       ALA  18   0.841  -3.319   1.781
  126    HB2  ALA  18          2HB       ALA  18   0.407  -4.108   0.267
  127    HB3  ALA  18          3HB       ALA  18  -0.034  -2.425   0.540
  128    H    ARG  19           H        ARG  19   2.945  -2.406   2.453
  129    HA   ARG  19           HA       ARG  19   2.686   0.369   2.861
  130    HB2  ARG  19          2HB       ARG  19   3.152  -1.423   4.600
  131    HB3  ARG  19          1HB       ARG  19   4.822  -1.399   4.057
  132    HG2  ARG  19          2HG       ARG  19   4.679   1.146   4.559
  133    HG3  ARG  19          1HG       ARG  19   3.292   0.686   5.551
  134    HD2  ARG  19          2HD       ARG  19   5.199   0.667   6.972
  135    HD3  ARG  19          1HD       ARG  19   4.790  -1.021   6.640
  136    HE   ARG  19           HE       ARG  19   6.825   0.425   5.104
  137   HH11  ARG  19          1HH1      ARG  19   5.944  -2.381   7.097
  138   HH12  ARG  19          2HH1      ARG  19   7.408  -3.205   6.877
  139   HH21  ARG  19          1HH2      ARG  19   8.844  -0.728   4.729
  140   HH22  ARG  19          2HH2      ARG  19   9.134  -2.230   5.467
  141    H    ARG  20           H        ARG  20   5.366  -1.612   1.776
  142    HA   ARG  20           HA       ARG  20   7.422   0.198   1.466
  143    HB2  ARG  20          2HB       ARG  20   7.624  -2.214   1.289
  144    HB3  ARG  20          1HB       ARG  20   6.661  -2.203  -0.170
  145    HG2  ARG  20          2HG       ARG  20   8.451  -0.985  -1.316
  146    HG3  ARG  20          1HG       ARG  20   9.421  -1.064   0.164
  147    HD2  ARG  20          2HD       ARG  20   9.278  -3.497   0.135
  148    HD3  ARG  20          1HD       ARG  20   8.318  -3.428  -1.337
  149    HE   ARG  20           HE       ARG  20  10.654  -2.079  -1.855
  150   HH11  ARG  20          1HH1      ARG  20   9.703  -5.411  -1.003
  151   HH12  ARG  20          2HH1      ARG  20  11.093  -6.093  -1.713
  152   HH21  ARG  20          1HH2      ARG  20  12.458  -3.066  -2.891
  153   HH22  ARG  20          2HH2      ARG  20  12.662  -4.761  -2.850
  154    H    GLU  21           H        GLU  21   5.028  -0.820  -0.972
  155    HA   GLU  21           HA       GLU  21   5.820   0.976  -2.975
  156    HB2  GLU  21          2HB       GLU  21   3.194  -0.403  -2.459
  157    HB3  GLU  21          1HB       GLU  21   3.500   0.560  -3.898
  158    HG2  GLU  21          2HG       GLU  21   5.307  -0.970  -4.511
  159    HG3  GLU  21          1HG       GLU  21   4.991  -1.918  -3.060
  160    H    ALA  22           H        ALA  22   3.433   1.235  -0.405
  161    HA   ALA  22           HA       ALA  22   2.279   3.674  -1.164
  162    HB1  ALA  22          1HB       ALA  22   1.280   2.153   0.480
  163    HB2  ALA  22          2HB       ALA  22   1.421   3.798   1.103
  164    HB3  ALA  22          3HB       ALA  22   2.563   2.558   1.620
  165    H    GLU  23           H        GLU  23   4.866   3.078   1.222
  166    HA   GLU  23           HA       GLU  23   5.301   5.756   1.926
  167    HB2  GLU  23          2HB       GLU  23   7.263   3.461   1.916
  168    HB3  GLU  23          1HB       GLU  23   7.506   4.992   2.740
  169    HG2  GLU  23          2HG       GLU  23   5.598   4.518   4.183
  170    HG3  GLU  23          1HG       GLU  23   5.342   2.993   3.336
  171    H    GLU  24           H        GLU  24   6.519   3.882  -0.749
  172    HA   GLU  24           HA       GLU  24   8.567   5.719  -1.527
  173    HB2  GLU  24          2HB       GLU  24   8.529   3.256  -2.032
  174    HB3  GLU  24          1HB       GLU  24   7.228   3.554  -3.168
  175    HG2  GLU  24          2HG       GLU  24   9.340   3.304  -4.325
  176    HG3  GLU  24          1HG       GLU  24   8.729   4.947  -4.513
  177    H    ARG  25           H        ARG  25   5.202   5.723  -1.845
  178    HA   ARG  25           HA       ARG  25   5.297   7.570  -4.129
  179    HB2  ARG  25          2HB       ARG  25   2.939   6.075  -2.962
  180    HB3  ARG  25          1HB       ARG  25   2.870   7.155  -4.354
  181    HG2  ARG  25          2HG       ARG  25   4.305   5.721  -5.617
  182    HG3  ARG  25          1HG       ARG  25   4.587   4.699  -4.215
  183    HD2  ARG  25          2HD       ARG  25   2.154   4.158  -4.219
  184    HD3  ARG  25          1HD       ARG  25   2.015   5.052  -5.739
  185    HE   ARG  25           HE       ARG  25   3.950   3.444  -6.381
  186   HH11  ARG  25          1HH1      ARG  25   0.873   2.676  -4.897
  187   HH12  ARG  25          2HH1      ARG  25   0.998   0.994  -5.164
  188   HH21  ARG  25          1HH2      ARG  25   4.129   1.182  -6.781
  189   HH22  ARG  25          2HH2      ARG  25   2.954   0.092  -6.214
  190    H    CYS  26           H        CYS  26   4.250   7.215  -0.826
  191    HA   CYS  26           HA       CYS  26   3.149   9.851  -0.646
  192    HB2  CYS  26          2HB       CYS  26   3.867   7.814   1.467
  193    HB3  CYS  26          1HB       CYS  26   3.037   9.328   1.796
  194    HN1  NH2  27           HN1      NH2  27   4.763  11.258  -1.235
  195    HN2  NH2  27           HN2      NH2  27   6.178  11.535  -0.279
  Start of MODEL    8
    1    H1   THR   1          1HT       THR   1  -2.332  -7.336   1.373
    2    H2   THR   1          2HT       THR   1  -3.245  -8.339   2.427
    3    H3   THR   1          3HT       THR   1  -2.846  -6.763   2.899
    4    HA   THR   1           HA       THR   1  -4.475  -7.537   0.616
    5    HB   THR   1           HB       THR   1  -5.467  -6.322   3.193
    6    HG1  THR   1          1HG       THR   1  -6.213  -8.834   3.010
    7   HG21  THR   1          1HG2      THR   1  -7.630  -7.141   2.347
    8   HG22  THR   1          2HG2      THR   1  -6.827  -7.813   0.933
    9   HG23  THR   1          3HG2      THR   1  -6.876  -6.067   1.169
   10    H    CYS   2           H        CYS   2  -4.679  -4.649   2.790
   11    HA   CYS   2           HA       CYS   2  -3.803  -3.007   0.558
   12    HB2  CYS   2          2HB       CYS   2  -6.530  -2.685   1.840
   13    HB3  CYS   2          1HB       CYS   2  -5.808  -1.576   0.689
   14    H    VAL   3           H        VAL   3  -2.868  -1.166   1.177
   15    HA   VAL   3           HA       VAL   3  -3.122  -0.346   3.980
   16    HB   VAL   3           HB       VAL   3  -0.832   0.552   3.904
   17   HG11  VAL   3          1HG1      VAL   3   0.449  -1.542   3.871
   18   HG12  VAL   3          2HG1      VAL   3  -0.926  -2.350   3.116
   19   HG13  VAL   3          3HG1      VAL   3  -1.076  -1.692   4.744
   20   HG21  VAL   3          1HG2      VAL   3   0.683   0.012   2.020
   21   HG22  VAL   3          2HG2      VAL   3  -0.647   1.068   1.550
   22   HG23  VAL   3          3HG2      VAL   3  -0.699  -0.645   1.142
   23    H    GLU   4           H        GLU   4  -3.068   1.979   4.291
   24    HA   GLU   4           HA       GLU   4  -3.625   3.456   1.834
   25    HB2  GLU   4          2HB       GLU   4  -5.318   3.541   4.334
   26    HB3  GLU   4          1HB       GLU   4  -5.518   4.598   2.943
   27    HG2  GLU   4          2HG       GLU   4  -5.999   2.656   1.540
   28    HG3  GLU   4          1HG       GLU   4  -5.816   1.602   2.940
   29    H    CYS   5           H        CYS   5  -2.345   5.079   1.671
   30    HA   CYS   5           HA       CYS   5  -1.489   6.513   4.094
   31    HB2  CYS   5          2HB       CYS   5   0.395   5.222   3.101
   32    HB3  CYS   5          1HB       CYS   5   0.131   6.047   1.571
   33    H    DAL   6           H        DAL   6  -2.724   8.307   4.019
   34    HA   DAL   6           HA       DAL   6  -2.161  10.370   2.309
   35    HB1  DAL   6          1HB       DAL   6  -4.016  11.592   3.232
   36    HB2  DAL   6          2HB       DAL   6  -3.236  10.656   4.506
   37    HB3  DAL   6          3HB       DAL   6  -4.759  10.106   3.819
   38    HA   DPR   7           HA       DPR   7  -5.848   9.619  -0.610
   39    HB2  DPR   7          1HB       DPR   7  -7.544   7.593  -0.353
   40    HB3  DPR   7          2HB       DPR   7  -7.661   9.004   0.708
   41    HG2  DPR   7          1HG       DPR   7  -6.443   6.314   1.245
   42    HG3  DPR   7          2HG       DPR   7  -7.503   7.288   2.280
   43    HD2  DPR   7          1HD       DPR   7  -4.763   7.207   2.515
   44    HD3  DPR   7          2HD       DPR   7  -5.785   8.548   3.063
   45    H    VAL   8           H        VAL   8  -3.370   7.676  -0.116
   46    HA   VAL   8           HA       VAL   8  -3.629   6.345  -2.676
   47    HB   VAL   8           HB       VAL   8  -1.275   6.458  -0.754
   48   HG11  VAL   8          1HG1      VAL   8  -1.154   4.549  -2.252
   49   HG12  VAL   8          2HG1      VAL   8   0.076   5.745  -2.667
   50   HG13  VAL   8          3HG1      VAL   8  -1.389   5.610  -3.641
   51   HG21  VAL   8          1HG2      VAL   8  -1.799   8.097  -3.233
   52   HG22  VAL   8          2HG2      VAL   8  -0.325   8.136  -2.264
   53   HG23  VAL   8          3HG2      VAL   8  -1.850   8.683  -1.571
   54    H    LYS   9           H        LYS   9  -4.616   4.459  -2.631
   55    HA   LYS   9           HA       LYS   9  -4.356   2.696  -0.297
   56    HB2  LYS   9          2HB       LYS   9  -6.648   3.352  -1.025
   57    HB3  LYS   9          1HB       LYS   9  -6.328   2.636  -2.596
   58    HG2  LYS   9          2HG       LYS   9  -5.914   0.455  -1.340
   59    HG3  LYS   9          1HG       LYS   9  -6.647   1.251   0.051
   60    HD2  LYS   9          2HD       LYS   9  -7.939   0.843  -2.649
   61    HD3  LYS   9          1HD       LYS   9  -8.285  -0.075  -1.190
   62    HE2  LYS   9          2HE       LYS   9  -8.716   2.900  -1.484
   63    HE3  LYS   9          1HE       LYS   9  -9.958   1.679  -1.736
   64    HZ1  LYS   9          1HZ       LYS   9  -8.590   2.324   0.839
   65    HZ2  LYS   9          2HZ       LYS   9  -9.555   0.973   0.590
   66    HZ3  LYS   9          3HZ       LYS   9 -10.213   2.503   0.434
   67    H    VAL  10           H        VAL  10  -2.882   1.153  -0.582
   68    HA   VAL  10           HA       VAL  10  -2.384   0.185  -3.313
   69    HB   VAL  10           HB       VAL  10  -0.439   0.185  -0.979
   70   HG11  VAL  10          1HG1      VAL  10  -0.148  -1.719  -2.484
   71   HG12  VAL  10          2HG1      VAL  10   1.205  -0.599  -2.593
   72   HG13  VAL  10          3HG1      VAL  10  -0.025  -0.623  -3.860
   73   HG21  VAL  10          1HG2      VAL  10  -0.769   2.429  -1.864
   74   HG22  VAL  10          2HG2      VAL  10  -0.461   1.842  -3.499
   75   HG23  VAL  10          3HG2      VAL  10   0.831   1.824  -2.299
   76    H    CYS  11           H        CYS  11  -3.094  -1.784  -3.638
   77    HA   CYS  11           HA       CYS  11  -3.404  -3.513  -1.323
   78    HB2  CYS  11          2HB       CYS  11  -4.927  -3.505  -3.923
   79    HB3  CYS  11          1HB       CYS  11  -5.145  -4.675  -2.622
   80    H    ARG  12           H        ARG  12  -2.005  -4.980  -1.104
   81    HA   ARG  12           HA       ARG  12  -1.024  -6.564  -3.358
   82    HB2  ARG  12          2HB       ARG  12   0.795  -5.546  -1.133
   83    HB3  ARG  12          1HB       ARG  12   1.244  -6.605  -2.440
   84    HG2  ARG  12          2HG       ARG  12   0.412  -3.741  -2.751
   85    HG3  ARG  12          1HG       ARG  12   2.069  -4.347  -2.782
   86    HD2  ARG  12          2HD       ARG  12   1.584  -5.650  -4.750
   87    HD3  ARG  12          1HD       ARG  12  -0.114  -5.169  -4.672
   88    HE   ARG  12           HE       ARG  12   2.042  -3.221  -5.003
   89   HH11  ARG  12          1HH1      ARG  12  -1.018  -4.650  -6.119
   90   HH12  ARG  12          2HH1      ARG  12  -1.306  -3.428  -7.276
   91   HH21  ARG  12          1HH2      ARG  12   1.571  -1.528  -6.475
   92   HH22  ARG  12          2HH2      ARG  12   0.209  -1.606  -7.503
   93    HA   PRO  13           HA       PRO  13  -2.112  -9.873  -0.585
   94    HB2  PRO  13          2HB       PRO  13   0.560 -11.003  -1.278
   95    HB3  PRO  13          1HB       PRO  13  -1.025 -11.787  -1.341
   96    HG2  PRO  13          2HG       PRO  13   0.139 -11.029  -3.578
   97    HG3  PRO  13          1HG       PRO  13  -1.595 -10.734  -3.344
   98    HD2  PRO  13          2HD       PRO  13   0.695  -8.827  -3.130
   99    HD3  PRO  13          1HD       PRO  13  -0.915  -8.579  -3.838
  100    H    ASP  14           H        ASP  14   1.285  -8.961  -0.568
  101    HA   ASP  14           HA       ASP  14   1.513  -9.428   2.265
  102    HB2  ASP  14          2HB       ASP  14   3.510  -8.453   0.217
  103    HB3  ASP  14          1HB       ASP  14   3.883  -8.653   1.924
  104    HA   PRO  15           HA       PRO  15   0.099  -5.219   3.013
  105    HB2  PRO  15          2HB       PRO  15   0.768  -5.224   5.692
  106    HB3  PRO  15          1HB       PRO  15  -0.746  -5.859   5.042
  107    HG2  PRO  15          2HG       PRO  15   1.757  -7.310   5.794
  108    HG3  PRO  15          1HG       PRO  15   0.070  -7.773   6.079
  109    HD2  PRO  15          2HD       PRO  15   1.512  -8.878   4.143
  110    HD3  PRO  15          1HD       PRO  15  -0.210  -8.521   3.896
  111    H    GLU  16           H        GLU  16   3.184  -6.404   4.252
  112    HA   GLU  16           HA       GLU  16   4.289  -3.825   4.631
  113    HB2  GLU  16          2HB       GLU  16   5.618  -6.531   4.450
  114    HB3  GLU  16          1HB       GLU  16   6.413  -5.050   4.986
  115    HG2  GLU  16          2HG       GLU  16   4.916  -4.867   6.860
  116    HG3  GLU  16          1HG       GLU  16   3.990  -6.252   6.297
  117    H    GLU  17           H        GLU  17   4.270  -6.096   1.977
  118    HA   GLU  17           HA       GLU  17   6.141  -4.832   0.289
  119    HB2  GLU  17          2HB       GLU  17   5.290  -7.076  -0.182
  120    HB3  GLU  17          1HB       GLU  17   3.663  -6.432  -0.365
  121    HG2  GLU  17          2HG       GLU  17   4.402  -5.159  -2.316
  122    HG3  GLU  17          1HG       GLU  17   6.012  -5.850  -2.147
  123    H    ALA  18           H        ALA  18   2.666  -4.555   0.667
  124    HA   ALA  18           HA       ALA  18   2.173  -2.556  -1.224
  125    HB1  ALA  18          1HB       ALA  18   0.389  -3.904  -0.172
  126    HB2  ALA  18          2HB       ALA  18   0.083  -2.182  -0.035
  127    HB3  ALA  18          3HB       ALA  18   0.691  -3.078   1.357
  128    H    ARG  19           H        ARG  19   2.807  -2.381   2.237
  129    HA   ARG  19           HA       ARG  19   2.659   0.351   2.652
  130    HB2  ARG  19          2HB       ARG  19   2.890  -1.338   4.442
  131    HB3  ARG  19          1HB       ARG  19   4.562  -1.588   3.971
  132    HG2  ARG  19          2HG       ARG  19   5.039   0.773   4.531
  133    HG3  ARG  19          1HG       ARG  19   3.375   0.945   5.090
  134    HD2  ARG  19          2HD       ARG  19   4.802   0.541   6.988
  135    HD3  ARG  19          1HD       ARG  19   3.783  -0.873   6.719
  136    HE   ARG  19           HE       ARG  19   6.303  -1.098   5.406
  137   HH11  ARG  19          1HH1      ARG  19   4.779  -1.474   8.576
  138   HH12  ARG  19          2HH1      ARG  19   5.938  -2.583   9.145
  139   HH21  ARG  19          1HH2      ARG  19   7.894  -2.593   6.202
  140   HH22  ARG  19          2HH2      ARG  19   7.740  -3.236   7.774
  141    H    ARG  20           H        ARG  20   5.413  -1.571   1.548
  142    HA   ARG  20           HA       ARG  20   7.277   0.516   1.674
  143    HB2  ARG  20          2HB       ARG  20   7.989  -1.815   1.567
  144    HB3  ARG  20          1HB       ARG  20   7.336  -1.963  -0.052
  145    HG2  ARG  20          2HG       ARG  20   9.842  -1.726   0.105
  146    HG3  ARG  20          1HG       ARG  20   9.035  -0.583  -0.967
  147    HD2  ARG  20          2HD       ARG  20  10.830   0.410   0.500
  148    HD3  ARG  20          1HD       ARG  20   9.251   1.180   0.606
  149    HE   ARG  20           HE       ARG  20   9.867  -0.857   2.576
  150   HH11  ARG  20          1HH1      ARG  20   9.817   2.601   1.824
  151   HH12  ARG  20          2HH1      ARG  20   9.656   3.106   3.442
  152   HH21  ARG  20          1HH2      ARG  20   9.584  -0.147   4.839
  153   HH22  ARG  20          2HH2      ARG  20   9.468   1.518   5.160
  154    H    GLU  21           H        GLU  21   5.406  -0.624  -1.157
  155    HA   GLU  21           HA       GLU  21   6.527   1.480  -2.721
  156    HB2  GLU  21          2HB       GLU  21   4.930   0.818  -4.487
  157    HB3  GLU  21          1HB       GLU  21   5.867  -0.533  -3.877
  158    HG2  GLU  21          2HG       GLU  21   3.981  -1.318  -2.606
  159    HG3  GLU  21          1HG       GLU  21   3.059   0.119  -3.058
  160    H    ALA  22           H        ALA  22   3.761   1.175  -0.688
  161    HA   ALA  22           HA       ALA  22   2.310   3.418  -1.554
  162    HB1  ALA  22          1HB       ALA  22   1.378   1.773   0.023
  163    HB2  ALA  22          2HB       ALA  22   1.277   3.413   0.664
  164    HB3  ALA  22          3HB       ALA  22   2.523   2.312   1.250
  165    H    GLU  23           H        GLU  23   4.660   3.103   1.112
  166    HA   GLU  23           HA       GLU  23   4.787   5.815   1.797
  167    HB2  GLU  23          2HB       GLU  23   6.910   3.681   2.031
  168    HB3  GLU  23          1HB       GLU  23   7.020   5.267   2.773
  169    HG2  GLU  23          2HG       GLU  23   4.942   3.174   3.360
  170    HG3  GLU  23          1HG       GLU  23   6.329   3.576   4.368
  171    H    GLU  24           H        GLU  24   6.382   4.027  -0.697
  172    HA   GLU  24           HA       GLU  24   8.391   5.866  -1.361
  173    HB2  GLU  24          2HB       GLU  24   8.280   3.462  -2.035
  174    HB3  GLU  24          1HB       GLU  24   7.023   3.894  -3.184
  175    HG2  GLU  24          2HG       GLU  24   9.153   3.706  -4.297
  176    HG3  GLU  24          1HG       GLU  24   8.595   5.379  -4.326
  177    H    ARG  25           H        ARG  25   5.053   5.499  -2.508
  178    HA   ARG  25           HA       ARG  25   5.471   7.782  -4.304
  179    HB2  ARG  25          2HB       ARG  25   3.179   5.817  -4.210
  180    HB3  ARG  25          1HB       ARG  25   3.352   7.124  -5.376
  181    HG2  ARG  25          2HG       ARG  25   5.425   6.102  -6.201
  182    HG3  ARG  25          1HG       ARG  25   5.221   4.785  -5.049
  183    HD2  ARG  25          2HD       ARG  25   3.340   5.498  -7.298
  184    HD3  ARG  25          1HD       ARG  25   4.456   4.143  -7.291
  185    HE   ARG  25           HE       ARG  25   2.035   4.444  -5.682
  186   HH11  ARG  25          1HH1      ARG  25   4.722   2.361  -6.705
  187   HH12  ARG  25          2HH1      ARG  25   3.894   0.907  -6.322
  188   HH21  ARG  25          1HH2      ARG  25   0.944   2.377  -5.181
  189   HH22  ARG  25          2HH2      ARG  25   1.829   0.915  -5.447
  190    H    CYS  26           H        CYS  26   4.045   7.027  -1.351
  191    HA   CYS  26           HA       CYS  26   2.089   9.121  -1.351
  192    HB2  CYS  26          2HB       CYS  26   1.766   7.061  -0.028
  193    HB3  CYS  26          1HB       CYS  26   3.192   7.441   0.919
  194    HN1  NH2  27           HN1      NH2  27   4.912   8.633   0.787
  195    HN2  NH2  27           HN2      NH2  27   5.330  10.301   0.857
  Start of MODEL    9
    1    H1   THR   1          1HT       THR   1  -4.210  -5.818   4.116
    2    H2   THR   1          2HT       THR   1  -2.535  -5.702   3.996
    3    H3   THR   1          3HT       THR   1  -3.284  -7.224   4.066
    4    HA   THR   1           HA       THR   1  -2.540  -6.768   1.886
    5    HB   THR   1           HB       THR   1  -5.567  -6.654   2.093
    6    HG1  THR   1          1HG       THR   1  -4.470  -9.130   1.854
    7   HG21  THR   1          1HG2      THR   1  -4.690  -6.472  -0.210
    8   HG22  THR   1          2HG2      THR   1  -5.503  -8.017   0.043
    9   HG23  THR   1          3HG2      THR   1  -3.742  -7.938   0.040
   10    H    CYS   2           H        CYS   2  -5.007  -4.325   2.945
   11    HA   CYS   2           HA       CYS   2  -3.916  -2.587   0.875
   12    HB2  CYS   2          2HB       CYS   2  -6.711  -2.706   2.002
   13    HB3  CYS   2          1HB       CYS   2  -6.125  -1.444   0.925
   14    H    VAL   3           H        VAL   3  -3.158  -0.728   1.470
   15    HA   VAL   3           HA       VAL   3  -3.842   0.331   4.093
   16    HB   VAL   3           HB       VAL   3  -1.475   1.298   4.224
   17   HG11  VAL   3          1HG1      VAL   3  -2.123  -0.565   5.633
   18   HG12  VAL   3          2HG1      VAL   3  -0.460  -0.769   5.070
   19   HG13  VAL   3          3HG1      VAL   3  -1.761  -1.698   4.328
   20   HG21  VAL   3          1HG2      VAL   3   0.292   0.130   2.970
   21   HG22  VAL   3          2HG2      VAL   3  -0.823   0.972   1.893
   22   HG23  VAL   3          3HG2      VAL   3  -0.940  -0.776   2.091
   23    H    GLU   4           H        GLU   4  -4.439   2.420   4.061
   24    HA   GLU   4           HA       GLU   4  -4.235   3.778   1.479
   25    HB2  GLU   4          2HB       GLU   4  -6.183   4.345   3.729
   26    HB3  GLU   4          1HB       GLU   4  -6.146   5.141   2.173
   27    HG2  GLU   4          2HG       GLU   4  -7.956   3.636   2.094
   28    HG3  GLU   4          1HG       GLU   4  -6.676   2.885   1.150
   29    H    CYS   5           H        CYS   5  -2.669   5.180   1.448
   30    HA   CYS   5           HA       CYS   5  -2.190   6.753   3.875
   31    HB2  CYS   5          2HB       CYS   5  -0.355   5.133   3.430
   32    HB3  CYS   5          1HB       CYS   5  -0.126   5.860   1.846
   33    H    DAL   6           H        DAL   6  -2.930   8.699   3.480
   34    HA   DAL   6           HA       DAL   6  -1.787  10.442   1.708
   35    HB1  DAL   6          1HB       DAL   6  -4.549  10.797   2.845
   36    HB2  DAL   6          2HB       DAL   6  -3.465  12.059   2.267
   37    HB3  DAL   6          3HB       DAL   6  -3.044  11.127   3.700
   38    HA   DPR   7           HA       DPR   7  -5.089  10.049  -1.646
   39    HB2  DPR   7          1HB       DPR   7  -7.137   8.349  -1.543
   40    HB3  DPR   7          2HB       DPR   7  -7.166   9.861  -0.628
   41    HG2  DPR   7          1HG       DPR   7  -6.612   7.077   0.309
   42    HG3  DPR   7          2HG       DPR   7  -7.535   8.365   1.103
   43    HD2  DPR   7          1HD       DPR   7  -4.891   7.700   1.660
   44    HD3  DPR   7          2HD       DPR   7  -5.675   9.233   2.079
   45    H    VAL   8           H        VAL   8  -3.072   7.807  -0.652
   46    HA   VAL   8           HA       VAL   8  -3.252   6.287  -3.139
   47    HB   VAL   8           HB       VAL   8  -0.963   6.435  -1.150
   48   HG11  VAL   8          1HG1      VAL   8  -0.924   4.407  -2.489
   49   HG12  VAL   8          2HG1      VAL   8   0.397   5.480  -2.947
   50   HG13  VAL   8          3HG1      VAL   8  -1.036   5.362  -3.967
   51   HG21  VAL   8          1HG2      VAL   8  -1.345   8.621  -2.147
   52   HG22  VAL   8          2HG2      VAL   8  -1.308   7.908  -3.759
   53   HG23  VAL   8          3HG2      VAL   8   0.149   7.917  -2.766
   54    H    LYS   9           H        LYS   9  -4.391   4.492  -2.909
   55    HA   LYS   9           HA       LYS   9  -4.156   2.985  -0.427
   56    HB2  LYS   9          2HB       LYS   9  -6.181   1.748  -1.284
   57    HB3  LYS   9          1HB       LYS   9  -6.444   3.436  -0.882
   58    HG2  LYS   9          2HG       LYS   9  -6.406   4.047  -3.230
   59    HG3  LYS   9          1HG       LYS   9  -6.030   2.385  -3.678
   60    HD2  LYS   9          2HD       LYS   9  -8.522   3.210  -2.202
   61    HD3  LYS   9          1HD       LYS   9  -8.445   3.032  -3.954
   62    HE2  LYS   9          2HE       LYS   9  -7.825   0.686  -3.687
   63    HE3  LYS   9          1HE       LYS   9  -7.858   0.858  -1.942
   64    HZ1  LYS   9          1HZ       LYS   9 -10.227   1.308  -2.050
   65    HZ2  LYS   9          2HZ       LYS   9  -9.877  -0.149  -2.791
   66    HZ3  LYS   9          3HZ       LYS   9 -10.206   1.195  -3.737
   67    H    VAL  10           H        VAL  10  -2.690   1.507  -0.463
   68    HA   VAL  10           HA       VAL  10  -2.014   0.245  -3.022
   69    HB   VAL  10           HB       VAL  10  -0.436   0.288  -0.435
   70   HG11  VAL  10          1HG1      VAL  10  -0.074  -1.720  -1.826
   71   HG12  VAL  10          2HG1      VAL  10   1.351  -0.712  -1.663
   72   HG13  VAL  10          3HG1      VAL  10   0.419  -0.676  -3.167
   73   HG21  VAL  10          1HG2      VAL  10  -0.013   1.799  -3.011
   74   HG22  VAL  10          2HG2      VAL  10   1.105   1.766  -1.652
   75   HG23  VAL  10          3HG2      VAL  10  -0.497   2.486  -1.458
   76    H    CYS  11           H        CYS  11  -2.679  -1.743  -3.349
   77    HA   CYS  11           HA       CYS  11  -3.251  -3.413  -1.028
   78    HB2  CYS  11          2HB       CYS  11  -4.696  -3.303  -3.671
   79    HB3  CYS  11          1HB       CYS  11  -4.974  -4.519  -2.430
   80    H    ARG  12           H        ARG  12  -1.790  -4.896  -0.869
   81    HA   ARG  12           HA       ARG  12  -0.993  -6.409  -3.242
   82    HB2  ARG  12          2HB       ARG  12   0.891  -5.521  -1.023
   83    HB3  ARG  12          1HB       ARG  12   1.304  -6.608  -2.324
   84    HG2  ARG  12          2HG       ARG  12   0.606  -3.690  -2.619
   85    HG3  ARG  12          1HG       ARG  12   2.228  -4.376  -2.660
   86    HD2  ARG  12          2HD       ARG  12  -0.007  -4.883  -4.618
   87    HD3  ARG  12          1HD       ARG  12   1.436  -3.920  -4.906
   88    HE   ARG  12           HE       ARG  12   1.530  -6.824  -4.389
   89   HH11  ARG  12          1HH1      ARG  12   2.883  -4.003  -6.035
   90   HH12  ARG  12          2HH1      ARG  12   3.599  -4.897  -7.287
   91   HH21  ARG  12          1HH2      ARG  12   2.554  -8.068  -6.082
   92   HH22  ARG  12          2HH2      ARG  12   3.441  -7.277  -7.299
   93    HA   PRO  13           HA       PRO  13  -2.199  -9.727  -0.501
   94    HB2  PRO  13          2HB       PRO  13  -0.585 -11.730  -1.491
   95    HB3  PRO  13          1HB       PRO  13  -2.107 -11.235  -2.236
   96    HG2  PRO  13          2HG       PRO  13   0.690 -10.479  -2.960
   97    HG3  PRO  13          1HG       PRO  13  -0.672 -10.874  -4.021
   98    HD2  PRO  13          2HD       PRO  13   0.088  -8.330  -3.596
   99    HD3  PRO  13          1HD       PRO  13  -1.617  -8.768  -3.799
  100    H    ASP  14           H        ASP  14   0.992  -8.627  -0.858
  101    HA   ASP  14           HA       ASP  14   1.886  -9.916   1.619
  102    HB2  ASP  14          2HB       ASP  14   3.425  -8.509  -0.556
  103    HB3  ASP  14          1HB       ASP  14   4.152  -9.088   0.936
  104    HA   PRO  15           HA       PRO  15   1.048  -5.897   3.458
  105    HB2  PRO  15          2HB       PRO  15   2.420  -6.347   5.799
  106    HB3  PRO  15          1HB       PRO  15   0.786  -6.950   5.490
  107    HG2  PRO  15          2HG       PRO  15   3.403  -8.369   5.206
  108    HG3  PRO  15          1HG       PRO  15   1.901  -8.944   5.950
  109    HD2  PRO  15          2HD       PRO  15   2.595  -9.691   3.497
  110    HD3  PRO  15          1HD       PRO  15   0.895  -9.340   3.879
  111    H    GLU  16           H        GLU  16   4.180  -7.375   3.282
  112    HA   GLU  16           HA       GLU  16   5.779  -5.168   3.922
  113    HB2  GLU  16          2HB       GLU  16   6.437  -7.552   2.196
  114    HB3  GLU  16          1HB       GLU  16   7.614  -6.419   2.840
  115    HG2  GLU  16          2HG       GLU  16   5.835  -8.244   4.442
  116    HG3  GLU  16          1HG       GLU  16   7.565  -8.438   4.163
  117    H    GLU  17           H        GLU  17   4.817  -6.513   0.806
  118    HA   GLU  17           HA       GLU  17   6.123  -4.639  -0.838
  119    HB2  GLU  17          2HB       GLU  17   3.605  -6.191  -1.457
  120    HB3  GLU  17          1HB       GLU  17   4.740  -5.519  -2.616
  121    HG2  GLU  17          2HG       GLU  17   5.331  -7.744  -0.672
  122    HG3  GLU  17          1HG       GLU  17   4.977  -7.946  -2.386
  123    H    ALA  18           H        ALA  18   2.929  -4.802   0.604
  124    HA   ALA  18           HA       ALA  18   1.774  -2.612  -0.691
  125    HB1  ALA  18          1HB       ALA  18   0.447  -4.269   0.527
  126    HB2  ALA  18          2HB       ALA  18   0.115  -2.641   1.117
  127    HB3  ALA  18          3HB       ALA  18   1.155  -3.723   2.044
  128    H    ARG  19           H        ARG  19   3.480  -2.836   2.426
  129    HA   ARG  19           HA       ARG  19   3.154  -0.136   3.126
  130    HB2  ARG  19          2HB       ARG  19   3.841  -1.893   4.753
  131    HB3  ARG  19          1HB       ARG  19   5.386  -1.994   3.913
  132    HG2  ARG  19          2HG       ARG  19   5.984   0.224   4.559
  133    HG3  ARG  19          1HG       ARG  19   4.388   0.513   5.242
  134    HD2  ARG  19          2HD       ARG  19   6.325  -1.575   6.237
  135    HD3  ARG  19          1HD       ARG  19   6.151   0.031   6.930
  136    HE   ARG  19           HE       ARG  19   3.648  -1.227   6.850
  137   HH11  ARG  19          1HH1      ARG  19   6.733  -1.488   8.579
  138   HH12  ARG  19          2HH1      ARG  19   6.076  -2.095  10.010
  139   HH21  ARG  19          1HH2      ARG  19   2.708  -2.086   8.834
  140   HH22  ARG  19          2HH2      ARG  19   3.724  -2.468  10.148
  141    H    ARG  20           H        ARG  20   5.662  -1.848   1.353
  142    HA   ARG  20           HA       ARG  20   7.582   0.122   1.081
  143    HB2  ARG  20          2HB       ARG  20   7.914  -2.176   0.313
  144    HB3  ARG  20          1HB       ARG  20   6.741  -1.927  -0.970
  145    HG2  ARG  20          2HG       ARG  20   8.279  -0.067  -1.800
  146    HG3  ARG  20          1HG       ARG  20   9.489  -0.742  -0.707
  147    HD2  ARG  20          2HD       ARG  20   9.765  -1.661  -2.933
  148    HD3  ARG  20          1HD       ARG  20   9.240  -2.921  -1.812
  149    HE   ARG  20           HE       ARG  20   7.286  -1.503  -3.470
  150   HH11  ARG  20          1HH1      ARG  20   8.995  -4.485  -2.731
  151   HH12  ARG  20          2HH1      ARG  20   7.866  -5.535  -3.430
  152   HH21  ARG  20          1HH2      ARG  20   5.675  -2.940  -4.569
  153   HH22  ARG  20          2HH2      ARG  20   5.966  -4.607  -4.582
  154    H    GLU  21           H        GLU  21   4.958  -0.666  -1.216
  155    HA   GLU  21           HA       GLU  21   5.430   1.543  -2.910
  156    HB2  GLU  21          2HB       GLU  21   2.983  -0.169  -2.567
  157    HB3  GLU  21          1HB       GLU  21   3.136   1.065  -3.805
  158    HG2  GLU  21          2HG       GLU  21   5.086  -0.180  -4.703
  159    HG3  GLU  21          1HG       GLU  21   4.773  -1.442  -3.511
  160    H    ALA  22           H        ALA  22   3.406   1.087  -0.099
  161    HA   ALA  22           HA       ALA  22   1.751   3.303  -0.339
  162    HB1  ALA  22          1HB       ALA  22   1.373   3.117   2.048
  163    HB2  ALA  22          2HB       ALA  22   2.799   2.092   2.211
  164    HB3  ALA  22          3HB       ALA  22   1.399   1.515   1.308
  165    H    GLU  23           H        GLU  23   4.737   3.074   1.607
  166    HA   GLU  23           HA       GLU  23   4.605   5.896   2.015
  167    HB2  GLU  23          2HB       GLU  23   6.777   5.657   3.184
  168    HB3  GLU  23          1HB       GLU  23   5.529   4.585   3.788
  169    HG2  GLU  23          2HG       GLU  23   6.514   2.755   2.473
  170    HG3  GLU  23          1HG       GLU  23   7.799   3.853   1.967
  171    H    GLU  24           H        GLU  24   5.835   4.046  -0.489
  172    HA   GLU  24           HA       GLU  24   7.917   5.799  -1.362
  173    HB2  GLU  24          2HB       GLU  24   7.746   3.413  -2.029
  174    HB3  GLU  24          1HB       GLU  24   6.288   3.796  -2.922
  175    HG2  GLU  24          2HG       GLU  24   7.606   5.332  -4.331
  176    HG3  GLU  24          1HG       GLU  24   9.061   4.794  -3.490
  177    H    ARG  25           H        ARG  25   4.521   5.302  -2.230
  178    HA   ARG  25           HA       ARG  25   4.670   7.639  -3.950
  179    HB2  ARG  25          2HB       ARG  25   2.668   5.413  -3.784
  180    HB3  ARG  25          1HB       ARG  25   2.362   6.872  -4.721
  181    HG2  ARG  25          2HG       ARG  25   4.375   6.450  -6.043
  182    HG3  ARG  25          1HG       ARG  25   4.693   5.000  -5.095
  183    HD2  ARG  25          2HD       ARG  25   2.168   5.423  -6.665
  184    HD3  ARG  25          1HD       ARG  25   3.603   4.669  -7.347
  185    HE   ARG  25           HE       ARG  25   3.394   2.964  -5.641
  186   HH11  ARG  25          1HH1      ARG  25   0.472   4.896  -6.302
  187   HH12  ARG  25          2HH1      ARG  25  -0.593   3.608  -5.962
  188   HH21  ARG  25          1HH2      ARG  25   1.835   1.151  -5.263
  189   HH22  ARG  25          2HH2      ARG  25   0.179   1.509  -5.359
  190    H    CYS  26           H        CYS  26   3.604   6.848  -0.886
  191    HA   CYS  26           HA       CYS  26   1.863   9.180  -0.782
  192    HB2  CYS  26          2HB       CYS  26   0.955   7.204   0.289
  193    HB3  CYS  26          1HB       CYS  26   2.420   6.986   1.213
  194    HN1  NH2  27           HN1      NH2  27   4.138   7.939   1.646
  195    HN2  NH2  27           HN2      NH2  27   5.008   9.414   1.823
  Start of MODEL   10
    1    H1   THR   1          1HT       THR   1  -2.053  -6.954   1.559
    2    H2   THR   1          2HT       THR   1  -2.737  -8.000   2.715
    3    H3   THR   1          3HT       THR   1  -2.487  -6.369   3.092
    4    HA   THR   1           HA       THR   1  -4.289  -7.389   1.052
    5    HB   THR   1           HB       THR   1  -6.007  -6.293   2.621
    6    HG1  THR   1          1HG       THR   1  -5.307  -6.279   4.838
    7   HG21  THR   1          1HG2      THR   1  -5.776  -8.762   2.323
    8   HG22  THR   1          2HG2      THR   1  -6.275  -8.315   3.945
    9   HG23  THR   1          3HG2      THR   1  -4.603  -8.778   3.643
   10    H    CYS   2           H        CYS   2  -4.707  -4.459   2.962
   11    HA   CYS   2           HA       CYS   2  -3.828  -2.833   0.726
   12    HB2  CYS   2          2HB       CYS   2  -6.640  -2.732   1.832
   13    HB3  CYS   2          1HB       CYS   2  -5.944  -1.542   0.746
   14    H    VAL   3           H        VAL   3  -3.163  -0.844   1.276
   15    HA   VAL   3           HA       VAL   3  -3.678   0.108   3.970
   16    HB   VAL   3           HB       VAL   3  -1.399   1.107   4.080
   17   HG11  VAL   3          1HG1      VAL   3  -1.338  -1.868   3.682
   18   HG12  VAL   3          2HG1      VAL   3  -1.739  -1.011   5.171
   19   HG13  VAL   3          3HG1      VAL   3  -0.105  -0.918   4.512
   20   HG21  VAL   3          1HG2      VAL   3   0.371   0.330   2.537
   21   HG22  VAL   3          2HG2      VAL   3  -0.864   1.310   1.757
   22   HG23  VAL   3          3HG2      VAL   3  -0.873  -0.446   1.548
   23    H    GLU   4           H        GLU   4  -4.081   2.265   4.060
   24    HA   GLU   4           HA       GLU   4  -4.338   3.561   1.457
   25    HB2  GLU   4          2HB       GLU   4  -6.011   3.760   3.942
   26    HB3  GLU   4          1HB       GLU   4  -6.158   4.887   2.599
   27    HG2  GLU   4          2HG       GLU   4  -6.817   3.140   1.119
   28    HG3  GLU   4          1HG       GLU   4  -6.463   1.913   2.331
   29    H    CYS   5           H        CYS   5  -2.774   4.895   1.205
   30    HA   CYS   5           HA       CYS   5  -1.751   6.324   3.551
   31    HB2  CYS   5          2HB       CYS   5  -0.137   4.814   2.427
   32    HB3  CYS   5          1HB       CYS   5  -0.357   5.721   0.937
   33    H    DAL   6           H        DAL   6  -2.745   8.213   3.607
   34    HA   DAL   6           HA       DAL   6  -2.214  10.242   1.819
   35    HB1  DAL   6          1HB       DAL   6  -3.815  11.600   3.001
   36    HB2  DAL   6          2HB       DAL   6  -2.909  10.611   4.145
   37    HB3  DAL   6          3HB       DAL   6  -4.559  10.167   3.711
   38    HA   DPR   7           HA       DPR   7  -6.305   9.686  -0.526
   39    HB2  DPR   7          1HB       DPR   7  -7.974   7.649  -0.107
   40    HB3  DPR   7          2HB       DPR   7  -7.975   9.052   0.971
   41    HG2  DPR   7          1HG       DPR   7  -6.676   6.380   1.326
   42    HG3  DPR   7          2HG       DPR   7  -7.653   7.297   2.491
   43    HD2  DPR   7          1HD       DPR   7  -4.911   7.285   2.488
   44    HD3  DPR   7          2HD       DPR   7  -5.885   8.646   3.078
   45    H    VAL   8           H        VAL   8  -3.735   7.823  -0.447
   46    HA   VAL   8           HA       VAL   8  -4.287   6.647  -3.003
   47    HB   VAL   8           HB       VAL   8  -1.761   6.441  -1.319
   48   HG11  VAL   8          1HG1      VAL   8  -0.647   5.816  -3.415
   49   HG12  VAL   8          2HG1      VAL   8  -2.199   5.865  -4.251
   50   HG13  VAL   8          3HG1      VAL   8  -1.916   4.664  -2.992
   51   HG21  VAL   8          1HG2      VAL   8  -0.852   8.187  -2.785
   52   HG22  VAL   8          2HG2      VAL   8  -2.261   8.762  -1.893
   53   HG23  VAL   8          3HG2      VAL   8  -2.413   8.320  -3.593
   54    H    LYS   9           H        LYS   9  -5.110   4.795  -3.269
   55    HA   LYS   9           HA       LYS   9  -5.523   2.917  -1.106
   56    HB2  LYS   9          2HB       LYS   9  -7.229   3.653  -2.869
   57    HB3  LYS   9          1HB       LYS   9  -6.314   2.692  -4.010
   58    HG2  LYS   9          2HG       LYS   9  -8.216   1.435  -3.302
   59    HG3  LYS   9          1HG       LYS   9  -6.780   0.690  -2.594
   60    HD2  LYS   9          2HD       LYS   9  -7.242   1.554  -0.466
   61    HD3  LYS   9          1HD       LYS   9  -8.390   2.736  -1.095
   62    HE2  LYS   9          2HE       LYS   9  -9.598   0.990   0.003
   63    HE3  LYS   9          1HE       LYS   9  -9.886   0.872  -1.724
   64    HZ1  LYS   9          1HZ       LYS   9  -8.065  -0.834  -0.119
   65    HZ2  LYS   9          2HZ       LYS   9  -8.280  -0.972  -1.803
   66    HZ3  LYS   9          3HZ       LYS   9  -9.554  -1.264  -0.759
   67    H    VAL  10           H        VAL  10  -3.630   1.772  -0.722
   68    HA   VAL  10           HA       VAL  10  -2.240   0.679  -3.051
   69    HB   VAL  10           HB       VAL  10  -1.282   0.999  -0.204
   70   HG11  VAL  10          1HG1      VAL  10   0.210   0.098  -2.662
   71   HG12  VAL  10          2HG1      VAL  10  -0.253  -0.910  -1.290
   72   HG13  VAL  10          3HG1      VAL  10   0.920   0.388  -1.072
   73   HG21  VAL  10          1HG2      VAL  10  -1.496   3.145  -1.325
   74   HG22  VAL  10          2HG2      VAL  10  -0.541   2.550  -2.684
   75   HG23  VAL  10          3HG2      VAL  10   0.201   2.733  -1.094
   76    H    CYS  11           H        CYS  11  -2.924  -1.323  -3.486
   77    HA   CYS  11           HA       CYS  11  -3.336  -3.098  -1.214
   78    HB2  CYS  11          2HB       CYS  11  -4.732  -3.131  -3.895
   79    HB3  CYS  11          1HB       CYS  11  -4.882  -4.405  -2.685
   80    H    ARG  12           H        ARG  12  -2.400  -5.028  -1.172
   81    HA   ARG  12           HA       ARG  12  -0.869  -6.175  -3.293
   82    HB2  ARG  12          2HB       ARG  12   0.493  -4.139  -2.426
   83    HB3  ARG  12          1HB       ARG  12   0.616  -5.040  -0.926
   84    HG2  ARG  12          2HG       ARG  12   2.619  -5.338  -2.112
   85    HG3  ARG  12          1HG       ARG  12   1.732  -6.865  -2.193
   86    HD2  ARG  12          2HD       ARG  12   0.971  -6.302  -4.436
   87    HD3  ARG  12          1HD       ARG  12   1.783  -4.742  -4.315
   88    HE   ARG  12           HE       ARG  12   3.478  -7.046  -3.957
   89   HH11  ARG  12          1HH1      ARG  12   2.271  -4.549  -6.191
   90   HH12  ARG  12          2HH1      ARG  12   3.455  -4.867  -7.383
   91   HH21  ARG  12          1HH2      ARG  12   5.092  -7.433  -5.589
   92   HH22  ARG  12          2HH2      ARG  12   5.100  -6.532  -7.024
   93    HA   PRO  13           HA       PRO  13  -1.950  -9.541  -0.451
   94    HB2  PRO  13          2HB       PRO  13   0.577 -10.789  -1.420
   95    HB3  PRO  13          1HB       PRO  13  -1.051 -11.464  -1.359
   96    HG2  PRO  13          2HG       PRO  13  -0.005 -10.663  -3.670
   97    HG3  PRO  13          1HG       PRO  13  -1.720 -10.409  -3.301
   98    HD2  PRO  13          2HD       PRO  13   0.530  -8.449  -3.308
   99    HD3  PRO  13          1HD       PRO  13  -1.172  -8.224  -3.760
  100    H    ASP  14           H        ASP  14   1.574  -9.060  -0.645
  101    HA   ASP  14           HA       ASP  14   1.867  -9.542   2.170
  102    HB2  ASP  14          2HB       ASP  14   3.812  -8.623   0.069
  103    HB3  ASP  14          1HB       ASP  14   4.243  -8.588   1.770
  104    HA   PRO  15           HA       PRO  15   0.849  -5.408   3.334
  105    HB2  PRO  15          2HB       PRO  15   1.705  -5.547   5.910
  106    HB3  PRO  15          1HB       PRO  15   0.172  -6.245   5.379
  107    HG2  PRO  15          2HG       PRO  15   2.817  -7.581   5.790
  108    HG3  PRO  15          1HG       PRO  15   1.210  -8.132   6.293
  109    HD2  PRO  15          2HD       PRO  15   2.406  -9.111   4.109
  110    HD3  PRO  15          1HD       PRO  15   0.651  -8.835   4.141
  111    H    GLU  16           H        GLU  16   3.970  -6.898   3.787
  112    HA   GLU  16           HA       GLU  16   5.335  -4.472   4.311
  113    HB2  GLU  16          2HB       GLU  16   6.406  -7.144   3.421
  114    HB3  GLU  16          1HB       GLU  16   7.397  -5.792   3.969
  115    HG2  GLU  16          2HG       GLU  16   5.339  -7.283   5.583
  116    HG3  GLU  16          1HG       GLU  16   7.092  -7.372   5.768
  117    H    GLU  17           H        GLU  17   4.681  -6.337   1.408
  118    HA   GLU  17           HA       GLU  17   6.189  -4.595  -0.261
  119    HB2  GLU  17          2HB       GLU  17   3.920  -6.459  -0.964
  120    HB3  GLU  17          1HB       GLU  17   4.883  -5.595  -2.148
  121    HG2  GLU  17          2HG       GLU  17   6.868  -6.802  -1.200
  122    HG3  GLU  17          1HG       GLU  17   5.724  -7.810  -0.316
  123    H    ALA  18           H        ALA  18   2.913  -4.696   0.926
  124    HA   ALA  18           HA       ALA  18   1.818  -2.619  -0.611
  125    HB1  ALA  18          1HB       ALA  18   0.115  -2.433   1.124
  126    HB2  ALA  18          2HB       ALA  18   1.128  -3.339   2.240
  127    HB3  ALA  18          3HB       ALA  18   0.454  -4.140   0.827
  128    H    ARG  19           H        ARG  19   3.278  -2.550   2.650
  129    HA   ARG  19           HA       ARG  19   3.202   0.232   2.937
  130    HB2  ARG  19          2HB       ARG  19   5.191  -1.687   4.174
  131    HB3  ARG  19          1HB       ARG  19   4.974  -0.016   4.654
  132    HG2  ARG  19          2HG       ARG  19   2.570  -0.649   5.191
  133    HG3  ARG  19          1HG       ARG  19   3.097  -2.324   5.022
  134    HD2  ARG  19          2HD       ARG  19   4.260  -0.279   6.902
  135    HD3  ARG  19          1HD       ARG  19   3.164  -1.577   7.364
  136    HE   ARG  19           HE       ARG  19   5.057  -3.098   6.540
  137   HH11  ARG  19          1HH1      ARG  19   5.617   0.055   8.051
  138   HH12  ARG  19          2HH1      ARG  19   7.124  -0.342   8.700
  139   HH21  ARG  19          1HH2      ARG  19   7.122  -3.678   7.439
  140   HH22  ARG  19          2HH2      ARG  19   8.020  -2.545   8.340
  141    H    ARG  20           H        ARG  20   5.583  -1.876   1.485
  142    HA   ARG  20           HA       ARG  20   7.704  -0.123   1.156
  143    HB2  ARG  20          2HB       ARG  20   7.766  -2.551   0.616
  144    HB3  ARG  20          1HB       ARG  20   6.834  -2.220  -0.834
  145    HG2  ARG  20          2HG       ARG  20   8.652  -0.803  -1.677
  146    HG3  ARG  20          1HG       ARG  20   9.592  -1.164  -0.229
  147    HD2  ARG  20          2HD       ARG  20   9.408  -3.596  -0.842
  148    HD3  ARG  20          1HD       ARG  20   8.699  -3.085  -2.367
  149    HE   ARG  20           HE       ARG  20  10.881  -1.722  -2.533
  150   HH11  ARG  20          1HH1      ARG  20  10.619  -5.008  -1.188
  151   HH12  ARG  20          2HH1      ARG  20  12.202  -5.448  -1.625
  152   HH21  ARG  20          1HH2      ARG  20  13.036  -2.328  -3.081
  153   HH22  ARG  20          2HH2      ARG  20  13.618  -3.904  -2.711
  154    H    GLU  21           H        GLU  21   5.010  -0.707  -1.108
  155    HA   GLU  21           HA       GLU  21   5.961   1.450  -2.721
  156    HB2  GLU  21          2HB       GLU  21   3.999   1.017  -4.174
  157    HB3  GLU  21          1HB       GLU  21   5.072  -0.354  -3.952
  158    HG2  GLU  21          2HG       GLU  21   3.497  -1.343  -2.399
  159    HG3  GLU  21          1HG       GLU  21   2.444   0.065  -2.567
  160    H    ALA  22           H        ALA  22   3.559   1.085  -0.252
  161    HA   ALA  22           HA       ALA  22   2.123   3.457  -0.744
  162    HB1  ALA  22          1HB       ALA  22   1.477   3.361   1.616
  163    HB2  ALA  22          2HB       ALA  22   2.745   2.176   1.923
  164    HB3  ALA  22          3HB       ALA  22   1.381   1.758   0.885
  165    H    GLU  23           H        GLU  23   4.949   2.812   1.272
  166    HA   GLU  23           HA       GLU  23   5.394   5.480   2.026
  167    HB2  GLU  23          2HB       GLU  23   7.256   3.123   1.850
  168    HB3  GLU  23          1HB       GLU  23   7.699   4.665   2.561
  169    HG2  GLU  23          2HG       GLU  23   5.583   2.773   3.516
  170    HG3  GLU  23          1HG       GLU  23   7.152   3.095   4.255
  171    H    GLU  24           H        GLU  24   6.356   3.607  -0.755
  172    HA   GLU  24           HA       GLU  24   8.280   5.445  -1.755
  173    HB2  GLU  24          2HB       GLU  24   8.085   3.071  -2.517
  174    HB3  GLU  24          1HB       GLU  24   6.579   3.487  -3.319
  175    HG2  GLU  24          2HG       GLU  24   8.357   3.394  -4.937
  176    HG3  GLU  24          1HG       GLU  24   7.805   5.057  -4.763
  177    H    ARG  25           H        ARG  25   4.832   4.965  -2.394
  178    HA   ARG  25           HA       ARG  25   4.616   7.145  -4.211
  179    HB2  ARG  25          2HB       ARG  25   2.514   5.601  -2.696
  180    HB3  ARG  25          1HB       ARG  25   2.131   6.876  -3.836
  181    HG2  ARG  25          2HG       ARG  25   3.586   4.313  -4.480
  182    HG3  ARG  25          1HG       ARG  25   1.897   4.671  -4.850
  183    HD2  ARG  25          2HD       ARG  25   2.679   6.609  -6.212
  184    HD3  ARG  25          1HD       ARG  25   4.334   6.080  -5.930
  185    HE   ARG  25           HE       ARG  25   2.997   3.913  -6.965
  186   HH11  ARG  25          1HH1      ARG  25   3.955   7.163  -8.006
  187   HH12  ARG  25          2HH1      ARG  25   3.881   6.826  -9.660
  188   HH21  ARG  25          1HH2      ARG  25   2.965   3.415  -9.268
  189   HH22  ARG  25          2HH2      ARG  25   3.334   4.633 -10.403
  190    H    CYS  26           H        CYS  26   4.283   6.873  -0.763
  191    HA   CYS  26           HA       CYS  26   3.364   9.612  -0.614
  192    HB2  CYS  26          2HB       CYS  26   3.793   7.501   1.491
  193    HB3  CYS  26          1HB       CYS  26   3.229   9.122   1.864
  194    HN1  NH2  27           HN1      NH2  27   5.581   8.336   1.793
  195    HN2  NH2  27           HN2      NH2  27   6.858   9.434   1.426
  Start of MODEL   11
    1    H1   THR   1          1HT       THR   1  -2.683  -5.835   3.663
    2    H2   THR   1          2HT       THR   1  -3.517  -7.318   3.652
    3    H3   THR   1          3HT       THR   1  -4.374  -5.875   3.602
    4    HA   THR   1           HA       THR   1  -2.525  -6.864   1.544
    5    HB   THR   1           HB       THR   1  -5.553  -6.702   1.434
    6    HG1  THR   1          1HG       THR   1  -4.097  -9.123   1.669
    7   HG21  THR   1          1HG2      THR   1  -5.265  -8.197  -0.500
    8   HG22  THR   1          2HG2      THR   1  -3.516  -8.148  -0.278
    9   HG23  THR   1          3HG2      THR   1  -4.386  -6.686  -0.737
   10    H    CYS   2           H        CYS   2  -5.260  -4.564   2.177
   11    HA   CYS   2           HA       CYS   2  -3.948  -2.748   0.315
   12    HB2  CYS   2          2HB       CYS   2  -6.814  -2.822   1.256
   13    HB3  CYS   2          1HB       CYS   2  -6.139  -1.627   0.158
   14    H    VAL   3           H        VAL   3  -2.750  -1.350   1.268
   15    HA   VAL   3           HA       VAL   3  -3.516  -0.287   3.880
   16    HB   VAL   3           HB       VAL   3  -1.284   0.767   3.938
   17   HG11  VAL   3          1HG1      VAL   3   0.102  -1.239   4.105
   18   HG12  VAL   3          2HG1      VAL   3  -1.136  -2.155   3.248
   19   HG13  VAL   3          3HG1      VAL   3  -1.487  -1.474   4.835
   20   HG21  VAL   3          1HG2      VAL   3  -0.861  -0.536   1.253
   21   HG22  VAL   3          2HG2      VAL   3   0.395   0.250   2.208
   22   HG23  VAL   3          3HG2      VAL   3  -0.958   1.195   1.580
   23    H    GLU   4           H        GLU   4  -3.343   2.127   4.080
   24    HA   GLU   4           HA       GLU   4  -3.974   3.399   1.535
   25    HB2  GLU   4          2HB       GLU   4  -6.007   2.703   2.913
   26    HB3  GLU   4          1HB       GLU   4  -5.502   3.911   4.078
   27    HG2  GLU   4          2HG       GLU   4  -5.885   5.665   2.544
   28    HG3  GLU   4          1HG       GLU   4  -6.117   4.534   1.205
   29    H    CYS   5           H        CYS   5  -2.736   5.092   1.248
   30    HA   CYS   5           HA       CYS   5  -1.661   6.485   3.587
   31    HB2  CYS   5          2HB       CYS   5   0.014   4.863   2.701
   32    HB3  CYS   5          1HB       CYS   5  -0.074   5.662   1.138
   33    H    DAL   6           H        DAL   6  -2.287   8.495   3.435
   34    HA   DAL   6           HA       DAL   6  -1.704  10.184   1.301
   35    HB1  DAL   6          1HB       DAL   6  -2.021  10.969   3.614
   36    HB2  DAL   6          2HB       DAL   6  -3.760  10.735   3.446
   37    HB3  DAL   6          3HB       DAL   6  -2.928  11.918   2.441
   38    HA   DPR   7           HA       DPR   7  -6.238   9.933  -0.299
   39    HB2  DPR   7          1HB       DPR   7  -7.458   7.515   0.772
   40    HB3  DPR   7          2HB       DPR   7  -8.040   9.181   0.848
   41    HG2  DPR   7          1HG       DPR   7  -7.177   7.840   3.030
   42    HG3  DPR   7          2HG       DPR   7  -7.003   9.595   2.850
   43    HD2  DPR   7          1HD       DPR   7  -4.964   7.445   2.405
   44    HD3  DPR   7          2HD       DPR   7  -4.802   9.004   3.231
   45    H    VAL   8           H        VAL   8  -3.869   7.632  -0.263
   46    HA   VAL   8           HA       VAL   8  -4.854   6.489  -2.773
   47    HB   VAL   8           HB       VAL   8  -2.018   6.567  -1.703
   48   HG11  VAL   8          1HG1      VAL   8  -1.364   5.989  -4.002
   49   HG12  VAL   8          2HG1      VAL   8  -3.062   5.896  -4.449
   50   HG13  VAL   8          3HG1      VAL   8  -2.398   4.751  -3.283
   51   HG21  VAL   8          1HG2      VAL   8  -1.601   8.358  -3.308
   52   HG22  VAL   8          2HG2      VAL   8  -2.845   8.825  -2.147
   53   HG23  VAL   8          3HG2      VAL   8  -3.300   8.336  -3.780
   54    H    LYS   9           H        LYS   9  -5.563   4.471  -2.674
   55    HA   LYS   9           HA       LYS   9  -4.828   2.784  -0.421
   56    HB2  LYS   9          2HB       LYS   9  -6.710   2.205  -2.719
   57    HB3  LYS   9          1HB       LYS   9  -6.525   1.253  -1.257
   58    HG2  LYS   9          2HG       LYS   9  -7.408   3.131   0.065
   59    HG3  LYS   9          1HG       LYS   9  -7.616   4.065  -1.418
   60    HD2  LYS   9          2HD       LYS   9  -9.742   3.127  -0.899
   61    HD3  LYS   9          1HD       LYS   9  -9.093   2.198  -2.249
   62    HE2  LYS   9          2HE       LYS   9 -10.037   0.641  -0.717
   63    HE3  LYS   9          1HE       LYS   9  -8.291   0.500  -0.563
   64    HZ1  LYS   9          1HZ       LYS   9  -9.111   0.567   1.635
   65    HZ2  LYS   9          2HZ       LYS   9 -10.228   1.733   1.238
   66    HZ3  LYS   9          3HZ       LYS   9  -8.650   2.198   1.402
   67    H    VAL  10           H        VAL  10  -3.362   1.234  -0.580
   68    HA   VAL  10           HA       VAL  10  -2.343   0.523  -3.244
   69    HB   VAL  10           HB       VAL  10  -0.818   0.709  -0.623
   70   HG11  VAL  10          1HG1      VAL  10   0.007  -1.131  -1.980
   71   HG12  VAL  10          2HG1      VAL  10   1.168   0.198  -1.931
   72   HG13  VAL  10          3HG1      VAL  10   0.169  -0.047  -3.365
   73   HG21  VAL  10          1HG2      VAL  10   0.443   2.503  -1.728
   74   HG22  VAL  10          2HG2      VAL  10  -1.268   2.901  -1.575
   75   HG23  VAL  10          3HG2      VAL  10  -0.620   2.378  -3.129
   76    H    CYS  11           H        CYS  11  -2.709  -1.542  -3.725
   77    HA   CYS  11           HA       CYS  11  -3.219  -3.389  -1.505
   78    HB2  CYS  11          2HB       CYS  11  -4.417  -3.386  -4.277
   79    HB3  CYS  11          1HB       CYS  11  -4.678  -4.641  -3.072
   80    H    ARG  12           H        ARG  12  -1.627  -4.725  -1.216
   81    HA   ARG  12           HA       ARG  12  -0.423  -6.048  -3.522
   82    HB2  ARG  12          2HB       ARG  12   1.078  -4.908  -1.137
   83    HB3  ARG  12          1HB       ARG  12   1.792  -5.978  -2.321
   84    HG2  ARG  12          2HG       ARG  12   0.740  -3.195  -2.846
   85    HG3  ARG  12          1HG       ARG  12   2.436  -3.661  -2.719
   86    HD2  ARG  12          2HD       ARG  12   2.088  -5.182  -4.667
   87    HD3  ARG  12          1HD       ARG  12   0.456  -4.533  -4.816
   88    HE   ARG  12           HE       ARG  12   2.179  -2.374  -4.827
   89   HH11  ARG  12          1HH1      ARG  12   1.291  -5.064  -6.895
   90   HH12  ARG  12          2HH1      ARG  12   2.017  -4.441  -8.289
   91   HH21  ARG  12          1HH2      ARG  12   3.250  -1.492  -6.741
   92   HH22  ARG  12          2HH2      ARG  12   3.114  -2.325  -8.216
   93    HA   PRO  13           HA       PRO  13  -1.394  -9.738  -1.334
   94    HB2  PRO  13          2HB       PRO  13   1.409 -10.699  -1.535
   95    HB3  PRO  13          1HB       PRO  13  -0.080 -11.456  -2.095
   96    HG2  PRO  13          2HG       PRO  13   1.586 -10.333  -3.834
   97    HG3  PRO  13          1HG       PRO  13  -0.169 -10.197  -4.031
   98    HD2  PRO  13          2HD       PRO  13   1.784  -8.172  -3.017
   99    HD3  PRO  13          1HD       PRO  13   0.375  -7.948  -4.074
  100    H    ASP  14           H        ASP  14   1.931  -8.905  -0.327
  101    HA   ASP  14           HA       ASP  14   1.126  -9.492   2.416
  102    HB2  ASP  14          2HB       ASP  14   3.869  -9.051   1.222
  103    HB3  ASP  14          1HB       ASP  14   3.587  -9.144   2.951
  104    HA   PRO  15           HA       PRO  15   0.618  -5.314   3.599
  105    HB2  PRO  15          2HB       PRO  15   1.629  -5.403   6.158
  106    HB3  PRO  15          1HB       PRO  15   0.033  -6.014   5.720
  107    HG2  PRO  15          2HG       PRO  15   2.601  -7.520   6.032
  108    HG3  PRO  15          1HG       PRO  15   0.987  -7.931   6.640
  109    HD2  PRO  15          2HD       PRO  15   1.943  -9.093   4.454
  110    HD3  PRO  15          1HD       PRO  15   0.238  -8.606   4.539
  111    H    GLU  16           H        GLU  16   3.718  -6.859   4.008
  112    HA   GLU  16           HA       GLU  16   5.307  -4.630   4.564
  113    HB2  GLU  16          2HB       GLU  16   5.863  -7.092   4.779
  114    HB3  GLU  16          1HB       GLU  16   6.124  -7.093   3.040
  115    HG2  GLU  16          2HG       GLU  16   8.210  -6.890   4.115
  116    HG3  GLU  16          1HG       GLU  16   7.824  -5.333   3.360
  117    H    GLU  17           H        GLU  17   4.631  -6.318   1.487
  118    HA   GLU  17           HA       GLU  17   6.004  -4.467  -0.151
  119    HB2  GLU  17          2HB       GLU  17   3.905  -6.531  -0.781
  120    HB3  GLU  17          1HB       GLU  17   4.499  -5.437  -2.015
  121    HG2  GLU  17          2HG       GLU  17   5.631  -7.558  -2.158
  122    HG3  GLU  17          1HG       GLU  17   6.760  -6.301  -1.680
  123    H    ALA  18           H        ALA  18   2.736  -4.661   0.985
  124    HA   ALA  18           HA       ALA  18   1.638  -2.643  -0.635
  125    HB1  ALA  18          1HB       ALA  18   0.268  -4.205   0.690
  126    HB2  ALA  18          2HB       ALA  18  -0.158  -2.528   1.016
  127    HB3  ALA  18          3HB       ALA  18   0.829  -3.427   2.171
  128    H    ARG  19           H        ARG  19   3.080  -2.552   2.579
  129    HA   ARG  19           HA       ARG  19   2.917   0.203   3.030
  130    HB2  ARG  19          2HB       ARG  19   3.474  -1.417   4.784
  131    HB3  ARG  19          1HB       ARG  19   4.998  -1.770   3.978
  132    HG2  ARG  19          2HG       ARG  19   5.639   0.602   4.273
  133    HG3  ARG  19          1HG       ARG  19   4.170   0.830   5.218
  134    HD2  ARG  19          2HD       ARG  19   6.068   0.491   6.667
  135    HD3  ARG  19          1HD       ARG  19   4.944  -0.858   6.803
  136    HE   ARG  19           HE       ARG  19   6.493  -2.226   5.661
  137   HH11  ARG  19          1HH1      ARG  19   7.853   1.040   5.793
  138   HH12  ARG  19          2HH1      ARG  19   9.436   0.505   6.106
  139   HH21  ARG  19          1HH2      ARG  19   8.592  -2.925   5.971
  140   HH22  ARG  19          2HH2      ARG  19   9.908  -1.847   6.201
  141    H    ARG  20           H        ARG  20   5.441  -1.791   1.591
  142    HA   ARG  20           HA       ARG  20   7.472   0.037   1.210
  143    HB2  ARG  20          2HB       ARG  20   7.438  -2.472   0.742
  144    HB3  ARG  20          1HB       ARG  20   6.720  -2.072  -0.809
  145    HG2  ARG  20          2HG       ARG  20   9.034  -2.371  -1.185
  146    HG3  ARG  20          1HG       ARG  20   8.740  -0.629  -1.234
  147    HD2  ARG  20          2HD       ARG  20  10.743  -1.134   0.063
  148    HD3  ARG  20          1HD       ARG  20   9.495  -0.431   1.088
  149    HE   ARG  20           HE       ARG  20   9.398  -3.280   1.041
  150   HH11  ARG  20          1HH1      ARG  20  10.990  -0.539   2.592
  151   HH12  ARG  20          2HH1      ARG  20  11.495  -1.406   3.957
  152   HH21  ARG  20          1HH2      ARG  20  10.088  -4.502   2.916
  153   HH22  ARG  20          2HH2      ARG  20  10.974  -3.719   4.141
  154    H    GLU  21           H        GLU  21   4.900  -0.844  -1.043
  155    HA   GLU  21           HA       GLU  21   5.524   1.055  -3.040
  156    HB2  GLU  21          2HB       GLU  21   2.989  -0.446  -2.440
  157    HB3  GLU  21          1HB       GLU  21   3.270   0.486  -3.909
  158    HG2  GLU  21          2HG       GLU  21   4.931  -1.846  -3.009
  159    HG3  GLU  21          1HG       GLU  21   3.603  -1.973  -4.148
  160    H    ALA  22           H        ALA  22   3.374   1.123  -0.244
  161    HA   ALA  22           HA       ALA  22   2.024   3.518  -0.885
  162    HB1  ALA  22          1HB       ALA  22   1.334   3.557   1.445
  163    HB2  ALA  22          2HB       ALA  22   2.547   2.338   1.840
  164    HB3  ALA  22          3HB       ALA  22   1.192   1.926   0.788
  165    H    GLU  23           H        GLU  23   4.890   2.889   1.095
  166    HA   GLU  23           HA       GLU  23   5.246   5.646   1.691
  167    HB2  GLU  23          2HB       GLU  23   7.171   3.342   1.955
  168    HB3  GLU  23          1HB       GLU  23   7.442   4.957   2.599
  169    HG2  GLU  23          2HG       GLU  23   5.386   4.698   3.961
  170    HG3  GLU  23          1HG       GLU  23   5.268   3.037   3.388
  171    H    GLU  24           H        GLU  24   6.119   3.667  -0.939
  172    HA   GLU  24           HA       GLU  24   8.106   5.363  -2.070
  173    HB2  GLU  24          2HB       GLU  24   7.768   3.022  -2.773
  174    HB3  GLU  24          1HB       GLU  24   6.175   3.437  -3.382
  175    HG2  GLU  24          2HG       GLU  24   7.292   5.013  -4.967
  176    HG3  GLU  24          1HG       GLU  24   8.834   4.341  -4.440
  177    H    ARG  25           H        ARG  25   4.641   5.132  -2.155
  178    HA   ARG  25           HA       ARG  25   4.146   7.151  -4.115
  179    HB2  ARG  25          2HB       ARG  25   2.541   5.359  -3.688
  180    HB3  ARG  25          1HB       ARG  25   2.378   5.873  -2.022
  181    HG2  ARG  25          2HG       ARG  25   0.453   6.561  -3.269
  182    HG3  ARG  25          1HG       ARG  25   1.379   7.983  -2.803
  183    HD2  ARG  25          2HD       ARG  25   2.349   8.101  -5.040
  184    HD3  ARG  25          1HD       ARG  25   1.459   6.648  -5.504
  185    HE   ARG  25           HE       ARG  25  -0.444   8.344  -4.607
  186   HH11  ARG  25          1HH1      ARG  25   2.022   8.567  -7.124
  187   HH12  ARG  25          2HH1      ARG  25   1.133   9.637  -8.097
  188   HH21  ARG  25          1HH2      ARG  25  -1.688   9.827  -5.969
  189   HH22  ARG  25          2HH2      ARG  25  -0.998  10.362  -7.420
  190    H    CYS  26           H        CYS  26   4.000   6.992  -0.601
  191    HA   CYS  26           HA       CYS  26   3.528   9.835  -0.390
  192    HB2  CYS  26          2HB       CYS  26   3.880   7.704   1.726
  193    HB3  CYS  26          1HB       CYS  26   3.358   9.355   2.027
  194    HN1  NH2  27           HN1      NH2  27   5.534  10.459  -1.338
  195    HN2  NH2  27           HN2      NH2  27   7.003  10.450  -0.434
  Start of MODEL   12
    1    H1   THR   1          1HT       THR   1  -4.952  -5.749   3.630
    2    H2   THR   1          2HT       THR   1  -3.342  -6.219   3.360
    3    H3   THR   1          3HT       THR   1  -4.532  -7.378   3.557
    4    HA   THR   1           HA       THR   1  -3.894  -7.232   1.303
    5    HB   THR   1           HB       THR   1  -6.668  -6.088   1.668
    6    HG1  THR   1          1HG       THR   1  -5.834  -8.810   1.979
    7   HG21  THR   1          1HG2      THR   1  -5.917  -6.477  -0.647
    8   HG22  THR   1          2HG2      THR   1  -7.199  -7.599  -0.185
    9   HG23  THR   1          3HG2      THR   1  -5.524  -8.148  -0.235
   10    H    CYS   2           H        CYS   2  -5.287  -4.105   2.470
   11    HA   CYS   2           HA       CYS   2  -3.743  -2.807   0.363
   12    HB2  CYS   2          2HB       CYS   2  -6.542  -2.038   1.224
   13    HB3  CYS   2          1HB       CYS   2  -5.581  -1.268  -0.028
   14    H    VAL   3           H        VAL   3  -2.617  -1.111   1.092
   15    HA   VAL   3           HA       VAL   3  -3.251  -0.176   3.792
   16    HB   VAL   3           HB       VAL   3  -0.940   0.688   3.957
   17   HG11  VAL   3          1HG1      VAL   3   0.260  -1.447   4.124
   18   HG12  VAL   3          2HG1      VAL   3  -1.044  -2.232   3.234
   19   HG13  VAL   3          3HG1      VAL   3  -1.359  -1.527   4.819
   20   HG21  VAL   3          1HG2      VAL   3  -0.462   1.113   1.613
   21   HG22  VAL   3          2HG2      VAL   3  -0.517  -0.611   1.264
   22   HG23  VAL   3          3HG2      VAL   3   0.770   0.039   2.283
   23    H    GLU   4           H        GLU   4  -3.648   1.986   4.077
   24    HA   GLU   4           HA       GLU   4  -4.006   3.419   1.560
   25    HB2  GLU   4          2HB       GLU   4  -5.373   3.768   4.221
   26    HB3  GLU   4          1HB       GLU   4  -5.679   4.732   2.786
   27    HG2  GLU   4          2HG       GLU   4  -6.527   2.820   1.617
   28    HG3  GLU   4          1HG       GLU   4  -6.088   1.761   2.956
   29    H    CYS   5           H        CYS   5  -2.586   4.913   1.175
   30    HA   CYS   5           HA       CYS   5  -1.482   6.338   3.448
   31    HB2  CYS   5          2HB       CYS   5   0.453   6.886   1.898
   32    HB3  CYS   5          1HB       CYS   5   0.337   5.211   2.408
   33    H    DAL   6           H        DAL   6  -2.765   8.003   3.682
   34    HA   DAL   6           HA       DAL   6  -2.472  10.213   2.040
   35    HB1  DAL   6          1HB       DAL   6  -4.087  11.347   3.414
   36    HB2  DAL   6          2HB       DAL   6  -3.040  10.352   4.423
   37    HB3  DAL   6          3HB       DAL   6  -4.677   9.815   4.054
   38    HA   DPR   7           HA       DPR   7  -6.594   9.541  -0.136
   39    HB2  DPR   7          1HB       DPR   7  -8.255   7.519   0.348
   40    HB3  DPR   7          2HB       DPR   7  -8.158   8.889   1.461
   41    HG2  DPR   7          1HG       DPR   7  -6.955   6.160   1.685
   42    HG3  DPR   7          2HG       DPR   7  -7.723   7.150   2.939
   43    HD2  DPR   7          1HD       DPR   7  -4.976   6.936   2.528
   44    HD3  DPR   7          2HD       DPR   7  -5.789   8.246   3.405
   45    H    VAL   8           H        VAL   8  -4.063   7.551  -0.209
   46    HA   VAL   8           HA       VAL   8  -4.968   6.281  -2.679
   47    HB   VAL   8           HB       VAL   8  -2.142   6.610  -1.615
   48   HG11  VAL   8          1HG1      VAL   8  -1.432   6.019  -3.889
   49   HG12  VAL   8          2HG1      VAL   8  -3.116   5.761  -4.344
   50   HG13  VAL   8          3HG1      VAL   8  -2.359   4.719  -3.138
   51   HG21  VAL   8          1HG2      VAL   8  -1.885   8.369  -3.323
   52   HG22  VAL   8          2HG2      VAL   8  -3.106   8.787  -2.123
   53   HG23  VAL   8          3HG2      VAL   8  -3.596   8.220  -3.719
   54    H    LYS   9           H        LYS   9  -5.647   4.226  -2.476
   55    HA   LYS   9           HA       LYS   9  -4.528   2.717  -0.274
   56    HB2  LYS   9          2HB       LYS   9  -6.330   1.096  -0.628
   57    HB3  LYS   9          1HB       LYS   9  -6.965   2.710  -0.370
   58    HG2  LYS   9          2HG       LYS   9  -7.436   2.936  -2.720
   59    HG3  LYS   9          1HG       LYS   9  -6.692   1.369  -3.046
   60    HD2  LYS   9          2HD       LYS   9  -8.372   0.297  -1.602
   61    HD3  LYS   9          1HD       LYS   9  -9.119   1.878  -1.345
   62    HE2  LYS   9          2HE       LYS   9  -9.589   2.070  -3.700
   63    HE3  LYS   9          1HE       LYS   9  -8.780   0.534  -4.009
   64    HZ1  LYS   9          1HZ       LYS   9 -10.458  -0.587  -2.716
   65    HZ2  LYS   9          2HZ       LYS   9 -11.191   0.339  -3.932
   66    HZ3  LYS   9          3HZ       LYS   9 -11.203   0.882  -2.342
   67    H    VAL  10           H        VAL  10  -2.923   1.513  -0.603
   68    HA   VAL  10           HA       VAL  10  -2.343   0.576  -3.297
   69    HB   VAL  10           HB       VAL  10  -0.585   0.670  -0.825
   70   HG11  VAL  10          1HG1      VAL  10   1.241   0.083  -2.307
   71   HG12  VAL  10          2HG1      VAL  10   0.125  -0.067  -3.666
   72   HG13  VAL  10          3HG1      VAL  10   0.020  -1.190  -2.306
   73   HG21  VAL  10          1HG2      VAL  10   0.618   2.438  -2.028
   74   HG22  VAL  10          2HG2      VAL  10  -1.062   2.882  -1.727
   75   HG23  VAL  10          3HG2      VAL  10  -0.564   2.349  -3.333
   76    H    CYS  11           H        CYS  11  -3.377  -1.214  -3.619
   77    HA   CYS  11           HA       CYS  11  -3.618  -3.196  -1.538
   78    HB2  CYS  11          2HB       CYS  11  -4.760  -3.085  -4.324
   79    HB3  CYS  11          1HB       CYS  11  -5.062  -4.382  -3.169
   80    H    ARG  12           H        ARG  12  -2.174  -4.614  -1.229
   81    HA   ARG  12           HA       ARG  12  -0.973  -6.103  -3.362
   82    HB2  ARG  12          2HB       ARG  12   0.549  -4.077  -2.923
   83    HB3  ARG  12          1HB       ARG  12   0.763  -4.708  -1.299
   84    HG2  ARG  12          2HG       ARG  12   2.653  -5.360  -2.583
   85    HG3  ARG  12          1HG       ARG  12   1.666  -6.799  -2.313
   86    HD2  ARG  12          2HD       ARG  12   2.454  -6.683  -4.638
   87    HD3  ARG  12          1HD       ARG  12   0.695  -6.557  -4.559
   88    HE   ARG  12           HE       ARG  12   2.297  -4.114  -4.620
   89   HH11  ARG  12          1HH1      ARG  12   0.195  -6.293  -6.476
   90   HH12  ARG  12          2HH1      ARG  12  -0.328  -5.073  -7.537
   91   HH21  ARG  12          1HH2      ARG  12   1.575  -2.499  -6.037
   92   HH22  ARG  12          2HH2      ARG  12   0.505  -2.836  -7.318
   93    HA   PRO  13           HA       PRO  13  -2.327  -9.019  -0.228
   94    HB2  PRO  13          2HB       PRO  13  -0.121 -10.567  -1.527
   95    HB3  PRO  13          1HB       PRO  13  -1.745 -11.102  -1.060
   96    HG2  PRO  13          2HG       PRO  13  -1.308 -10.535  -3.573
   97    HG3  PRO  13          1HG       PRO  13  -2.768  -9.908  -2.790
   98    HD2  PRO  13          2HD       PRO  13  -0.234  -8.463  -3.465
   99    HD3  PRO  13          1HD       PRO  13  -1.920  -7.914  -3.576
  100    H    ASP  14           H        ASP  14   1.190  -8.798  -0.744
  101    HA   ASP  14           HA       ASP  14   1.716  -9.546   1.981
  102    HB2  ASP  14          2HB       ASP  14   3.554  -8.531  -0.202
  103    HB3  ASP  14          1HB       ASP  14   4.120  -8.947   1.412
  104    HA   PRO  15           HA       PRO  15   0.673  -5.504   3.457
  105    HB2  PRO  15          2HB       PRO  15   1.650  -5.817   6.006
  106    HB3  PRO  15          1HB       PRO  15   0.086  -6.425   5.458
  107    HG2  PRO  15          2HG       PRO  15   2.693  -7.872   5.722
  108    HG3  PRO  15          1HG       PRO  15   1.068  -8.417   6.168
  109    HD2  PRO  15          2HD       PRO  15   2.245  -9.252   3.927
  110    HD3  PRO  15          1HD       PRO  15   0.500  -8.918   3.972
  111    H    GLU  16           H        GLU  16   3.928  -6.743   4.058
  112    HA   GLU  16           HA       GLU  16   4.927  -4.127   4.599
  113    HB2  GLU  16          2HB       GLU  16   6.402  -6.694   4.051
  114    HB3  GLU  16          1HB       GLU  16   7.127  -5.218   4.664
  115    HG2  GLU  16          2HG       GLU  16   5.873  -5.336   6.686
  116    HG3  GLU  16          1HG       GLU  16   4.910  -6.679   6.070
  117    H    GLU  17           H        GLU  17   4.809  -6.248   1.803
  118    HA   GLU  17           HA       GLU  17   6.385  -4.606   0.122
  119    HB2  GLU  17          2HB       GLU  17   4.258  -6.639  -0.469
  120    HB3  GLU  17          1HB       GLU  17   5.039  -5.723  -1.747
  121    HG2  GLU  17          2HG       GLU  17   6.463  -7.471   0.235
  122    HG3  GLU  17          1HG       GLU  17   6.046  -7.935  -1.414
  123    H    ALA  18           H        ALA  18   2.973  -4.708   0.887
  124    HA   ALA  18           HA       ALA  18   2.049  -2.737  -0.848
  125    HB1  ALA  18          1HB       ALA  18   1.086  -3.240   1.973
  126    HB2  ALA  18          2HB       ALA  18   0.611  -4.207   0.592
  127    HB3  ALA  18          3HB       ALA  18   0.164  -2.501   0.663
  128    H    ARG  19           H        ARG  19   3.207  -2.469   2.474
  129    HA   ARG  19           HA       ARG  19   3.134   0.310   2.811
  130    HB2  ARG  19          2HB       ARG  19   3.525  -1.226   4.652
  131    HB3  ARG  19          1HB       ARG  19   5.041  -1.738   3.933
  132    HG2  ARG  19          2HG       ARG  19   5.907   0.572   4.236
  133    HG3  ARG  19          1HG       ARG  19   4.417   0.968   5.093
  134    HD2  ARG  19          2HD       ARG  19   6.316  -1.230   5.868
  135    HD3  ARG  19          1HD       ARG  19   6.301   0.365   6.609
  136    HE   ARG  19           HE       ARG  19   3.811  -0.360   6.996
  137   HH11  ARG  19          1HH1      ARG  19   6.795  -2.231   7.497
  138   HH12  ARG  19          2HH1      ARG  19   6.161  -3.200   8.740
  139   HH21  ARG  19          1HH2      ARG  19   2.960  -1.659   8.766
  140   HH22  ARG  19          2HH2      ARG  19   3.937  -2.877   9.463
  141    H    ARG  20           H        ARG  20   5.752  -1.769   1.719
  142    HA   ARG  20           HA       ARG  20   7.835  -0.006   1.429
  143    HB2  ARG  20          2HB       ARG  20   7.903  -2.469   1.343
  144    HB3  ARG  20          1HB       ARG  20   7.163  -2.415  -0.240
  145    HG2  ARG  20          2HG       ARG  20   9.135  -1.354  -1.153
  146    HG3  ARG  20          1HG       ARG  20   9.871  -1.302   0.457
  147    HD2  ARG  20          2HD       ARG  20   9.731  -3.737   0.603
  148    HD3  ARG  20          1HD       ARG  20   9.010  -3.799  -0.997
  149    HE   ARG  20           HE       ARG  20  11.514  -2.479  -1.026
  150   HH11  ARG  20          1HH1      ARG  20  10.013  -5.696  -0.935
  151   HH12  ARG  20          2HH1      ARG  20  11.386  -6.486  -1.577
  152   HH21  ARG  20          1HH2      ARG  20  13.347  -3.565  -1.903
  153   HH22  ARG  20          2HH2      ARG  20  13.317  -5.250  -2.162
  154    H    GLU  21           H        GLU  21   5.461  -0.937  -1.072
  155    HA   GLU  21           HA       GLU  21   6.592   1.017  -2.847
  156    HB2  GLU  21          2HB       GLU  21   4.787   0.329  -4.421
  157    HB3  GLU  21          1HB       GLU  21   5.801  -1.001  -3.877
  158    HG2  GLU  21          2HG       GLU  21   4.042  -1.676  -2.320
  159    HG3  GLU  21          1HG       GLU  21   3.059  -0.320  -2.870
  160    H    ALA  22           H        ALA  22   4.011   0.933  -0.566
  161    HA   ALA  22           HA       ALA  22   2.545   3.135  -1.568
  162    HB1  ALA  22          1HB       ALA  22   1.446   3.206   0.589
  163    HB2  ALA  22          2HB       ALA  22   2.685   2.156   1.276
  164    HB3  ALA  22          3HB       ALA  22   1.593   1.534   0.039
  165    H    GLU  23           H        GLU  23   4.891   2.948   1.111
  166    HA   GLU  23           HA       GLU  23   4.687   5.711   1.673
  167    HB2  GLU  23          2HB       GLU  23   6.528   5.410   3.195
  168    HB3  GLU  23          1HB       GLU  23   5.413   4.064   3.341
  169    HG2  GLU  23          2HG       GLU  23   6.931   2.688   1.989
  170    HG3  GLU  23          1HG       GLU  23   8.054   4.045   1.899
  171    H    GLU  24           H        GLU  24   6.578   4.010  -0.613
  172    HA   GLU  24           HA       GLU  24   8.549   6.050  -0.983
  173    HB2  GLU  24          2HB       GLU  24   8.991   3.721  -1.632
  174    HB3  GLU  24          1HB       GLU  24   7.708   3.802  -2.830
  175    HG2  GLU  24          2HG       GLU  24   8.943   5.502  -4.057
  176    HG3  GLU  24          1HG       GLU  24  10.217   5.462  -2.843
  177    H    ARG  25           H        ARG  25   5.384   5.407  -2.202
  178    HA   ARG  25           HA       ARG  25   5.683   7.539  -4.166
  179    HB2  ARG  25          2HB       ARG  25   3.581   5.401  -3.882
  180    HB3  ARG  25          1HB       ARG  25   3.481   6.718  -5.051
  181    HG2  ARG  25          2HG       ARG  25   5.510   5.989  -6.127
  182    HG3  ARG  25          1HG       ARG  25   5.752   4.750  -4.899
  183    HD2  ARG  25          2HD       ARG  25   3.406   4.874  -6.787
  184    HD3  ARG  25          1HD       ARG  25   4.845   3.876  -7.010
  185    HE   ARG  25           HE       ARG  25   3.889   3.288  -4.512
  186   HH11  ARG  25          1HH1      ARG  25   2.769   2.937  -7.863
  187   HH12  ARG  25          2HH1      ARG  25   1.753   1.609  -7.513
  188   HH21  ARG  25          1HH2      ARG  25   2.463   1.445  -4.081
  189   HH22  ARG  25          2HH2      ARG  25   1.612   0.737  -5.364
  190    H    CYS  26           H        CYS  26   3.970   6.741  -1.260
  191    HA   CYS  26           HA       CYS  26   2.561   9.281  -1.354
  192    HB2  CYS  26          2HB       CYS  26   2.449   6.947   0.562
  193    HB3  CYS  26          1HB       CYS  26   1.544   8.433   0.805
  194    HN1  NH2  27           HN1      NH2  27   4.436  10.575  -1.201
  195    HN2  NH2  27           HN2      NH2  27   5.264  10.782   0.301
  Start of MODEL   13
    1    H1   THR   1          1HT       THR   1  -2.747  -7.223   0.506
    2    H2   THR   1          2HT       THR   1  -4.427  -7.244   0.351
    3    H3   THR   1          3HT       THR   1  -3.660  -8.301   1.439
    4    HA   THR   1           HA       THR   1  -4.662  -6.524   2.601
    5    HB   THR   1           HB       THR   1  -1.647  -6.211   2.515
    6    HG1  THR   1          1HG       THR   1  -3.016  -8.001   4.227
    7   HG21  THR   1          1HG2      THR   1  -2.822  -4.580   3.938
    8   HG22  THR   1          2HG2      THR   1  -1.910  -5.725   4.923
    9   HG23  THR   1          3HG2      THR   1  -3.655  -5.897   4.761
   10    H    CYS   2           H        CYS   2  -5.451  -4.506   2.351
   11    HA   CYS   2           HA       CYS   2  -4.142  -2.743   0.421
   12    HB2  CYS   2          2HB       CYS   2  -6.939  -2.665   1.571
   13    HB3  CYS   2          1HB       CYS   2  -6.283  -1.489   0.442
   14    H    VAL   3           H        VAL   3  -2.814  -1.377   1.293
   15    HA   VAL   3           HA       VAL   3  -3.483  -0.273   3.920
   16    HB   VAL   3           HB       VAL   3  -1.102   0.331   4.183
   17   HG11  VAL   3          1HG1      VAL   3  -1.821  -1.808   5.076
   18   HG12  VAL   3          2HG1      VAL   3  -0.166  -1.919   4.478
   19   HG13  VAL   3          3HG1      VAL   3  -1.493  -2.585   3.528
   20   HG21  VAL   3          1HG2      VAL   3  -0.714  -1.104   1.564
   21   HG22  VAL   3          2HG2      VAL   3   0.584  -0.553   2.622
   22   HG23  VAL   3          3HG2      VAL   3  -0.492   0.621   1.859
   23    H    GLU   4           H        GLU   4  -3.075   2.011   4.186
   24    HA   GLU   4           HA       GLU   4  -3.283   3.448   1.646
   25    HB2  GLU   4          2HB       GLU   4  -5.496   2.960   2.609
   26    HB3  GLU   4          1HB       GLU   4  -5.028   3.817   4.066
   27    HG2  GLU   4          2HG       GLU   4  -4.734   5.855   2.709
   28    HG3  GLU   4          1HG       GLU   4  -5.358   4.965   1.318
   29    H    CYS   5           H        CYS   5  -2.165   5.308   1.604
   30    HA   CYS   5           HA       CYS   5  -1.580   6.759   4.017
   31    HB2  CYS   5          2HB       CYS   5   0.288   5.082   3.844
   32    HB3  CYS   5          1HB       CYS   5   0.726   5.775   2.295
   33    H    DAL   6           H        DAL   6  -1.704   8.845   3.565
   34    HA   DAL   6           HA       DAL   6  -0.615  10.184   1.421
   35    HB1  DAL   6          1HB       DAL   6  -2.925  11.127   3.097
   36    HB2  DAL   6          2HB       DAL   6  -1.822  12.125   2.149
   37    HB3  DAL   6          3HB       DAL   6  -1.221  11.225   3.543
   38    HA   DPR   7           HA       DPR   7  -4.766  10.242  -0.963
   39    HB2  DPR   7          1HB       DPR   7  -6.680   8.420  -0.376
   40    HB3  DPR   7          2HB       DPR   7  -6.620  10.030   0.349
   41    HG2  DPR   7          1HG       DPR   7  -5.764   7.409   1.472
   42    HG3  DPR   7          2HG       DPR   7  -6.583   8.762   2.269
   43    HD2  DPR   7          1HD       DPR   7  -3.916   8.262   2.511
   44    HD3  DPR   7          2HD       DPR   7  -4.640   9.872   2.669
   45    H    VAL   8           H        VAL   8  -2.795   7.653  -0.214
   46    HA   VAL   8           HA       VAL   8  -3.414   6.423  -2.782
   47    HB   VAL   8           HB       VAL   8  -0.834   6.261  -1.206
   48   HG11  VAL   8          1HG1      VAL   8  -1.489   5.394  -4.016
   49   HG12  VAL   8          2HG1      VAL   8  -1.211   4.335  -2.637
   50   HG13  VAL   8          3HG1      VAL   8   0.106   5.322  -3.270
   51   HG21  VAL   8          1HG2      VAL   8   0.104   7.770  -2.901
   52   HG22  VAL   8          2HG2      VAL   8  -1.210   8.535  -2.008
   53   HG23  VAL   8          3HG2      VAL   8  -1.491   7.927  -3.638
   54    H    LYS   9           H        LYS   9  -4.193   4.450  -2.785
   55    HA   LYS   9           HA       LYS   9  -4.009   2.799  -0.356
   56    HB2  LYS   9          2HB       LYS   9  -6.277   3.622  -0.839
   57    HB3  LYS   9          1HB       LYS   9  -6.175   2.955  -2.458
   58    HG2  LYS   9          2HG       LYS   9  -5.948   0.691  -1.421
   59    HG3  LYS   9          1HG       LYS   9  -6.288   1.443   0.141
   60    HD2  LYS   9          2HD       LYS   9  -8.412   2.300  -0.758
   61    HD3  LYS   9          1HD       LYS   9  -8.077   1.491  -2.287
   62    HE2  LYS   9          2HE       LYS   9  -8.016  -0.666  -1.051
   63    HE3  LYS   9          1HE       LYS   9  -8.516   0.200   0.399
   64    HZ1  LYS   9          1HZ       LYS   9 -10.037  -0.017  -2.132
   65    HZ2  LYS   9          2HZ       LYS   9 -10.535   0.907  -0.829
   66    HZ3  LYS   9          3HZ       LYS   9 -10.418  -0.771  -0.685
   67    H    VAL  10           H        VAL  10  -2.626   1.165  -0.756
   68    HA   VAL  10           HA       VAL  10  -2.571   0.041  -3.476
   69    HB   VAL  10           HB       VAL  10  -0.260   0.110  -1.492
   70   HG11  VAL  10          1HG1      VAL  10  -0.222  -1.948  -2.808
   71   HG12  VAL  10          2HG1      VAL  10   1.087  -0.877  -3.308
   72   HG13  VAL  10          3HG1      VAL  10  -0.363  -1.014  -4.295
   73   HG21  VAL  10          1HG2      VAL  10  -0.620   1.525  -4.136
   74   HG22  VAL  10          2HG2      VAL  10   0.839   1.555  -3.147
   75   HG23  VAL  10          3HG2      VAL  10  -0.653   2.273  -2.539
   76    H    CYS  11           H        CYS  11  -2.876  -2.095  -3.702
   77    HA   CYS  11           HA       CYS  11  -3.317  -3.624  -1.244
   78    HB2  CYS  11          2HB       CYS  11  -4.724  -3.907  -3.907
   79    HB3  CYS  11          1HB       CYS  11  -5.030  -4.877  -2.468
   80    H    ARG  12           H        ARG  12  -1.764  -5.009  -0.964
   81    HA   ARG  12           HA       ARG  12  -0.826  -6.626  -3.208
   82    HB2  ARG  12          2HB       ARG  12   0.747  -4.628  -2.671
   83    HB3  ARG  12          1HB       ARG  12   1.060  -5.440  -1.149
   84    HG2  ARG  12          2HG       ARG  12   2.845  -5.918  -2.648
   85    HG3  ARG  12          1HG       ARG  12   1.901  -7.393  -2.430
   86    HD2  ARG  12          2HD       ARG  12   2.472  -7.100  -4.777
   87    HD3  ARG  12          1HD       ARG  12   0.735  -6.937  -4.559
   88    HE   ARG  12           HE       ARG  12   2.321  -4.483  -4.564
   89   HH11  ARG  12          1HH1      ARG  12   0.202  -6.638  -6.421
   90   HH12  ARG  12          2HH1      ARG  12  -0.117  -5.489  -7.629
   91   HH21  ARG  12          1HH2      ARG  12   1.902  -2.946  -6.209
   92   HH22  ARG  12          2HH2      ARG  12   0.838  -3.319  -7.492
   93    HA   PRO  13           HA       PRO  13  -1.743  -9.909  -0.268
   94    HB2  PRO  13          2HB       PRO  13   0.807 -11.067  -1.312
   95    HB3  PRO  13          1HB       PRO  13  -0.767 -11.847  -1.075
   96    HG2  PRO  13          2HG       PRO  13  -0.042 -11.146  -3.499
   97    HG3  PRO  13          1HG       PRO  13  -1.695 -10.814  -2.951
   98    HD2  PRO  13          2HD       PRO  13   0.609  -8.934  -3.248
   99    HD3  PRO  13          1HD       PRO  13  -1.116  -8.682  -3.592
  100    H    ASP  14           H        ASP  14   1.641  -8.882  -0.436
  101    HA   ASP  14           HA       ASP  14   1.967  -9.525   2.379
  102    HB2  ASP  14          2HB       ASP  14   3.922  -8.503   0.312
  103    HB3  ASP  14          1HB       ASP  14   4.320  -8.626   2.017
  104    HA   PRO  15           HA       PRO  15   0.619  -5.384   3.437
  105    HB2  PRO  15          2HB       PRO  15   1.594  -5.476   6.038
  106    HB3  PRO  15          1HB       PRO  15   0.008  -6.069   5.547
  107    HG2  PRO  15          2HG       PRO  15   2.541  -7.579   5.997
  108    HG3  PRO  15          1HG       PRO  15   0.878  -8.038   6.400
  109    HD2  PRO  15          2HD       PRO  15   2.160  -9.067   4.302
  110    HD3  PRO  15          1HD       PRO  15   0.416  -8.723   4.232
  111    H    GLU  16           H        GLU  16   3.750  -6.700   4.076
  112    HA   GLU  16           HA       GLU  16   5.216  -4.371   4.630
  113    HB2  GLU  16          2HB       GLU  16   6.158  -6.878   3.245
  114    HB3  GLU  16          1HB       GLU  16   7.166  -5.705   4.076
  115    HG2  GLU  16          2HG       GLU  16   6.112  -6.284   6.193
  116    HG3  GLU  16          1HG       GLU  16   5.073  -7.437   5.361
  117    H    GLU  17           H        GLU  17   4.875  -6.223   1.616
  118    HA   GLU  17           HA       GLU  17   6.278  -4.349   0.049
  119    HB2  GLU  17          2HB       GLU  17   4.368  -6.512  -0.821
  120    HB3  GLU  17          1HB       GLU  17   5.474  -5.643  -1.876
  121    HG2  GLU  17          2HG       GLU  17   7.349  -6.501  -0.452
  122    HG3  GLU  17          1HG       GLU  17   6.167  -7.535   0.347
  123    H    ALA  18           H        ALA  18   2.913  -4.769   0.847
  124    HA   ALA  18           HA       ALA  18   1.775  -2.986  -0.989
  125    HB1  ALA  18          1HB       ALA  18   0.448  -4.506   0.483
  126    HB2  ALA  18          2HB       ALA  18  -0.104  -2.840   0.543
  127    HB3  ALA  18          3HB       ALA  18   0.877  -3.485   1.857
  128    H    ARG  19           H        ARG  19   3.032  -2.471   2.287
  129    HA   ARG  19           HA       ARG  19   2.623   0.307   2.347
  130    HB2  ARG  19          2HB       ARG  19   4.510  -1.452   3.872
  131    HB3  ARG  19          1HB       ARG  19   4.418   0.282   4.118
  132    HG2  ARG  19          2HG       ARG  19   2.040   0.026   4.712
  133    HG3  ARG  19          1HG       ARG  19   2.231  -1.724   4.560
  134    HD2  ARG  19          2HD       ARG  19   2.433  -0.991   6.883
  135    HD3  ARG  19          1HD       ARG  19   3.932  -1.713   6.289
  136    HE   ARG  19           HE       ARG  19   4.360   0.902   5.845
  137   HH11  ARG  19          1HH1      ARG  19   3.403  -0.872   8.733
  138   HH12  ARG  19          2HH1      ARG  19   3.965   0.285   9.839
  139   HH21  ARG  19          1HH2      ARG  19   5.125   2.514   7.291
  140   HH22  ARG  19          2HH2      ARG  19   5.027   2.284   8.983
  141    H    ARG  20           H        ARG  20   5.319  -1.640   1.281
  142    HA   ARG  20           HA       ARG  20   7.202   0.392   0.998
  143    HB2  ARG  20          2HB       ARG  20   7.673  -2.046   0.867
  144    HB3  ARG  20          1HB       ARG  20   6.929  -2.072  -0.722
  145    HG2  ARG  20          2HG       ARG  20   8.637  -0.610  -1.590
  146    HG3  ARG  20          1HG       ARG  20   9.369  -0.463   0.011
  147    HD2  ARG  20          2HD       ARG  20  10.617  -2.074  -1.269
  148    HD3  ARG  20          1HD       ARG  20   9.729  -2.907   0.006
  149    HE   ARG  20           HE       ARG  20   8.689  -2.758  -2.718
  150   HH11  ARG  20          1HH1      ARG  20   9.591  -4.703   0.113
  151   HH12  ARG  20          2HH1      ARG  20   9.209  -6.174  -0.612
  152   HH21  ARG  20          1HH2      ARG  20   8.064  -4.800  -3.665
  153   HH22  ARG  20          2HH2      ARG  20   8.229  -6.241  -2.778
  154    H    GLU  21           H        GLU  21   4.610  -0.591  -1.108
  155    HA   GLU  21           HA       GLU  21   5.377   1.282  -3.170
  156    HB2  GLU  21          2HB       GLU  21   2.967  -0.486  -2.813
  157    HB3  GLU  21          1HB       GLU  21   3.200   0.554  -4.218
  158    HG2  GLU  21          2HG       GLU  21   5.211  -0.676  -4.804
  159    HG3  GLU  21          1HG       GLU  21   5.051  -1.654  -3.349
  160    H    ALA  22           H        ALA  22   2.798   0.983  -0.749
  161    HA   ALA  22           HA       ALA  22   1.388   3.304  -1.436
  162    HB1  ALA  22          1HB       ALA  22   1.525   2.013   1.278
  163    HB2  ALA  22          2HB       ALA  22   0.459   1.519  -0.037
  164    HB3  ALA  22          3HB       ALA  22   0.274   3.113   0.697
  165    H    GLU  23           H        GLU  23   3.887   2.866   1.072
  166    HA   GLU  23           HA       GLU  23   3.667   5.534   1.971
  167    HB2  GLU  23          2HB       GLU  23   5.865   3.512   2.407
  168    HB3  GLU  23          1HB       GLU  23   5.735   5.049   3.255
  169    HG2  GLU  23          2HG       GLU  23   3.593   4.352   4.193
  170    HG3  GLU  23          1HG       GLU  23   3.719   2.816   3.341
  171    H    GLU  24           H        GLU  24   5.431   4.029  -0.542
  172    HA   GLU  24           HA       GLU  24   7.371   6.087  -0.923
  173    HB2  GLU  24          2HB       GLU  24   7.757   3.831  -1.718
  174    HB3  GLU  24          1HB       GLU  24   6.350   3.923  -2.759
  175    HG2  GLU  24          2HG       GLU  24   7.428   5.595  -4.125
  176    HG3  GLU  24          1HG       GLU  24   8.820   5.617  -3.041
  177    H    ARG  25           H        ARG  25   4.182   5.418  -2.129
  178    HA   ARG  25           HA       ARG  25   4.214   7.662  -3.947
  179    HB2  ARG  25          2HB       ARG  25   2.032   5.783  -3.083
  180    HB3  ARG  25          1HB       ARG  25   1.821   7.028  -4.314
  181    HG2  ARG  25          2HG       ARG  25   3.512   5.935  -5.703
  182    HG3  ARG  25          1HG       ARG  25   3.752   4.715  -4.452
  183    HD2  ARG  25          2HD       ARG  25   2.317   3.881  -6.244
  184    HD3  ARG  25          1HD       ARG  25   1.446   3.977  -4.718
  185    HE   ARG  25           HE       ARG  25   0.905   6.349  -5.901
  186   HH11  ARG  25          1HH1      ARG  25   0.590   3.014  -7.074
  187   HH12  ARG  25          2HH1      ARG  25  -0.808   3.348  -7.991
  188   HH21  ARG  25          1HH2      ARG  25  -0.974   6.774  -7.141
  189   HH22  ARG  25          2HH2      ARG  25  -1.728   5.530  -8.032
  190    H    CYS  26           H        CYS  26   3.257   6.924  -0.774
  191    HA   CYS  26           HA       CYS  26   1.580   9.099  -0.187
  192    HB2  CYS  26          2HB       CYS  26   1.751   7.022   1.135
  193    HB3  CYS  26          1HB       CYS  26   3.384   7.474   1.597
  194    HN1  NH2  27           HN1      NH2  27   4.863   8.608   1.109
  195    HN2  NH2  27           HN2      NH2  27   5.342  10.260   0.976
  Start of MODEL   14
    1    H1   THR   1          1HT       THR   1  -4.047  -7.127   4.105
    2    H2   THR   1          2HT       THR   1  -5.235  -6.207   3.371
    3    H3   THR   1          3HT       THR   1  -3.890  -5.435   4.082
    4    HA   THR   1           HA       THR   1  -2.500  -6.587   2.443
    5    HB   THR   1           HB       THR   1  -3.830  -7.419   0.433
    6    HG1  THR   1          1HG       THR   1  -5.928  -7.543   0.633
    7   HG21  THR   1          1HG2      THR   1  -4.070  -8.869   3.057
    8   HG22  THR   1          2HG2      THR   1  -2.665  -8.912   1.985
    9   HG23  THR   1          3HG2      THR   1  -4.205  -9.616   1.465
   10    H    CYS   2           H        CYS   2  -5.054  -4.318   2.742
   11    HA   CYS   2           HA       CYS   2  -3.880  -2.789   0.553
   12    HB2  CYS   2          2HB       CYS   2  -6.727  -2.720   1.576
   13    HB3  CYS   2          1HB       CYS   2  -6.063  -1.644   0.354
   14    H    VAL   3           H        VAL   3  -2.820  -1.117   1.207
   15    HA   VAL   3           HA       VAL   3  -3.489   0.024   3.814
   16    HB   VAL   3           HB       VAL   3  -1.134   0.933   3.869
   17   HG11  VAL   3          1HG1      VAL   3  -0.034  -1.187   4.414
   18   HG12  VAL   3          2HG1      VAL   3  -1.343  -2.067   3.625
   19   HG13  VAL   3          3HG1      VAL   3  -1.668  -1.120   5.076
   20   HG21  VAL   3          1HG2      VAL   3  -0.677   0.891   1.476
   21   HG22  VAL   3          2HG2      VAL   3  -0.744  -0.871   1.488
   22   HG23  VAL   3          3HG2      VAL   3   0.539  -0.031   2.362
   23    H    GLU   4           H        GLU   4  -3.829   2.182   3.980
   24    HA   GLU   4           HA       GLU   4  -4.014   3.652   1.444
   25    HB2  GLU   4          2HB       GLU   4  -6.212   2.822   2.279
   26    HB3  GLU   4          1HB       GLU   4  -5.938   3.695   3.771
   27    HG2  GLU   4          2HG       GLU   4  -6.046   5.800   2.622
   28    HG3  GLU   4          1HG       GLU   4  -6.217   4.991   1.064
   29    H    CYS   5           H        CYS   5  -2.455   5.094   1.589
   30    HA   CYS   5           HA       CYS   5  -2.113   6.587   4.110
   31    HB2  CYS   5          2HB       CYS   5  -0.228   4.987   3.585
   32    HB3  CYS   5          1HB       CYS   5   0.066   5.916   2.132
   33    H    DAL   6           H        DAL   6  -2.773   8.568   3.783
   34    HA   DAL   6           HA       DAL   6  -1.639  10.330   2.001
   35    HB1  DAL   6          1HB       DAL   6  -2.771  10.989   4.081
   36    HB2  DAL   6          2HB       DAL   6  -4.328  10.708   3.304
   37    HB3  DAL   6          3HB       DAL   6  -3.251  11.962   2.695
   38    HA   DPR   7           HA       DPR   7  -5.185   9.947  -1.144
   39    HB2  DPR   7          1HB       DPR   7  -6.863   7.658  -0.636
   40    HB3  DPR   7          2HB       DPR   7  -7.317   9.362  -0.618
   41    HG2  DPR   7          1HG       DPR   7  -7.277   7.777   1.617
   42    HG3  DPR   7          2HG       DPR   7  -7.065   9.535   1.650
   43    HD2  DPR   7          1HD       DPR   7  -4.981   7.383   1.741
   44    HD3  DPR   7          2HD       DPR   7  -5.103   8.871   2.703
   45    H    VAL   8           H        VAL   8  -2.930   7.838  -0.329
   46    HA   VAL   8           HA       VAL   8  -3.069   6.457  -2.878
   47    HB   VAL   8           HB       VAL   8  -0.820   6.526  -0.841
   48   HG11  VAL   8          1HG1      VAL   8  -0.750   4.531  -2.246
   49   HG12  VAL   8          2HG1      VAL   8   0.575   5.625  -2.633
   50   HG13  VAL   8          3HG1      VAL   8  -0.831   5.535  -3.695
   51   HG21  VAL   8          1HG2      VAL   8  -1.243   8.729  -1.811
   52   HG22  VAL   8          2HG2      VAL   8  -1.118   8.034  -3.431
   53   HG23  VAL   8          3HG2      VAL   8   0.292   8.065  -2.373
   54    H    LYS   9           H        LYS   9  -4.132   4.625  -2.824
   55    HA   LYS   9           HA       LYS   9  -3.700   2.888  -0.534
   56    HB2  LYS   9          2HB       LYS   9  -5.992   3.698  -0.509
   57    HB3  LYS   9          1HB       LYS   9  -6.207   3.176  -2.172
   58    HG2  LYS   9          2HG       LYS   9  -6.251   0.916  -1.593
   59    HG3  LYS   9          1HG       LYS   9  -5.484   1.208  -0.032
   60    HD2  LYS   9          2HD       LYS   9  -7.873   0.710   0.198
   61    HD3  LYS   9          1HD       LYS   9  -7.473   2.323   0.771
   62    HE2  LYS   9          2HE       LYS   9  -8.220   3.185  -1.473
   63    HE3  LYS   9          1HE       LYS   9  -8.831   1.561  -1.798
   64    HZ1  LYS   9          1HZ       LYS   9  -9.592   3.311   0.439
   65    HZ2  LYS   9          2HZ       LYS   9 -10.202   1.758   0.203
   66    HZ3  LYS   9          3HZ       LYS   9 -10.576   2.987  -0.896
   67    H    VAL  10           H        VAL  10  -2.744   1.171  -0.934
   68    HA   VAL  10           HA       VAL  10  -2.782   0.098  -3.641
   69    HB   VAL  10           HB       VAL  10  -0.378  -0.628  -3.243
   70   HG11  VAL  10          1HG1      VAL  10   0.588   1.580  -3.787
   71   HG12  VAL  10          2HG1      VAL  10  -0.933   2.346  -3.322
   72   HG13  VAL  10          3HG1      VAL  10  -0.878   1.259  -4.709
   73   HG21  VAL  10          1HG2      VAL  10  -0.327  -0.374  -0.832
   74   HG22  VAL  10          2HG2      VAL  10  -0.603   1.357  -0.993
   75   HG23  VAL  10          3HG2      VAL  10   0.904   0.653  -1.568
   76    H    CYS  11           H        CYS  11  -2.680  -2.130  -3.802
   77    HA   CYS  11           HA       CYS  11  -3.115  -3.572  -1.297
   78    HB2  CYS  11          2HB       CYS  11  -4.531  -3.965  -3.942
   79    HB3  CYS  11          1HB       CYS  11  -4.709  -5.008  -2.540
   80    H    ARG  12           H        ARG  12  -1.974  -5.412  -1.062
   81    HA   ARG  12           HA       ARG  12  -0.734  -6.727  -3.305
   82    HB2  ARG  12          2HB       ARG  12   0.734  -4.717  -2.615
   83    HB3  ARG  12          1HB       ARG  12   0.965  -5.549  -1.094
   84    HG2  ARG  12          2HG       ARG  12   2.862  -5.908  -2.450
   85    HG3  ARG  12          1HG       ARG  12   1.984  -7.435  -2.338
   86    HD2  ARG  12          2HD       ARG  12   2.770  -7.039  -4.599
   87    HD3  ARG  12          1HD       ARG  12   1.008  -6.995  -4.556
   88    HE   ARG  12           HE       ARG  12   1.503  -4.432  -4.350
   89   HH11  ARG  12          1HH1      ARG  12   3.157  -6.747  -6.476
   90   HH12  ARG  12          2HH1      ARG  12   3.441  -5.600  -7.695
   91   HH21  ARG  12          1HH2      ARG  12   1.910  -2.892  -6.026
   92   HH22  ARG  12          2HH2      ARG  12   2.758  -3.369  -7.431
   93    HA   PRO  13           HA       PRO  13  -1.593 -10.260  -0.640
   94    HB2  PRO  13          2HB       PRO  13   1.236 -10.963  -1.340
   95    HB3  PRO  13          1HB       PRO  13  -0.189 -12.008  -1.283
   96    HG2  PRO  13          2HG       PRO  13   0.650 -11.115  -3.611
   97    HG3  PRO  13          1HG       PRO  13  -1.083 -11.123  -3.241
   98    HD2  PRO  13          2HD       PRO  13   0.814  -8.834  -3.362
   99    HD3  PRO  13          1HD       PRO  13  -0.916  -8.892  -3.754
  100    H    ASP  14           H        ASP  14   1.710  -8.939  -0.219
  101    HA   ASP  14           HA       ASP  14   1.400  -9.481   2.646
  102    HB2  ASP  14          2HB       ASP  14   3.926  -8.842   1.095
  103    HB3  ASP  14          1HB       ASP  14   3.858  -9.020   2.840
  104    HA   PRO  15           HA       PRO  15   0.526  -5.235   3.565
  105    HB2  PRO  15          2HB       PRO  15   1.785  -5.194   6.062
  106    HB3  PRO  15          1HB       PRO  15   0.120  -5.693   5.782
  107    HG2  PRO  15          2HG       PRO  15   2.573  -7.361   6.084
  108    HG3  PRO  15          1HG       PRO  15   0.928  -7.668   6.666
  109    HD2  PRO  15          2HD       PRO  15   1.895  -8.938   4.542
  110    HD3  PRO  15          1HD       PRO  15   0.199  -8.407   4.580
  111    H    GLU  16           H        GLU  16   3.750  -6.460   4.255
  112    HA   GLU  16           HA       GLU  16   5.044  -3.957   4.282
  113    HB2  GLU  16          2HB       GLU  16   7.130  -5.303   4.031
  114    HB3  GLU  16          1HB       GLU  16   6.088  -5.780   5.363
  115    HG2  GLU  16          2HG       GLU  16   5.337  -7.707   4.217
  116    HG3  GLU  16          1HG       GLU  16   6.066  -7.168   2.705
  117    H    GLU  17           H        GLU  17   4.353  -6.237   1.725
  118    HA   GLU  17           HA       GLU  17   6.084  -4.963  -0.170
  119    HB2  GLU  17          2HB       GLU  17   5.256  -7.419  -0.096
  120    HB3  GLU  17          1HB       GLU  17   3.796  -6.802  -0.844
  121    HG2  GLU  17          2HG       GLU  17   5.159  -7.638  -2.593
  122    HG3  GLU  17          1HG       GLU  17   5.261  -5.882  -2.675
  123    H    ALA  18           H        ALA  18   2.754  -4.787   0.842
  124    HA   ALA  18           HA       ALA  18   1.826  -3.047  -1.204
  125    HB1  ALA  18          1HB       ALA  18   0.845  -3.332   1.649
  126    HB2  ALA  18          2HB       ALA  18   0.269  -4.285   0.288
  127    HB3  ALA  18          3HB       ALA  18  -0.028  -2.550   0.334
  128    H    ARG  19           H        ARG  19   3.141  -2.580   2.037
  129    HA   ARG  19           HA       ARG  19   3.051   0.196   2.014
  130    HB2  ARG  19          2HB       ARG  19   4.808  -1.658   3.569
  131    HB3  ARG  19          1HB       ARG  19   4.896   0.085   3.750
  132    HG2  ARG  19          2HG       ARG  19   2.500   0.113   4.358
  133    HG3  ARG  19          1HG       ARG  19   2.493  -1.650   4.274
  134    HD2  ARG  19          2HD       ARG  19   2.754  -0.873   6.564
  135    HD3  ARG  19          1HD       ARG  19   4.189  -1.744   6.019
  136    HE   ARG  19           HE       ARG  19   4.402   1.070   5.614
  137   HH11  ARG  19          1HH1      ARG  19   4.642  -1.396   8.134
  138   HH12  ARG  19          2HH1      ARG  19   5.801  -0.532   9.055
  139   HH21  ARG  19          1HH2      ARG  19   5.976   2.270   6.900
  140   HH22  ARG  19          2HH2      ARG  19   6.538   1.567   8.361
  141    H    ARG  20           H        ARG  20   5.387  -1.971   0.663
  142    HA   ARG  20           HA       ARG  20   7.552  -0.360   0.129
  143    HB2  ARG  20          2HB       ARG  20   7.285  -2.724  -0.606
  144    HB3  ARG  20          1HB       ARG  20   6.205  -2.175  -1.876
  145    HG2  ARG  20          2HG       ARG  20   8.149  -0.739  -2.683
  146    HG3  ARG  20          1HG       ARG  20   9.156  -1.714  -1.612
  147    HD2  ARG  20          2HD       ARG  20   9.276  -2.731  -3.742
  148    HD3  ARG  20          1HD       ARG  20   8.198  -3.745  -2.784
  149    HE   ARG  20           HE       ARG  20   6.921  -1.704  -4.404
  150   HH11  ARG  20          1HH1      ARG  20   7.535  -5.152  -3.979
  151   HH12  ARG  20          2HH1      ARG  20   6.782  -5.612  -5.427
  152   HH21  ARG  20          1HH2      ARG  20   5.874  -2.271  -6.274
  153   HH22  ARG  20          2HH2      ARG  20   5.742  -3.888  -6.815
  154    H    GLU  21           H        GLU  21   4.490  -0.537  -1.574
  155    HA   GLU  21           HA       GLU  21   5.098   1.489  -3.512
  156    HB2  GLU  21          2HB       GLU  21   2.486   0.193  -2.745
  157    HB3  GLU  21          1HB       GLU  21   2.781   1.148  -4.191
  158    HG2  GLU  21          2HG       GLU  21   4.151  -1.444  -3.534
  159    HG3  GLU  21          1HG       GLU  21   2.746  -1.286  -4.586
  160    H    ALA  22           H        ALA  22   3.156   1.154  -0.598
  161    HA   ALA  22           HA       ALA  22   1.862   3.629  -0.651
  162    HB1  ALA  22          1HB       ALA  22   1.213   1.714   0.784
  163    HB2  ALA  22          2HB       ALA  22   1.253   3.269   1.609
  164    HB3  ALA  22          3HB       ALA  22   2.567   2.121   1.847
  165    H    GLU  23           H        GLU  23   4.784   2.745   1.208
  166    HA   GLU  23           HA       GLU  23   5.137   5.235   2.460
  167    HB2  GLU  23          2HB       GLU  23   7.319   3.303   1.664
  168    HB3  GLU  23          1HB       GLU  23   7.401   4.507   2.935
  169    HG2  GLU  23          2HG       GLU  23   5.585   2.105   2.925
  170    HG3  GLU  23          1HG       GLU  23   7.125   2.220   3.764
  171    H    GLU  24           H        GLU  24   6.083   4.029  -0.613
  172    HA   GLU  24           HA       GLU  24   7.958   6.053  -1.284
  173    HB2  GLU  24          2HB       GLU  24   8.025   3.761  -2.102
  174    HB3  GLU  24          1HB       GLU  24   6.510   4.006  -2.940
  175    HG2  GLU  24          2HG       GLU  24   7.550   5.571  -4.438
  176    HG3  GLU  24          1HG       GLU  24   9.062   5.474  -3.530
  177    H    ARG  25           H        ARG  25   4.532   5.518  -1.949
  178    HA   ARG  25           HA       ARG  25   4.481   7.912  -3.633
  179    HB2  ARG  25          2HB       ARG  25   2.502   5.682  -3.253
  180    HB3  ARG  25          1HB       ARG  25   2.179   7.096  -4.257
  181    HG2  ARG  25          2HG       ARG  25   3.965   6.524  -5.738
  182    HG3  ARG  25          1HG       ARG  25   4.524   5.255  -4.650
  183    HD2  ARG  25          2HD       ARG  25   3.324   4.347  -6.570
  184    HD3  ARG  25          1HD       ARG  25   2.487   3.984  -5.062
  185    HE   ARG  25           HE       ARG  25   1.426   6.334  -6.127
  186   HH11  ARG  25          1HH1      ARG  25   1.608   2.941  -7.081
  187   HH12  ARG  25          2HH1      ARG  25   0.087   2.911  -7.845
  188   HH21  ARG  25          1HH2      ARG  25  -0.618   6.322  -7.145
  189   HH22  ARG  25          2HH2      ARG  25  -1.247   4.893  -7.846
  190    H    CYS  26           H        CYS  26   3.881   7.148  -0.460
  191    HA   CYS  26           HA       CYS  26   1.783   9.148  -0.147
  192    HB2  CYS  26          2HB       CYS  26   1.554   6.991   1.052
  193    HB3  CYS  26          1HB       CYS  26   3.062   7.313   1.883
  194    HN1  NH2  27           HN1      NH2  27   2.759  11.087  -0.386
  195    HN2  NH2  27           HN2      NH2  27   4.098  11.639   0.555
  Start of MODEL   15
    1    H1   THR   1          1HT       THR   1  -4.367  -6.964   4.347
    2    H2   THR   1          2HT       THR   1  -5.536  -6.074   3.548
    3    H3   THR   1          3HT       THR   1  -4.205  -5.273   4.252
    4    HA   THR   1           HA       THR   1  -2.785  -6.553   2.698
    5    HB   THR   1           HB       THR   1  -4.111  -7.396   0.681
    6    HG1  THR   1          1HG       THR   1  -6.263  -7.850   1.063
    7   HG21  THR   1          1HG2      THR   1  -4.522  -9.564   1.745
    8   HG22  THR   1          2HG2      THR   1  -4.435  -8.787   3.329
    9   HG23  THR   1          3HG2      THR   1  -2.998  -8.866   2.307
   10    H    CYS   2           H        CYS   2  -5.248  -4.205   2.825
   11    HA   CYS   2           HA       CYS   2  -4.061  -2.855   0.514
   12    HB2  CYS   2          2HB       CYS   2  -6.835  -2.479   1.657
   13    HB3  CYS   2          1HB       CYS   2  -6.174  -1.695   0.228
   14    H    VAL   3           H        VAL   3  -2.674  -1.440   1.270
   15    HA   VAL   3           HA       VAL   3  -3.291  -0.218   3.823
   16    HB   VAL   3           HB       VAL   3  -1.068   0.768   3.874
   17   HG11  VAL   3          1HG1      VAL   3   0.321  -1.246   3.945
   18   HG12  VAL   3          2HG1      VAL   3  -0.959  -2.134   3.119
   19   HG13  VAL   3          3HG1      VAL   3  -1.246  -1.463   4.725
   20   HG21  VAL   3          1HG2      VAL   3   0.606   0.308   2.125
   21   HG22  VAL   3          2HG2      VAL   3  -0.748   1.271   1.529
   22   HG23  VAL   3          3HG2      VAL   3  -0.658  -0.449   1.155
   23    H    GLU   4           H        GLU   4  -3.512   1.912   4.144
   24    HA   GLU   4           HA       GLU   4  -4.248   3.440   1.758
   25    HB2  GLU   4          2HB       GLU   4  -5.626   3.382   4.462
   26    HB3  GLU   4          1HB       GLU   4  -6.126   4.333   3.065
   27    HG2  GLU   4          2HG       GLU   4  -6.648   2.350   1.815
   28    HG3  GLU   4          1HG       GLU   4  -5.964   1.329   3.066
   29    H    CYS   5           H        CYS   5  -2.826   5.026   1.566
   30    HA   CYS   5           HA       CYS   5  -1.878   6.413   3.974
   31    HB2  CYS   5          2HB       CYS   5  -0.126   4.902   3.169
   32    HB3  CYS   5          1HB       CYS   5  -0.273   5.565   1.551
   33    H    DAL   6           H        DAL   6  -3.063   8.254   3.748
   34    HA   DAL   6           HA       DAL   6  -2.209  10.234   2.005
   35    HB1  DAL   6          1HB       DAL   6  -4.861  10.197   3.442
   36    HB2  DAL   6          2HB       DAL   6  -4.022  11.612   2.813
   37    HB3  DAL   6          3HB       DAL   6  -3.323  10.696   4.146
   38    HA   DPR   7           HA       DPR   7  -5.796   9.481  -1.026
   39    HB2  DPR   7          1HB       DPR   7  -7.500   7.453  -0.782
   40    HB3  DPR   7          2HB       DPR   7  -7.681   8.896   0.229
   41    HG2  DPR   7          1HG       DPR   7  -6.424   6.257   0.901
   42    HG3  DPR   7          2HG       DPR   7  -7.597   7.195   1.840
   43    HD2  DPR   7          1HD       DPR   7  -4.905   7.251   2.292
   44    HD3  DPR   7          2HD       DPR   7  -5.991   8.608   2.653
   45    H    VAL   8           H        VAL   8  -3.239   7.749  -0.473
   46    HA   VAL   8           HA       VAL   8  -3.418   6.264  -2.939
   47    HB   VAL   8           HB       VAL   8  -1.120   6.425  -0.950
   48   HG11  VAL   8          1HG1      VAL   8   0.288   5.652  -2.807
   49   HG12  VAL   8          2HG1      VAL   8  -1.142   5.499  -3.825
   50   HG13  VAL   8          3HG1      VAL   8  -0.960   4.473  -2.403
   51   HG21  VAL   8          1HG2      VAL   8  -1.580   8.014  -3.477
   52   HG22  VAL   8          2HG2      VAL   8  -0.116   8.059  -2.494
   53   HG23  VAL   8          3HG2      VAL   8  -1.643   8.637  -1.829
   54    H    LYS   9           H        LYS   9  -4.364   4.329  -2.905
   55    HA   LYS   9           HA       LYS   9  -4.006   2.694  -0.509
   56    HB2  LYS   9          2HB       LYS   9  -6.296   2.604  -2.464
   57    HB3  LYS   9          1HB       LYS   9  -6.117   1.650  -1.006
   58    HG2  LYS   9          2HG       LYS   9  -6.155   3.829   0.273
   59    HG3  LYS   9          1HG       LYS   9  -6.644   4.593  -1.240
   60    HD2  LYS   9          2HD       LYS   9  -8.570   3.071  -1.367
   61    HD3  LYS   9          1HD       LYS   9  -8.104   2.368   0.182
   62    HE2  LYS   9          2HE       LYS   9  -8.234   4.734   1.105
   63    HE3  LYS   9          1HE       LYS   9  -9.048   5.155  -0.401
   64    HZ1  LYS   9          1HZ       LYS   9  -9.886   3.220   1.644
   65    HZ2  LYS   9          2HZ       LYS   9 -10.685   3.353   0.160
   66    HZ3  LYS   9          3HZ       LYS   9 -10.675   4.652   1.256
   67    H    VAL  10           H        VAL  10  -3.067   0.809  -0.810
   68    HA   VAL  10           HA       VAL  10  -3.115  -0.292  -3.484
   69    HB   VAL  10           HB       VAL  10  -0.945   0.699  -3.440
   70   HG11  VAL  10          1HG1      VAL  10  -0.654   0.965  -1.058
   71   HG12  VAL  10          2HG1      VAL  10   0.751   0.169  -1.780
   72   HG13  VAL  10          3HG1      VAL  10  -0.441  -0.777  -0.887
   73   HG21  VAL  10          1HG2      VAL  10  -1.044  -1.484  -4.495
   74   HG22  VAL  10          2HG2      VAL  10  -0.703  -2.263  -2.951
   75   HG23  VAL  10          3HG2      VAL  10   0.523  -1.254  -3.716
   76    H    CYS  11           H        CYS  11  -3.883  -2.183  -3.550
   77    HA   CYS  11           HA       CYS  11  -3.853  -3.860  -1.179
   78    HB2  CYS  11          2HB       CYS  11  -5.233  -4.218  -3.845
   79    HB3  CYS  11          1HB       CYS  11  -5.385  -5.302  -2.469
   80    H    ARG  12           H        ARG  12  -2.444  -5.392  -0.925
   81    HA   ARG  12           HA       ARG  12  -1.063  -6.574  -3.209
   82    HB2  ARG  12          2HB       ARG  12   0.013  -4.425  -1.981
   83    HB3  ARG  12          1HB       ARG  12   0.473  -5.664  -0.831
   84    HG2  ARG  12          2HG       ARG  12   2.294  -5.212  -2.308
   85    HG3  ARG  12          1HG       ARG  12   1.685  -6.837  -2.624
   86    HD2  ARG  12          2HD       ARG  12   0.714  -6.201  -4.656
   87    HD3  ARG  12          1HD       ARG  12   0.714  -4.490  -4.226
   88    HE   ARG  12           HE       ARG  12   2.991  -4.365  -4.656
   89   HH11  ARG  12          1HH1      ARG  12   1.611  -7.483  -5.708
   90   HH12  ARG  12          2HH1      ARG  12   2.984  -7.940  -6.580
   91   HH21  ARG  12          1HH2      ARG  12   4.874  -5.022  -5.910
   92   HH22  ARG  12          2HH2      ARG  12   4.886  -6.526  -6.688
   93    HA   PRO  13           HA       PRO  13  -1.949 -10.089  -0.479
   94    HB2  PRO  13          2HB       PRO  13   0.667 -11.138  -1.442
   95    HB3  PRO  13          1HB       PRO  13  -0.917 -11.922  -1.441
   96    HG2  PRO  13          2HG       PRO  13   0.102 -10.987  -3.704
   97    HG3  PRO  13          1HG       PRO  13  -1.624 -10.787  -3.348
   98    HD2  PRO  13          2HD       PRO  13   0.594  -8.788  -3.189
   99    HD3  PRO  13          1HD       PRO  13  -1.084  -8.586  -3.739
  100    H    ASP  14           H        ASP  14   1.323  -8.827  -0.599
  101    HA   ASP  14           HA       ASP  14   1.658  -9.468   2.226
  102    HB2  ASP  14          2HB       ASP  14   3.714  -8.583   0.180
  103    HB3  ASP  14          1HB       ASP  14   4.058  -8.853   1.880
  104    HA   PRO  15           HA       PRO  15   0.501  -5.161   2.863
  105    HB2  PRO  15          2HB       PRO  15   1.108  -5.145   5.558
  106    HB3  PRO  15          1HB       PRO  15  -0.426  -5.716   4.895
  107    HG2  PRO  15          2HG       PRO  15   1.986  -7.288   5.705
  108    HG3  PRO  15          1HG       PRO  15   0.277  -7.647   6.003
  109    HD2  PRO  15          2HD       PRO  15   1.654  -8.883   4.107
  110    HD3  PRO  15          1HD       PRO  15  -0.045  -8.428   3.838
  111    H    GLU  16           H        GLU  16   3.439  -6.672   3.860
  112    HA   GLU  16           HA       GLU  16   5.103  -4.497   4.468
  113    HB2  GLU  16          2HB       GLU  16   5.890  -6.991   2.981
  114    HB3  GLU  16          1HB       GLU  16   6.931  -5.954   3.937
  115    HG2  GLU  16          2HG       GLU  16   5.799  -6.625   5.949
  116    HG3  GLU  16          1HG       GLU  16   4.673  -7.610   5.010
  117    H    GLU  17           H        GLU  17   4.537  -6.242   1.457
  118    HA   GLU  17           HA       GLU  17   6.228  -4.719  -0.211
  119    HB2  GLU  17          2HB       GLU  17   5.336  -7.036  -0.664
  120    HB3  GLU  17          1HB       GLU  17   3.776  -6.309  -1.003
  121    HG2  GLU  17          2HG       GLU  17   4.779  -6.694  -3.092
  122    HG3  GLU  17          1HG       GLU  17   4.941  -4.965  -2.797
  123    H    ALA  18           H        ALA  18   2.845  -4.576   0.652
  124    HA   ALA  18           HA       ALA  18   1.946  -2.591  -1.105
  125    HB1  ALA  18          1HB       ALA  18   0.436  -3.989   0.258
  126    HB2  ALA  18          2HB       ALA  18   0.097  -2.275   0.461
  127    HB3  ALA  18          3HB       ALA  18   0.989  -3.147   1.705
  128    H    ARG  19           H        ARG  19   3.019  -2.278   2.277
  129    HA   ARG  19           HA       ARG  19   2.951   0.526   2.390
  130    HB2  ARG  19          2HB       ARG  19   4.719  -1.397   3.893
  131    HB3  ARG  19          1HB       ARG  19   4.571   0.311   4.265
  132    HG2  ARG  19          2HG       ARG  19   2.161  -0.061   4.729
  133    HG3  ARG  19          1HG       ARG  19   2.434  -1.793   4.483
  134    HD2  ARG  19          2HD       ARG  19   2.531  -1.168   6.868
  135    HD3  ARG  19          1HD       ARG  19   4.064  -1.821   6.280
  136    HE   ARG  19           HE       ARG  19   3.852   1.031   6.106
  137   HH11  ARG  19          1HH1      ARG  19   4.743  -1.595   8.319
  138   HH12  ARG  19          2HH1      ARG  19   5.880  -0.683   9.171
  139   HH21  ARG  19          1HH2      ARG  19   5.431   2.271   7.228
  140   HH22  ARG  19          2HH2      ARG  19   6.270   1.594   8.557
  141    H    ARG  20           H        ARG  20   5.507  -1.695   1.554
  142    HA   ARG  20           HA       ARG  20   7.668  -0.019   1.296
  143    HB2  ARG  20          2HB       ARG  20   7.708  -2.452   1.261
  144    HB3  ARG  20          1HB       ARG  20   6.937  -2.451  -0.308
  145    HG2  ARG  20          2HG       ARG  20   8.916  -1.412  -1.276
  146    HG3  ARG  20          1HG       ARG  20   9.688  -1.398   0.316
  147    HD2  ARG  20          2HD       ARG  20   9.448  -3.816   0.448
  148    HD3  ARG  20          1HD       ARG  20   8.699  -3.840  -1.140
  149    HE   ARG  20           HE       ARG  20  11.415  -2.798  -0.857
  150   HH11  ARG  20          1HH1      ARG  20   9.191  -5.267  -2.158
  151   HH12  ARG  20          2HH1      ARG  20  10.419  -6.119  -2.961
  152   HH21  ARG  20          1HH2      ARG  20  13.074  -3.987  -1.996
  153   HH22  ARG  20          2HH2      ARG  20  12.666  -5.382  -2.884
  154    H    GLU  21           H        GLU  21   5.121  -0.665  -1.111
  155    HA   GLU  21           HA       GLU  21   6.460   1.183  -2.882
  156    HB2  GLU  21          2HB       GLU  21   4.618   0.679  -4.525
  157    HB3  GLU  21          1HB       GLU  21   5.609  -0.691  -4.071
  158    HG2  GLU  21          2HG       GLU  21   3.841  -1.468  -2.574
  159    HG3  GLU  21          1HG       GLU  21   2.855  -0.075  -3.020
  160    H    ALA  22           H        ALA  22   3.617   1.158  -0.857
  161    HA   ALA  22           HA       ALA  22   2.456   3.538  -1.834
  162    HB1  ALA  22          1HB       ALA  22   1.234   1.908  -0.468
  163    HB2  ALA  22          2HB       ALA  22   1.118   3.543   0.179
  164    HB3  ALA  22          3HB       ALA  22   2.202   2.373   0.929
  165    H    GLU  23           H        GLU  23   4.781   2.989   0.797
  166    HA   GLU  23           HA       GLU  23   4.677   5.670   1.721
  167    HB2  GLU  23          2HB       GLU  23   6.808   3.585   2.198
  168    HB3  GLU  23          1HB       GLU  23   6.633   5.096   3.082
  169    HG2  GLU  23          2HG       GLU  23   4.440   4.371   3.882
  170    HG3  GLU  23          1HG       GLU  23   4.631   2.851   3.016
  171    H    GLU  24           H        GLU  24   6.175   4.288  -0.920
  172    HA   GLU  24           HA       GLU  24   8.269   6.232  -1.248
  173    HB2  GLU  24          2HB       GLU  24   6.982   4.295  -3.163
  174    HB3  GLU  24          1HB       GLU  24   8.316   5.354  -3.594
  175    HG2  GLU  24          2HG       GLU  24   8.417   3.305  -1.401
  176    HG3  GLU  24          1HG       GLU  24   8.987   3.049  -3.051
  177    H    ARG  25           H        ARG  25   4.923   5.924  -2.063
  178    HA   ARG  25           HA       ARG  25   4.914   8.216  -3.834
  179    HB2  ARG  25          2HB       ARG  25   2.638   6.602  -2.660
  180    HB3  ARG  25          1HB       ARG  25   2.447   7.883  -3.846
  181    HG2  ARG  25          2HG       ARG  25   3.923   5.293  -4.254
  182    HG3  ARG  25          1HG       ARG  25   2.326   5.697  -4.887
  183    HD2  ARG  25          2HD       ARG  25   3.307   7.532  -6.178
  184    HD3  ARG  25          1HD       ARG  25   4.908   7.123  -5.555
  185    HE   ARG  25           HE       ARG  25   3.558   4.968  -6.847
  186   HH11  ARG  25          1HH1      ARG  25   5.736   7.721  -7.313
  187   HH12  ARG  25          2HH1      ARG  25   6.319   7.199  -8.817
  188   HH21  ARG  25          1HH2      ARG  25   4.370   4.226  -8.897
  189   HH22  ARG  25          2HH2      ARG  25   5.520   5.144  -9.748
  190    H    CYS  26           H        CYS  26   4.061   7.384  -0.572
  191    HA   CYS  26           HA       CYS  26   3.112  10.003   0.090
  192    HB2  CYS  26          2HB       CYS  26   3.955   7.726   1.896
  193    HB3  CYS  26          1HB       CYS  26   3.026   9.140   2.377
  194    HN1  NH2  27           HN1      NH2  27   4.789  11.379  -0.451
  195    HN2  NH2  27           HN2      NH2  27   6.294  11.443   0.399
  Start of MODEL   16
    1    H1   THR   1          1HT       THR   1  -4.948  -7.365   0.636
    2    H2   THR   1          2HT       THR   1  -4.064  -8.493   1.520
    3    H3   THR   1          3HT       THR   1  -3.290  -7.504   0.378
    4    HA   THR   1           HA       THR   1  -4.596  -6.557   2.828
    5    HB   THR   1           HB       THR   1  -1.640  -6.785   2.163
    6    HG1  THR   1          1HG       THR   1  -1.981  -8.798   2.814
    7   HG21  THR   1          1HG2      THR   1  -3.060  -5.972   4.712
    8   HG22  THR   1          2HG2      THR   1  -2.180  -4.888   3.634
    9   HG23  THR   1          3HG2      THR   1  -1.317  -6.148   4.518
   10    H    CYS   2           H        CYS   2  -5.333  -4.534   2.437
   11    HA   CYS   2           HA       CYS   2  -3.940  -2.937   0.429
   12    HB2  CYS   2          2HB       CYS   2  -6.717  -2.608   1.572
   13    HB3  CYS   2          1HB       CYS   2  -6.011  -1.656   0.271
   14    H    VAL   3           H        VAL   3  -3.051  -1.040   0.981
   15    HA   VAL   3           HA       VAL   3  -3.427  -0.171   3.745
   16    HB   VAL   3           HB       VAL   3  -1.147   0.710   3.810
   17   HG11  VAL   3          1HG1      VAL   3  -1.482  -1.560   4.559
   18   HG12  VAL   3          2HG1      VAL   3   0.119  -1.372   3.842
   19   HG13  VAL   3          3HG1      VAL   3  -1.171  -2.165   2.934
   20   HG21  VAL   3          1HG2      VAL   3   0.485   0.203   2.017
   21   HG22  VAL   3          2HG2      VAL   3  -0.809   1.272   1.480
   22   HG23  VAL   3          3HG2      VAL   3  -0.836  -0.431   1.030
   23    H    GLU   4           H        GLU   4  -3.631   2.021   4.086
   24    HA   GLU   4           HA       GLU   4  -4.137   3.627   1.665
   25    HB2  GLU   4          2HB       GLU   4  -5.622   3.762   4.289
   26    HB3  GLU   4          1HB       GLU   4  -6.021   4.607   2.804
   27    HG2  GLU   4          2HG       GLU   4  -6.598   2.526   1.723
   28    HG3  GLU   4          1HG       GLU   4  -6.084   1.620   3.143
   29    H    CYS   5           H        CYS   5  -2.771   5.316   1.621
   30    HA   CYS   5           HA       CYS   5  -2.183   6.679   4.113
   31    HB2  CYS   5          2HB       CYS   5   0.213   6.973   3.188
   32    HB3  CYS   5          1HB       CYS   5  -0.223   5.447   3.943
   33    H    DAL   6           H        DAL   6  -2.946   8.611   3.922
   34    HA   DAL   6           HA       DAL   6  -1.956  10.540   2.248
   35    HB1  DAL   6          1HB       DAL   6  -4.637  10.669   3.613
   36    HB2  DAL   6          2HB       DAL   6  -3.660  12.029   3.064
   37    HB3  DAL   6          3HB       DAL   6  -3.083  11.003   4.376
   38    HA   DPR   7           HA       DPR   7  -5.519  10.290  -0.858
   39    HB2  DPR   7          1HB       DPR   7  -7.431   8.445  -0.789
   40    HB3  DPR   7          2HB       DPR   7  -7.473   9.841   0.294
   41    HG2  DPR   7          1HG       DPR   7  -6.644   7.017   0.853
   42    HG3  DPR   7          2HG       DPR   7  -7.603   8.116   1.858
   43    HD2  DPR   7          1HD       DPR   7  -4.885   7.636   2.163
   44    HD3  DPR   7          2HD       DPR   7  -5.742   9.059   2.779
   45    H    VAL   8           H        VAL   8  -3.424   7.838  -0.182
   46    HA   VAL   8           HA       VAL   8  -3.807   6.620  -2.825
   47    HB   VAL   8           HB       VAL   8  -1.275   6.744  -1.155
   48   HG11  VAL   8          1HG1      VAL   8  -1.324   4.822  -2.640
   49   HG12  VAL   8          2HG1      VAL   8  -0.134   5.997  -3.196
   50   HG13  VAL   8          3HG1      VAL   8  -1.692   5.867  -4.011
   51   HG21  VAL   8          1HG2      VAL   8  -0.459   8.396  -2.790
   52   HG22  VAL   8          2HG2      VAL   8  -1.874   8.978  -1.911
   53   HG23  VAL   8          3HG2      VAL   8  -2.045   8.393  -3.565
   54    H    LYS   9           H        LYS   9  -4.674   4.597  -2.699
   55    HA   LYS   9           HA       LYS   9  -3.800   2.969  -0.467
   56    HB2  LYS   9          2HB       LYS   9  -5.961   1.858  -0.490
   57    HB3  LYS   9          1HB       LYS   9  -6.119   3.566  -0.112
   58    HG2  LYS   9          2HG       LYS   9  -6.832   3.929  -2.471
   59    HG3  LYS   9          1HG       LYS   9  -6.807   2.178  -2.696
   60    HD2  LYS   9          2HD       LYS   9  -8.415   1.957  -0.831
   61    HD3  LYS   9          1HD       LYS   9  -8.481   3.714  -0.716
   62    HE2  LYS   9          2HE       LYS   9  -9.285   3.794  -3.060
   63    HE3  LYS   9          1HE       LYS   9  -9.307   2.032  -3.074
   64    HZ1  LYS   9          1HZ       LYS   9 -10.900   3.782  -1.290
   65    HZ2  LYS   9          2HZ       LYS   9 -10.884   2.117  -1.207
   66    HZ3  LYS   9          3HZ       LYS   9 -11.496   2.882  -2.584
   67    H    VAL  10           H        VAL  10  -2.989   1.076  -0.922
   68    HA   VAL  10           HA       VAL  10  -3.271   0.026  -3.641
   69    HB   VAL  10           HB       VAL  10  -1.124   1.248  -3.549
   70   HG11  VAL  10          1HG1      VAL  10  -0.624   1.079  -1.207
   71   HG12  VAL  10          2HG1      VAL  10   0.728   0.468  -2.164
   72   HG13  VAL  10          3HG1      VAL  10  -0.366  -0.658  -1.359
   73   HG21  VAL  10          1HG2      VAL  10  -0.776  -1.743  -3.708
   74   HG22  VAL  10          2HG2      VAL  10   0.372  -0.556  -4.319
   75   HG23  VAL  10          3HG2      VAL  10  -1.241  -0.667  -5.026
   76    H    CYS  11           H        CYS  11  -3.097  -2.252  -3.824
   77    HA   CYS  11           HA       CYS  11  -3.264  -3.661  -1.257
   78    HB2  CYS  11          2HB       CYS  11  -4.705  -4.323  -3.833
   79    HB3  CYS  11          1HB       CYS  11  -4.861  -5.175  -2.303
   80    H    ARG  12           H        ARG  12  -1.879  -5.228  -0.938
   81    HA   ARG  12           HA       ARG  12  -0.670  -6.685  -3.146
   82    HB2  ARG  12          2HB       ARG  12   0.873  -5.246  -0.949
   83    HB3  ARG  12          1HB       ARG  12   1.568  -6.525  -1.920
   84    HG2  ARG  12          2HG       ARG  12   0.458  -4.002  -3.129
   85    HG3  ARG  12          1HG       ARG  12   2.132  -4.155  -2.596
   86    HD2  ARG  12          2HD       ARG  12   0.832  -6.011  -4.584
   87    HD3  ARG  12          1HD       ARG  12   1.754  -4.574  -5.031
   88    HE   ARG  12           HE       ARG  12   3.518  -5.818  -3.514
   89   HH11  ARG  12          1HH1      ARG  12   1.494  -7.156  -6.117
   90   HH12  ARG  12          2HH1      ARG  12   2.648  -8.307  -6.595
   91   HH21  ARG  12          1HH2      ARG  12   5.122  -7.443  -4.172
   92   HH22  ARG  12          2HH2      ARG  12   4.736  -8.458  -5.478
   93    HA   PRO  13           HA       PRO  13  -1.515 -10.098  -0.465
   94    HB2  PRO  13          2HB       PRO  13   1.264 -11.098  -0.718
   95    HB3  PRO  13          1HB       PRO  13  -0.258 -11.890  -1.138
   96    HG2  PRO  13          2HG       PRO  13   1.368 -10.966  -3.044
   97    HG3  PRO  13          1HG       PRO  13  -0.392 -10.853  -3.203
   98    HD2  PRO  13          2HD       PRO  13   1.589  -8.744  -2.462
   99    HD3  PRO  13          1HD       PRO  13   0.153  -8.624  -3.501
  100    H    ASP  14           H        ASP  14   1.853  -9.143   0.120
  101    HA   ASP  14           HA       ASP  14   1.415  -9.434   2.977
  102    HB2  ASP  14          2HB       ASP  14   3.924  -8.905   1.380
  103    HB3  ASP  14          1HB       ASP  14   3.879  -8.859   3.137
  104    HA   PRO  15           HA       PRO  15   0.656  -5.133   3.691
  105    HB2  PRO  15          2HB       PRO  15   1.802  -4.962   6.216
  106    HB3  PRO  15          1HB       PRO  15   0.147  -5.483   5.903
  107    HG2  PRO  15          2HG       PRO  15   2.584  -7.103   6.429
  108    HG3  PRO  15          1HG       PRO  15   0.915  -7.398   6.932
  109    HD2  PRO  15          2HD       PRO  15   2.064  -8.757   4.915
  110    HD3  PRO  15          1HD       PRO  15   0.336  -8.344   4.902
  111    H    GLU  16           H        GLU  16   3.836  -6.485   4.442
  112    HA   GLU  16           HA       GLU  16   5.266  -4.083   4.370
  113    HB2  GLU  16          2HB       GLU  16   7.278  -5.456   3.853
  114    HB3  GLU  16          1HB       GLU  16   6.363  -6.053   5.224
  115    HG2  GLU  16          2HG       GLU  16   5.519  -7.878   3.988
  116    HG3  GLU  16          1HG       GLU  16   6.055  -7.181   2.462
  117    H    GLU  17           H        GLU  17   4.420  -6.321   1.787
  118    HA   GLU  17           HA       GLU  17   5.784  -5.007  -0.297
  119    HB2  GLU  17          2HB       GLU  17   3.445  -6.890  -0.251
  120    HB3  GLU  17          1HB       GLU  17   4.093  -6.241  -1.750
  121    HG2  GLU  17          2HG       GLU  17   5.729  -7.767   0.251
  122    HG3  GLU  17          1HG       GLU  17   4.910  -8.508  -1.126
  123    H    ALA  18           H        ALA  18   2.565  -4.688   1.013
  124    HA   ALA  18           HA       ALA  18   1.565  -2.921  -0.942
  125    HB1  ALA  18          1HB       ALA  18  -0.187  -2.410   0.673
  126    HB2  ALA  18          2HB       ALA  18   0.760  -3.154   1.958
  127    HB3  ALA  18          3HB       ALA  18   0.119  -4.146   0.651
  128    H    ARG  19           H        ARG  19   2.908  -2.304   2.291
  129    HA   ARG  19           HA       ARG  19   2.882   0.475   1.940
  130    HB2  ARG  19          2HB       ARG  19   4.482  -1.183   3.874
  131    HB3  ARG  19          1HB       ARG  19   4.447   0.575   3.890
  132    HG2  ARG  19          2HG       ARG  19   1.948   0.406   4.161
  133    HG3  ARG  19          1HG       ARG  19   2.187  -1.324   4.420
  134    HD2  ARG  19          2HD       ARG  19   2.075  -0.170   6.549
  135    HD3  ARG  19          1HD       ARG  19   3.688  -0.824   6.286
  136    HE   ARG  19           HE       ARG  19   3.743   1.772   5.333
  137   HH11  ARG  19          1HH1      ARG  19   3.148   0.237   8.469
  138   HH12  ARG  19          2HH1      ARG  19   3.779   1.537   9.369
  139   HH21  ARG  19          1HH2      ARG  19   4.658   3.507   6.560
  140   HH22  ARG  19          2HH2      ARG  19   4.667   3.427   8.267
  141    H    ARG  20           H        ARG  20   5.276  -1.933   1.220
  142    HA   ARG  20           HA       ARG  20   7.574  -0.575   0.750
  143    HB2  ARG  20          2HB       ARG  20   7.326  -2.952   0.425
  144    HB3  ARG  20          1HB       ARG  20   6.277  -2.688  -0.954
  145    HG2  ARG  20          2HG       ARG  20   8.151  -1.701  -2.165
  146    HG3  ARG  20          1HG       ARG  20   9.202  -2.029  -0.781
  147    HD2  ARG  20          2HD       ARG  20   8.706  -4.409  -0.966
  148    HD3  ARG  20          1HD       ARG  20   7.648  -4.086  -2.336
  149    HE   ARG  20           HE       ARG  20  10.024  -3.003  -3.030
  150   HH11  ARG  20          1HH1      ARG  20   8.890  -6.244  -2.147
  151   HH12  ARG  20          2HH1      ARG  20  10.133  -7.051  -2.988
  152   HH21  ARG  20          1HH2      ARG  20  11.733  -4.128  -4.190
  153   HH22  ARG  20          2HH2      ARG  20  11.794  -5.822  -4.169
  154    H    GLU  21           H        GLU  21   4.910  -0.853  -1.615
  155    HA   GLU  21           HA       GLU  21   6.254   1.159  -3.179
  156    HB2  GLU  21          2HB       GLU  21   4.481   0.803  -4.883
  157    HB3  GLU  21          1HB       GLU  21   5.423  -0.623  -4.501
  158    HG2  GLU  21          2HG       GLU  21   3.546  -1.405  -3.077
  159    HG3  GLU  21          1HG       GLU  21   2.612  -0.008  -3.625
  160    H    ALA  22           H        ALA  22   3.593   0.965  -1.004
  161    HA   ALA  22           HA       ALA  22   2.337   3.383  -1.708
  162    HB1  ALA  22          1HB       ALA  22   2.470   2.187   1.043
  163    HB2  ALA  22          2HB       ALA  22   1.362   1.651  -0.217
  164    HB3  ALA  22          3HB       ALA  22   1.246   3.293   0.422
  165    H    GLU  23           H        GLU  23   4.870   2.740   0.736
  166    HA   GLU  23           HA       GLU  23   5.066   5.263   1.921
  167    HB2  GLU  23          2HB       GLU  23   7.402   3.405   1.386
  168    HB3  GLU  23          1HB       GLU  23   7.338   4.667   2.591
  169    HG2  GLU  23          2HG       GLU  23   5.712   2.131   2.595
  170    HG3  GLU  23          1HG       GLU  23   7.153   2.433   3.550
  171    H    GLU  24           H        GLU  24   6.329   4.092  -1.055
  172    HA   GLU  24           HA       GLU  24   8.314   6.004  -1.613
  173    HB2  GLU  24          2HB       GLU  24   8.028   3.825  -2.774
  174    HB3  GLU  24          1HB       GLU  24   6.587   4.457  -3.552
  175    HG2  GLU  24          2HG       GLU  24   8.385   4.558  -5.108
  176    HG3  GLU  24          1HG       GLU  24   8.002   6.204  -4.609
  177    H    ARG  25           H        ARG  25   4.845   5.971  -2.153
  178    HA   ARG  25           HA       ARG  25   5.002   8.540  -3.566
  179    HB2  ARG  25          2HB       ARG  25   2.644   6.676  -3.229
  180    HB3  ARG  25          1HB       ARG  25   2.669   8.138  -4.203
  181    HG2  ARG  25          2HG       ARG  25   4.327   5.668  -4.683
  182    HG3  ARG  25          1HG       ARG  25   2.884   6.136  -5.582
  183    HD2  ARG  25          2HD       ARG  25   4.036   8.175  -6.339
  184    HD3  ARG  25          1HD       ARG  25   5.465   7.698  -5.433
  185    HE   ARG  25           HE       ARG  25   5.336   5.623  -6.919
  186   HH11  ARG  25          1HH1      ARG  25   4.401   8.885  -8.012
  187   HH12  ARG  25          2HH1      ARG  25   4.929   8.630  -9.610
  188   HH21  ARG  25          1HH2      ARG  25   6.055   5.323  -9.168
  189   HH22  ARG  25          2HH2      ARG  25   5.867   6.596 -10.264
  190    H    CYS  26           H        CYS  26   3.579   6.964  -0.781
  191    HA   CYS  26           HA       CYS  26   2.197   9.276   0.123
  192    HB2  CYS  26          2HB       CYS  26   2.892   6.700   1.536
  193    HB3  CYS  26          1HB       CYS  26   1.750   7.903   2.127
  194    HN1  NH2  27           HN1      NH2  27   4.523   7.504   2.132
  195    HN2  NH2  27           HN2      NH2  27   5.416   8.900   2.601
  Start of MODEL   17
    1    H1   THR   1          1HT       THR   1  -4.081  -7.409   3.912
    2    H2   THR   1          2HT       THR   1  -4.844  -5.924   3.951
    3    H3   THR   1          3HT       THR   1  -3.146  -6.021   3.799
    4    HA   THR   1           HA       THR   1  -3.261  -7.020   1.748
    5    HB   THR   1           HB       THR   1  -5.394  -8.260   2.063
    6    HG1  THR   1          1HG       THR   1  -5.444  -8.441   0.061
    7   HG21  THR   1          1HG2      THR   1  -6.729  -5.592   1.571
    8   HG22  THR   1          2HG2      THR   1  -6.766  -6.516   3.075
    9   HG23  THR   1          3HG2      THR   1  -7.553  -7.150   1.630
   10    H    CYS   2           H        CYS   2  -5.058  -4.157   3.014
   11    HA   CYS   2           HA       CYS   2  -3.914  -2.749   0.730
   12    HB2  CYS   2          2HB       CYS   2  -6.686  -2.310   1.857
   13    HB3  CYS   2          1HB       CYS   2  -5.929  -1.330   0.610
   14    H    VAL   3           H        VAL   3  -2.887  -0.960   1.235
   15    HA   VAL   3           HA       VAL   3  -3.235   0.054   3.954
   16    HB   VAL   3           HB       VAL   3  -0.937   1.019   3.797
   17   HG11  VAL   3          1HG1      VAL   3  -1.047  -1.949   3.292
   18   HG12  VAL   3          2HG1      VAL   3  -1.264  -1.153   4.846
   19   HG13  VAL   3          3HG1      VAL   3   0.300  -1.080   4.030
   20   HG21  VAL   3          1HG2      VAL   3   0.589   0.276   2.013
   21   HG22  VAL   3          2HG2      VAL   3  -0.753   1.222   1.364
   22   HG23  VAL   3          3HG2      VAL   3  -0.759  -0.535   1.214
   23    H    GLU   4           H        GLU   4  -3.984   2.037   4.211
   24    HA   GLU   4           HA       GLU   4  -4.561   3.603   1.800
   25    HB2  GLU   4          2HB       GLU   4  -5.666   3.911   4.588
   26    HB3  GLU   4          1HB       GLU   4  -6.256   4.672   3.125
   27    HG2  GLU   4          2HG       GLU   4  -6.359   1.734   3.745
   28    HG3  GLU   4          1HG       GLU   4  -7.697   2.865   3.895
   29    H    CYS   5           H        CYS   5  -3.171   5.271   1.488
   30    HA   CYS   5           HA       CYS   5  -2.669   7.029   3.691
   31    HB2  CYS   5          2HB       CYS   5  -0.834   5.382   3.952
   32    HB3  CYS   5          1HB       CYS   5  -0.288   5.769   2.322
   33    H    DAL   6           H        DAL   6  -2.600   9.029   3.048
   34    HA   DAL   6           HA       DAL   6  -1.414  10.020   0.756
   35    HB1  DAL   6          1HB       DAL   6  -3.655  11.306   2.299
   36    HB2  DAL   6          2HB       DAL   6  -2.532  12.115   1.207
   37    HB3  DAL   6          3HB       DAL   6  -1.939  11.395   2.703
   38    HA   DPR   7           HA       DPR   7  -5.677  10.000  -1.548
   39    HB2  DPR   7          1HB       DPR   7  -7.513   8.135  -0.799
   40    HB3  DPR   7          2HB       DPR   7  -7.512   9.790  -0.185
   41    HG2  DPR   7          1HG       DPR   7  -6.414   7.297   1.071
   42    HG3  DPR   7          2HG       DPR   7  -7.390   8.582   1.809
   43    HD2  DPR   7          1HD       DPR   7  -4.725   8.467   2.132
   44    HD3  DPR   7          2HD       DPR   7  -5.587  10.012   1.998
   45    H    VAL   8           H        VAL   8  -3.623   7.480  -0.674
   46    HA   VAL   8           HA       VAL   8  -4.239   6.054  -3.157
   47    HB   VAL   8           HB       VAL   8  -1.612   6.264  -1.636
   48   HG11  VAL   8          1HG1      VAL   8  -2.183   4.891  -4.265
   49   HG12  VAL   8          2HG1      VAL   8  -1.813   4.092  -2.740
   50   HG13  VAL   8          3HG1      VAL   8  -0.592   5.091  -3.530
   51   HG21  VAL   8          1HG2      VAL   8  -0.819   7.532  -3.566
   52   HG22  VAL   8          2HG2      VAL   8  -2.206   8.312  -2.795
   53   HG23  VAL   8          3HG2      VAL   8  -2.422   7.415  -4.296
   54    H    LYS   9           H        LYS   9  -4.680   3.914  -3.057
   55    HA   LYS   9           HA       LYS   9  -4.300   2.603  -0.495
   56    HB2  LYS   9          2HB       LYS   9  -6.239   1.192  -1.055
   57    HB3  LYS   9          1HB       LYS   9  -6.671   2.882  -0.851
   58    HG2  LYS   9          2HG       LYS   9  -6.820   3.123  -3.284
   59    HG3  LYS   9          1HG       LYS   9  -6.330   1.443  -3.481
   60    HD2  LYS   9          2HD       LYS   9  -8.716   1.583  -3.717
   61    HD3  LYS   9          1HD       LYS   9  -8.345   0.753  -2.210
   62    HE2  LYS   9          2HE       LYS   9 -10.164   2.320  -1.864
   63    HE3  LYS   9          1HE       LYS   9  -8.746   2.853  -0.975
   64    HZ1  LYS   9          1HZ       LYS   9  -9.593   3.925  -3.621
   65    HZ2  LYS   9          2HZ       LYS   9  -8.307   4.495  -2.664
   66    HZ3  LYS   9          3HZ       LYS   9  -9.885   4.649  -2.129
   67    H    VAL  10           H        VAL  10  -2.725   1.249  -0.654
   68    HA   VAL  10           HA       VAL  10  -2.225  -0.012  -3.250
   69    HB   VAL  10           HB       VAL  10  -0.375   0.054  -0.838
   70   HG11  VAL  10          1HG1      VAL  10   1.331  -0.794  -2.376
   71   HG12  VAL  10          2HG1      VAL  10   0.134  -0.869  -3.669
   72   HG13  VAL  10          3HG1      VAL  10  -0.030  -1.912  -2.257
   73   HG21  VAL  10          1HG2      VAL  10  -0.633   2.276  -1.808
   74   HG22  VAL  10          2HG2      VAL  10  -0.271   1.634  -3.409
   75   HG23  VAL  10          3HG2      VAL  10   0.973   1.634  -2.160
   76    H    CYS  11           H        CYS  11  -3.263  -1.803  -3.472
   77    HA   CYS  11           HA       CYS  11  -3.653  -3.502  -1.147
   78    HB2  CYS  11          2HB       CYS  11  -5.043  -3.474  -3.823
   79    HB3  CYS  11          1HB       CYS  11  -5.356  -4.657  -2.557
   80    H    ARG  12           H        ARG  12  -2.368  -5.070  -0.844
   81    HA   ARG  12           HA       ARG  12  -1.439  -6.758  -2.979
   82    HB2  ARG  12          2HB       ARG  12   0.183  -4.760  -2.660
   83    HB3  ARG  12          1HB       ARG  12   0.522  -5.459  -1.088
   84    HG2  ARG  12          2HG       ARG  12   2.238  -6.114  -2.582
   85    HG3  ARG  12          1HG       ARG  12   1.247  -7.534  -2.233
   86    HD2  ARG  12          2HD       ARG  12   1.835  -7.340  -4.629
   87    HD3  ARG  12          1HD       ARG  12   0.096  -7.294  -4.359
   88    HE   ARG  12           HE       ARG  12   0.130  -4.958  -4.795
   89   HH11  ARG  12          1HH1      ARG  12   3.304  -6.459  -5.393
   90   HH12  ARG  12          2HH1      ARG  12   3.754  -5.278  -6.552
   91   HH21  ARG  12          1HH2      ARG  12   0.815  -3.372  -6.372
   92   HH22  ARG  12          2HH2      ARG  12   2.345  -3.531  -7.114
   93    HA   PRO  13           HA       PRO  13  -2.393  -9.434   0.567
   94    HB2  PRO  13          2HB       PRO  13  -0.530 -11.325  -0.764
   95    HB3  PRO  13          1HB       PRO  13  -2.199 -11.583  -0.249
   96    HG2  PRO  13          2HG       PRO  13  -1.614 -11.292  -2.827
   97    HG3  PRO  13          1HG       PRO  13  -3.083 -10.573  -2.142
   98    HD2  PRO  13          2HD       PRO  13  -0.495  -9.263  -2.877
   99    HD3  PRO  13          1HD       PRO  13  -2.162  -8.676  -3.071
  100    H    ASP  14           H        ASP  14   0.851  -9.016  -0.638
  101    HA   ASP  14           HA       ASP  14   2.154  -9.733   1.829
  102    HB2  ASP  14          2HB       ASP  14   3.190  -8.385  -0.681
  103    HB3  ASP  14          1HB       ASP  14   4.208  -8.820   0.684
  104    HA   PRO  15           HA       PRO  15   0.936  -5.678   3.404
  105    HB2  PRO  15          2HB       PRO  15   2.232  -5.918   5.828
  106    HB3  PRO  15          1HB       PRO  15   0.615  -6.543   5.494
  107    HG2  PRO  15          2HG       PRO  15   3.236  -7.977   5.508
  108    HG3  PRO  15          1HG       PRO  15   1.659  -8.524   6.100
  109    HD2  PRO  15          2HD       PRO  15   2.663  -9.364   3.761
  110    HD3  PRO  15          1HD       PRO  15   0.925  -9.103   3.983
  111    H    GLU  16           H        GLU  16   4.257  -6.876   3.654
  112    HA   GLU  16           HA       GLU  16   5.304  -4.248   4.019
  113    HB2  GLU  16          2HB       GLU  16   6.728  -6.824   3.388
  114    HB3  GLU  16          1HB       GLU  16   7.512  -5.305   3.798
  115    HG2  GLU  16          2HG       GLU  16   5.591  -6.785   5.533
  116    HG3  GLU  16          1HG       GLU  16   7.347  -6.806   5.719
  117    H    GLU  17           H        GLU  17   4.628  -6.240   1.306
  118    HA   GLU  17           HA       GLU  17   6.197  -4.604  -0.458
  119    HB2  GLU  17          2HB       GLU  17   5.690  -6.929  -1.153
  120    HB3  GLU  17          1HB       GLU  17   3.977  -6.538  -1.182
  121    HG2  GLU  17          2HG       GLU  17   4.213  -5.111  -3.046
  122    HG3  GLU  17          1HG       GLU  17   5.960  -5.076  -2.890
  123    H    ALA  18           H        ALA  18   2.870  -4.737   0.586
  124    HA   ALA  18           HA       ALA  18   1.824  -2.707  -1.029
  125    HB1  ALA  18          1HB       ALA  18   0.422  -4.161   0.409
  126    HB2  ALA  18          2HB       ALA  18   0.102  -2.455   0.697
  127    HB3  ALA  18          3HB       ALA  18   1.093  -3.368   1.832
  128    H    ARG  19           H        ARG  19   3.290  -2.586   2.170
  129    HA   ARG  19           HA       ARG  19   3.236   0.194   2.503
  130    HB2  ARG  19          2HB       ARG  19   4.993  -1.920   3.698
  131    HB3  ARG  19          1HB       ARG  19   5.104  -0.226   4.149
  132    HG2  ARG  19          2HG       ARG  19   2.824  -0.250   4.940
  133    HG3  ARG  19          1HG       ARG  19   2.632  -1.919   4.396
  134    HD2  ARG  19          2HD       ARG  19   4.246  -2.691   5.967
  135    HD3  ARG  19          1HD       ARG  19   4.699  -1.039   6.382
  136    HE   ARG  19           HE       ARG  19   2.111  -1.077   6.982
  137   HH11  ARG  19          1HH1      ARG  19   4.582  -3.498   7.769
  138   HH12  ARG  19          2HH1      ARG  19   4.064  -3.678   9.384
  139   HH21  ARG  19          1HH2      ARG  19   1.365  -1.413   9.170
  140   HH22  ARG  19          2HH2      ARG  19   2.181  -2.514  10.180
  141    H    ARG  20           H        ARG  20   5.681  -1.894   1.035
  142    HA   ARG  20           HA       ARG  20   7.705   0.042   0.831
  143    HB2  ARG  20          2HB       ARG  20   8.057  -2.376   0.547
  144    HB3  ARG  20          1HB       ARG  20   7.198  -2.307  -0.986
  145    HG2  ARG  20          2HG       ARG  20   8.903  -0.693  -1.788
  146    HG3  ARG  20          1HG       ARG  20   9.817  -0.985  -0.311
  147    HD2  ARG  20          2HD       ARG  20  10.684  -2.375  -2.072
  148    HD3  ARG  20          1HD       ARG  20   9.863  -3.380  -0.873
  149    HE   ARG  20           HE       ARG  20   8.338  -2.510  -3.192
  150   HH11  ARG  20          1HH1      ARG  20  10.026  -5.150  -1.519
  151   HH12  ARG  20          2HH1      ARG  20   9.336  -6.363  -2.481
  152   HH21  ARG  20          1HH2      ARG  20   7.449  -4.157  -4.497
  153   HH22  ARG  20          2HH2      ARG  20   7.791  -5.805  -4.200
  154    H    GLU  21           H        GLU  21   5.124  -0.882  -1.404
  155    HA   GLU  21           HA       GLU  21   6.012   0.965  -3.399
  156    HB2  GLU  21          2HB       GLU  21   3.304  -0.351  -3.121
  157    HB3  GLU  21          1HB       GLU  21   3.946   0.412  -4.567
  158    HG2  GLU  21          2HG       GLU  21   4.965  -2.103  -3.252
  159    HG3  GLU  21          1HG       GLU  21   4.073  -1.993  -4.765
  160    H    ALA  22           H        ALA  22   3.758   1.006  -0.744
  161    HA   ALA  22           HA       ALA  22   2.439   3.402  -1.428
  162    HB1  ALA  22          1HB       ALA  22   2.759   2.177   1.300
  163    HB2  ALA  22          2HB       ALA  22   1.495   1.771   0.138
  164    HB3  ALA  22          3HB       ALA  22   1.571   3.391   0.832
  165    H    GLU  23           H        GLU  23   5.238   2.740   0.662
  166    HA   GLU  23           HA       GLU  23   5.457   5.211   1.890
  167    HB2  GLU  23          2HB       GLU  23   7.784   4.654   2.397
  168    HB3  GLU  23          1HB       GLU  23   6.733   3.271   2.650
  169    HG2  GLU  23          2HG       GLU  23   7.460   2.326   0.525
  170    HG3  GLU  23          1HG       GLU  23   8.492   3.724   0.254
  171    H    GLU  24           H        GLU  24   6.373   4.375  -1.338
  172    HA   GLU  24           HA       GLU  24   8.143   6.521  -1.822
  173    HB2  GLU  24          2HB       GLU  24   6.393   5.016  -3.769
  174    HB3  GLU  24          1HB       GLU  24   7.662   6.141  -4.228
  175    HG2  GLU  24          2HG       GLU  24   9.307   4.702  -3.094
  176    HG3  GLU  24          1HG       GLU  24   8.013   3.562  -2.727
  177    H    ARG  25           H        ARG  25   4.696   6.370  -1.666
  178    HA   ARG  25           HA       ARG  25   4.635   9.192  -2.499
  179    HB2  ARG  25          2HB       ARG  25   2.343   7.220  -2.639
  180    HB3  ARG  25          1HB       ARG  25   2.231   8.928  -3.029
  181    HG2  ARG  25          2HG       ARG  25   3.713   6.775  -4.520
  182    HG3  ARG  25          1HG       ARG  25   2.384   7.784  -5.091
  183    HD2  ARG  25          2HD       ARG  25   5.222   8.641  -4.510
  184    HD3  ARG  25          1HD       ARG  25   4.429   8.564  -6.074
  185    HE   ARG  25           HE       ARG  25   2.942  10.365  -5.223
  186   HH11  ARG  25          1HH1      ARG  25   6.136   9.961  -3.688
  187   HH12  ARG  25          2HH1      ARG  25   6.338  11.626  -3.402
  188   HH21  ARG  25          1HH2      ARG  25   3.265  12.665  -4.775
  189   HH22  ARG  25          2HH2      ARG  25   4.697  13.183  -4.030
  190    H    CYS  26           H        CYS  26   3.743   6.920  -0.086
  191    HA   CYS  26           HA       CYS  26   2.231   8.747   1.519
  192    HB2  CYS  26          2HB       CYS  26   1.737   6.365   1.583
  193    HB3  CYS  26          1HB       CYS  26   3.389   5.997   2.038
  194    HN1  NH2  27           HN1      NH2  27   3.667  10.467   1.815
  195    HN2  NH2  27           HN2      NH2  27   5.042  10.366   2.857
  Start of MODEL   18
    1    H1   THR   1          1HT       THR   1  -2.696  -5.899   3.854
    2    H2   THR   1          2HT       THR   1  -3.684  -7.270   4.030
    3    H3   THR   1          3HT       THR   1  -4.345  -5.732   4.182
    4    HA   THR   1           HA       THR   1  -3.162  -6.899   1.768
    5    HB   THR   1           HB       THR   1  -6.063  -6.248   2.309
    6    HG1  THR   1          1HG       THR   1  -5.565  -8.895   2.197
    7   HG21  THR   1          1HG2      THR   1  -4.681  -7.982   0.241
    8   HG22  THR   1          2HG2      THR   1  -5.383  -6.391  -0.058
    9   HG23  THR   1          3HG2      THR   1  -6.423  -7.747   0.380
   10    H    CYS   2           H        CYS   2  -5.325  -4.210   2.938
   11    HA   CYS   2           HA       CYS   2  -4.104  -2.557   0.855
   12    HB2  CYS   2          2HB       CYS   2  -6.916  -2.445   1.959
   13    HB3  CYS   2          1HB       CYS   2  -6.236  -1.296   0.813
   14    H    VAL   3           H        VAL   3  -2.793  -1.142   1.677
   15    HA   VAL   3           HA       VAL   3  -3.406   0.098   4.260
   16    HB   VAL   3           HB       VAL   3  -1.094   1.035   4.168
   17   HG11  VAL   3          1HG1      VAL   3  -1.446  -1.102   5.275
   18   HG12  VAL   3          2HG1      VAL   3   0.139  -1.048   4.505
   19   HG13  VAL   3          3HG1      VAL   3  -1.179  -1.947   3.752
   20   HG21  VAL   3          1HG2      VAL   3  -0.842  -0.580   1.635
   21   HG22  VAL   3          2HG2      VAL   3   0.487   0.227   2.465
   22   HG23  VAL   3          3HG2      VAL   3  -0.819   1.182   1.754
   23    H    GLU   4           H        GLU   4  -3.043   2.557   4.286
   24    HA   GLU   4           HA       GLU   4  -3.958   3.652   1.718
   25    HB2  GLU   4          2HB       GLU   4  -5.899   3.249   3.142
   26    HB3  GLU   4          1HB       GLU   4  -5.168   4.193   4.427
   27    HG2  GLU   4          2HG       GLU   4  -5.205   6.156   2.921
   28    HG3  GLU   4          1HG       GLU   4  -6.094   5.180   1.752
   29    H    CYS   5           H        CYS   5  -2.893   5.441   1.122
   30    HA   CYS   5           HA       CYS   5  -1.817   7.195   3.173
   31    HB2  CYS   5          2HB       CYS   5   0.059   5.741   2.642
   32    HB3  CYS   5          1HB       CYS   5  -0.168   6.029   0.921
   33    H    DAL   6           H        DAL   6  -2.887   8.982   2.738
   34    HA   DAL   6           HA       DAL   6  -2.178  10.605   0.617
   35    HB1  DAL   6          1HB       DAL   6  -4.586  10.993   2.375
   36    HB2  DAL   6          2HB       DAL   6  -3.751  12.224   1.431
   37    HB3  DAL   6          3HB       DAL   6  -2.933  11.447   2.784
   38    HA   DPR   7           HA       DPR   7  -6.184   9.826  -1.791
   39    HB2  DPR   7          1HB       DPR   7  -7.980   7.975  -1.086
   40    HB3  DPR   7          2HB       DPR   7  -7.969   9.575  -0.331
   41    HG2  DPR   7          1HG       DPR   7  -6.870   6.981   0.677
   42    HG3  DPR   7          2HG       DPR   7  -7.807   8.202   1.553
   43    HD2  DPR   7          1HD       DPR   7  -5.076   7.992   1.693
   44    HD3  DPR   7          2HD       DPR   7  -5.969   9.507   1.937
   45    H    VAL   8           H        VAL   8  -3.789   7.803  -1.124
   46    HA   VAL   8           HA       VAL   8  -4.453   6.074  -3.381
   47    HB   VAL   8           HB       VAL   8  -1.757   6.642  -2.113
   48   HG11  VAL   8          1HG1      VAL   8  -2.448   5.205  -4.672
   49   HG12  VAL   8          2HG1      VAL   8  -1.831   4.467  -3.194
   50   HG13  VAL   8          3HG1      VAL   8  -0.817   5.581  -4.114
   51   HG21  VAL   8          1HG2      VAL   8  -2.941   7.730  -4.668
   52   HG22  VAL   8          2HG2      VAL   8  -1.286   7.991  -4.115
   53   HG23  VAL   8          3HG2      VAL   8  -2.638   8.644  -3.190
   54    H    LYS   9           H        LYS   9  -5.171   4.103  -2.793
   55    HA   LYS   9           HA       LYS   9  -4.125   3.009  -0.318
   56    HB2  LYS   9          2HB       LYS   9  -5.894   1.317  -0.477
   57    HB3  LYS   9          1HB       LYS   9  -6.564   2.937  -0.477
   58    HG2  LYS   9          2HG       LYS   9  -6.968   2.809  -2.848
   59    HG3  LYS   9          1HG       LYS   9  -6.157   1.241  -2.929
   60    HD2  LYS   9          2HD       LYS   9  -7.857   0.289  -1.460
   61    HD3  LYS   9          1HD       LYS   9  -8.656   1.858  -1.363
   62    HE2  LYS   9          2HE       LYS   9  -9.061   1.794  -3.779
   63    HE3  LYS   9          1HE       LYS   9  -8.243   0.237  -3.876
   64    HZ1  LYS   9          1HZ       LYS   9 -10.745   0.774  -2.355
   65    HZ2  LYS   9          2HZ       LYS   9  -9.947  -0.702  -2.438
   66    HZ3  LYS   9          3HZ       LYS   9 -10.625  -0.044  -3.820
   67    H    VAL  10           H        VAL  10  -2.962   1.204  -0.276
   68    HA   VAL  10           HA       VAL  10  -2.088   0.220  -2.897
   69    HB   VAL  10           HB       VAL  10  -0.484   0.205  -0.317
   70   HG11  VAL  10          1HG1      VAL  10   0.373  -0.438  -3.135
   71   HG12  VAL  10          2HG1      VAL  10   0.068  -1.609  -1.856
   72   HG13  VAL  10          3HG1      VAL  10   1.396  -0.459  -1.694
   73   HG21  VAL  10          1HG2      VAL  10  -0.213   2.020  -2.717
   74   HG22  VAL  10          2HG2      VAL  10   0.917   1.943  -1.367
   75   HG23  VAL  10          3HG2      VAL  10  -0.738   2.494  -1.101
   76    H    CYS  11           H        CYS  11  -3.018  -1.647  -3.239
   77    HA   CYS  11           HA       CYS  11  -3.512  -3.408  -0.960
   78    HB2  CYS  11          2HB       CYS  11  -4.853  -3.330  -3.667
   79    HB3  CYS  11          1HB       CYS  11  -5.184  -4.519  -2.411
   80    H    ARG  12           H        ARG  12  -1.979  -4.800  -0.740
   81    HA   ARG  12           HA       ARG  12  -1.113  -6.274  -3.085
   82    HB2  ARG  12          2HB       ARG  12   0.695  -5.112  -0.955
   83    HB3  ARG  12          1HB       ARG  12   1.183  -6.407  -2.029
   84    HG2  ARG  12          2HG       ARG  12   0.368  -3.631  -2.886
   85    HG3  ARG  12          1HG       ARG  12   2.023  -4.231  -2.773
   86    HD2  ARG  12          2HD       ARG  12  -0.155  -5.183  -4.635
   87    HD3  ARG  12          1HD       ARG  12   1.323  -4.333  -5.070
   88    HE   ARG  12           HE       ARG  12   2.116  -6.661  -3.775
   89   HH11  ARG  12          1HH1      ARG  12   0.487  -5.820  -6.822
   90   HH12  ARG  12          2HH1      ARG  12   0.853  -7.294  -7.558
   91   HH21  ARG  12          1HH2      ARG  12   2.617  -8.601  -4.763
   92   HH22  ARG  12          2HH2      ARG  12   2.101  -8.953  -6.366
   93    HA   PRO  13           HA       PRO  13  -2.153  -9.857  -0.699
   94    HB2  PRO  13          2HB       PRO  13   0.407 -10.876  -1.855
   95    HB3  PRO  13          1HB       PRO  13  -1.180 -11.642  -1.835
   96    HG2  PRO  13          2HG       PRO  13  -0.301 -10.545  -4.063
   97    HG3  PRO  13          1HG       PRO  13  -1.989 -10.330  -3.574
   98    HD2  PRO  13          2HD       PRO  13   0.282  -8.413  -3.432
   99    HD3  PRO  13          1HD       PRO  13  -1.434  -8.129  -3.794
  100    H    ASP  14           H        ASP  14   1.308  -9.047  -0.863
  101    HA   ASP  14           HA       ASP  14   1.574  -9.813   1.930
  102    HB2  ASP  14          2HB       ASP  14   3.602  -9.246  -0.215
  103    HB3  ASP  14          1HB       ASP  14   4.056  -9.241   1.483
  104    HA   PRO  15           HA       PRO  15   1.314  -5.585   3.283
  105    HB2  PRO  15          2HB       PRO  15   2.647  -5.914   5.674
  106    HB3  PRO  15          1HB       PRO  15   0.948  -6.334   5.441
  107    HG2  PRO  15          2HG       PRO  15   3.361  -8.098   5.367
  108    HG3  PRO  15          1HG       PRO  15   1.788  -8.397   6.120
  109    HD2  PRO  15          2HD       PRO  15   2.449  -9.491   3.778
  110    HD3  PRO  15          1HD       PRO  15   0.787  -8.942   4.094
  111    H    GLU  16           H        GLU  16   4.158  -7.471   3.094
  112    HA   GLU  16           HA       GLU  16   6.314  -5.786   3.379
  113    HB2  GLU  16          2HB       GLU  16   6.483  -8.159   2.917
  114    HB3  GLU  16          1HB       GLU  16   5.773  -7.932   1.328
  115    HG2  GLU  16          2HG       GLU  16   8.085  -8.242   1.043
  116    HG3  GLU  16          1HG       GLU  16   7.734  -6.541   0.750
  117    H    GLU  17           H        GLU  17   4.555  -6.515   0.391
  118    HA   GLU  17           HA       GLU  17   5.875  -4.571  -1.189
  119    HB2  GLU  17          2HB       GLU  17   3.275  -6.001  -1.692
  120    HB3  GLU  17          1HB       GLU  17   4.273  -5.202  -2.896
  121    HG2  GLU  17          2HG       GLU  17   6.029  -6.844  -2.540
  122    HG3  GLU  17          1HG       GLU  17   5.057  -7.627  -1.293
  123    H    ALA  18           H        ALA  18   2.785  -4.788   0.455
  124    HA   ALA  18           HA       ALA  18   1.523  -2.512  -0.510
  125    HB1  ALA  18          1HB       ALA  18   0.122  -2.604   1.480
  126    HB2  ALA  18          2HB       ALA  18   1.291  -3.651   2.274
  127    HB3  ALA  18          3HB       ALA  18   0.398  -4.238   0.873
  128    H    ARG  19           H        ARG  19   3.432  -2.837   2.473
  129    HA   ARG  19           HA       ARG  19   3.379  -0.095   3.101
  130    HB2  ARG  19          2HB       ARG  19   5.235  -2.301   3.950
  131    HB3  ARG  19          1HB       ARG  19   5.314  -0.662   4.584
  132    HG2  ARG  19          2HG       ARG  19   3.103  -0.851   5.465
  133    HG3  ARG  19          1HG       ARG  19   2.925  -2.463   4.765
  134    HD2  ARG  19          2HD       ARG  19   4.664  -3.329   6.151
  135    HD3  ARG  19          1HD       ARG  19   5.069  -1.715   6.731
  136    HE   ARG  19           HE       ARG  19   2.696  -1.747   7.586
  137   HH11  ARG  19          1HH1      ARG  19   4.702  -4.683   7.415
  138   HH12  ARG  19          2HH1      ARG  19   4.061  -5.378   8.818
  139   HH21  ARG  19          1HH2      ARG  19   1.862  -2.702   9.577
  140   HH22  ARG  19          2HH2      ARG  19   2.438  -4.215  10.097
  141    H    ARG  20           H        ARG  20   5.708  -2.096   1.399
  142    HA   ARG  20           HA       ARG  20   7.839  -0.386   0.988
  143    HB2  ARG  20          2HB       ARG  20   7.778  -2.726   0.240
  144    HB3  ARG  20          1HB       ARG  20   6.574  -2.314  -0.961
  145    HG2  ARG  20          2HG       ARG  20   8.269  -0.833  -2.038
  146    HG3  ARG  20          1HG       ARG  20   9.463  -1.489  -0.909
  147    HD2  ARG  20          2HD       ARG  20   9.529  -2.676  -3.038
  148    HD3  ARG  20          1HD       ARG  20   8.996  -3.743  -1.736
  149    HE   ARG  20           HE       ARG  20   6.748  -2.589  -2.928
  150   HH11  ARG  20          1HH1      ARG  20   9.241  -4.959  -3.720
  151   HH12  ARG  20          2HH1      ARG  20   8.260  -5.819  -4.821
  152   HH21  ARG  20          1HH2      ARG  20   5.392  -3.797  -4.471
  153   HH22  ARG  20          2HH2      ARG  20   6.105  -5.127  -5.270
  154    H    GLU  21           H        GLU  21   5.004  -0.784  -1.090
  155    HA   GLU  21           HA       GLU  21   5.764   1.374  -2.755
  156    HB2  GLU  21          2HB       GLU  21   3.260  -0.287  -2.617
  157    HB3  GLU  21          1HB       GLU  21   3.605   0.898  -3.881
  158    HG2  GLU  21          2HG       GLU  21   5.529  -0.326  -4.599
  159    HG3  GLU  21          1HG       GLU  21   5.397  -1.420  -3.229
  160    H    ALA  22           H        ALA  22   3.651   1.027   0.016
  161    HA   ALA  22           HA       ALA  22   2.247   3.436  -0.254
  162    HB1  ALA  22          1HB       ALA  22   3.051   2.059   2.306
  163    HB2  ALA  22          2HB       ALA  22   1.621   1.682   1.346
  164    HB3  ALA  22          3HB       ALA  22   1.772   3.261   2.121
  165    H    GLU  23           H        GLU  23   5.330   2.714   1.340
  166    HA   GLU  23           HA       GLU  23   5.857   5.222   2.462
  167    HB2  GLU  23          2HB       GLU  23   7.833   3.251   1.305
  168    HB3  GLU  23          1HB       GLU  23   8.253   4.600   2.341
  169    HG2  GLU  23          2HG       GLU  23   6.935   3.600   4.149
  170    HG3  GLU  23          1HG       GLU  23   6.555   2.236   3.097
  171    H    GLU  24           H        GLU  24   6.256   4.132  -0.824
  172    HA   GLU  24           HA       GLU  24   7.648   6.547  -1.555
  173    HB2  GLU  24          2HB       GLU  24   6.760   4.188  -3.183
  174    HB3  GLU  24          1HB       GLU  24   7.584   5.587  -3.863
  175    HG2  GLU  24          2HG       GLU  24   9.481   5.184  -2.376
  176    HG3  GLU  24          1HG       GLU  24   8.660   3.764  -1.731
  177    H    ARG  25           H        ARG  25   4.406   5.490  -1.463
  178    HA   ARG  25           HA       ARG  25   3.495   7.530  -3.322
  179    HB2  ARG  25          2HB       ARG  25   1.861   5.804  -1.435
  180    HB3  ARG  25          1HB       ARG  25   1.216   6.824  -2.711
  181    HG2  ARG  25          2HG       ARG  25   2.943   4.384  -3.072
  182    HG3  ARG  25          1HG       ARG  25   1.215   4.503  -3.390
  183    HD2  ARG  25          2HD       ARG  25   1.614   6.085  -5.169
  184    HD3  ARG  25          1HD       ARG  25   3.338   6.118  -4.800
  185    HE   ARG  25           HE       ARG  25   2.697   3.492  -5.271
  186   HH11  ARG  25          1HH1      ARG  25   2.514   6.478  -7.146
  187   HH12  ARG  25          2HH1      ARG  25   2.907   5.745  -8.628
  188   HH21  ARG  25          1HH2      ARG  25   3.244   2.471  -7.313
  189   HH22  ARG  25          2HH2      ARG  25   3.280   3.400  -8.725
  190    H    CYS  26           H        CYS  26   4.090   7.119   0.003
  191    HA   CYS  26           HA       CYS  26   2.716   9.461   0.892
  192    HB2  CYS  26          2HB       CYS  26   4.837   7.732   2.182
  193    HB3  CYS  26          1HB       CYS  26   4.013   9.024   3.026
  194    HN1  NH2  27           HN1      NH2  27   3.441  11.232  -0.201
  195    HN2  NH2  27           HN2      NH2  27   5.079  11.776  -0.210
  Start of MODEL   19
    1    H1   THR   1          1HT       THR   1  -3.729  -5.581   4.039
    2    H2   THR   1          2HT       THR   1  -3.985  -7.226   3.782
    3    H3   THR   1          3HT       THR   1  -5.108  -6.131   3.205
    4    HA   THR   1           HA       THR   1  -2.334  -6.492   2.304
    5    HB   THR   1           HB       THR   1  -3.549  -7.008   0.124
    6    HG1  THR   1          1HG       THR   1  -5.762  -7.973   1.298
    7   HG21  THR   1          1HG2      THR   1  -3.948  -9.335   0.745
    8   HG22  THR   1          2HG2      THR   1  -3.974  -8.881   2.450
    9   HG23  THR   1          3HG2      THR   1  -2.482  -8.729   1.520
   10    H    CYS   2           H        CYS   2  -5.056  -4.344   2.508
   11    HA   CYS   2           HA       CYS   2  -3.856  -2.581   0.526
   12    HB2  CYS   2          2HB       CYS   2  -6.558  -2.460   1.878
   13    HB3  CYS   2          1HB       CYS   2  -5.977  -1.360   0.635
   14    H    VAL   3           H        VAL   3  -2.569  -1.115   1.274
   15    HA   VAL   3           HA       VAL   3  -3.042  -0.098   3.968
   16    HB   VAL   3           HB       VAL   3  -0.775   0.887   3.866
   17   HG11  VAL   3          1HG1      VAL   3   0.538  -1.186   3.964
   18   HG12  VAL   3          2HG1      VAL   3  -0.808  -2.057   3.227
   19   HG13  VAL   3          3HG1      VAL   3  -0.998  -1.329   4.821
   20   HG21  VAL   3          1HG2      VAL   3  -0.592  -0.481   1.189
   21   HG22  VAL   3          2HG2      VAL   3   0.755   0.283   2.027
   22   HG23  VAL   3          3HG2      VAL   3  -0.610   1.257   1.475
   23    H    GLU   4           H        GLU   4  -3.266   2.118   4.248
   24    HA   GLU   4           HA       GLU   4  -4.047   3.474   1.784
   25    HB2  GLU   4          2HB       GLU   4  -5.077   3.785   4.596
   26    HB3  GLU   4          1HB       GLU   4  -5.538   4.823   3.254
   27    HG2  GLU   4          2HG       GLU   4  -6.516   2.975   2.083
   28    HG3  GLU   4          1HG       GLU   4  -5.934   1.848   3.306
   29    H    CYS   5           H        CYS   5  -2.868   5.097   1.204
   30    HA   CYS   5           HA       CYS   5  -1.523   6.666   3.249
   31    HB2  CYS   5          2HB       CYS   5   0.039   4.923   2.269
   32    HB3  CYS   5          1HB       CYS   5  -0.165   5.722   0.713
   33    H    DAL   6           H        DAL   6  -1.968   8.702   2.905
   34    HA   DAL   6           HA       DAL   6  -2.000  10.082   0.535
   35    HB1  DAL   6          1HB       DAL   6  -3.607  10.777   2.986
   36    HB2  DAL   6          2HB       DAL   6  -3.110  11.882   1.706
   37    HB3  DAL   6          3HB       DAL   6  -1.896  11.141   2.749
   38    HA   DPR   7           HA       DPR   7  -6.752   9.493  -0.035
   39    HB2  DPR   7          1HB       DPR   7  -8.051   7.490   1.186
   40    HB3  DPR   7          2HB       DPR   7  -7.793   9.045   1.986
   41    HG2  DPR   7          1HG       DPR   7  -6.236   6.498   2.245
   42    HG3  DPR   7          2HG       DPR   7  -6.862   7.549   3.532
   43    HD2  DPR   7          1HD       DPR   7  -4.289   7.658   2.691
   44    HD3  DPR   7          2HD       DPR   7  -5.161   9.099   3.246
   45    H    VAL   8           H        VAL   8  -4.272   7.425  -0.458
   46    HA   VAL   8           HA       VAL   8  -5.692   5.975  -2.560
   47    HB   VAL   8           HB       VAL   8  -2.710   6.385  -2.134
   48   HG11  VAL   8          1HG1      VAL   8  -4.183   5.267  -4.515
   49   HG12  VAL   8          2HG1      VAL   8  -3.201   4.344  -3.380
   50   HG13  VAL   8          3HG1      VAL   8  -2.446   5.553  -4.418
   51   HG21  VAL   8          1HG2      VAL   8  -4.586   7.758  -4.064
   52   HG22  VAL   8          2HG2      VAL   8  -2.834   7.956  -4.022
   53   HG23  VAL   8          3HG2      VAL   8  -3.816   8.493  -2.658
   54    H    LYS   9           H        LYS   9  -6.045   3.822  -2.318
   55    HA   LYS   9           HA       LYS   9  -4.678   2.503  -0.127
   56    HB2  LYS   9          2HB       LYS   9  -6.361   0.760  -0.277
   57    HB3  LYS   9          1HB       LYS   9  -7.165   2.316  -0.203
   58    HG2  LYS   9          2HG       LYS   9  -7.565   2.214  -2.630
   59    HG3  LYS   9          1HG       LYS   9  -6.728   0.666  -2.683
   60    HD2  LYS   9          2HD       LYS   9  -8.421  -0.249  -1.118
   61    HD3  LYS   9          1HD       LYS   9  -9.298   1.277  -1.228
   62    HE2  LYS   9          2HE       LYS   9 -10.294  -0.306  -2.755
   63    HE3  LYS   9          1HE       LYS   9  -9.476   0.949  -3.680
   64    HZ1  LYS   9          1HZ       LYS   9  -8.377  -1.766  -3.121
   65    HZ2  LYS   9          2HZ       LYS   9  -7.612  -0.585  -4.053
   66    HZ3  LYS   9          3HZ       LYS   9  -9.044  -1.269  -4.564
   67    H    VAL  10           H        VAL  10  -3.037   1.275  -0.520
   68    HA   VAL  10           HA       VAL  10  -2.581   0.304  -3.258
   69    HB   VAL  10           HB       VAL  10  -0.603   0.503  -0.948
   70   HG11  VAL  10          1HG1      VAL  10  -0.134  -0.172  -3.855
   71   HG12  VAL  10          2HG1      VAL  10  -0.037  -1.290  -2.494
   72   HG13  VAL  10          3HG1      VAL  10   1.120   0.035  -2.631
   73   HG21  VAL  10          1HG2      VAL  10  -1.243   2.719  -1.742
   74   HG22  VAL  10          2HG2      VAL  10  -0.880   2.244  -3.401
   75   HG23  VAL  10          3HG2      VAL  10   0.419   2.352  -2.211
   76    H    CYS  11           H        CYS  11  -3.244  -1.727  -3.544
   77    HA   CYS  11           HA       CYS  11  -3.333  -3.476  -1.201
   78    HB2  CYS  11          2HB       CYS  11  -4.892  -3.688  -3.785
   79    HB3  CYS  11          1HB       CYS  11  -5.061  -4.718  -2.373
   80    H    ARG  12           H        ARG  12  -1.685  -4.778  -1.096
   81    HA   ARG  12           HA       ARG  12  -0.839  -6.175  -3.527
   82    HB2  ARG  12          2HB       ARG  12   1.016  -5.137  -1.347
   83    HB3  ARG  12          1HB       ARG  12   1.513  -6.151  -2.677
   84    HG2  ARG  12          2HG       ARG  12   0.513  -3.316  -2.843
   85    HG3  ARG  12          1HG       ARG  12   2.157  -3.885  -3.128
   86    HD2  ARG  12          2HD       ARG  12  -0.294  -4.499  -4.782
   87    HD3  ARG  12          1HD       ARG  12   1.049  -3.457  -5.231
   88    HE   ARG  12           HE       ARG  12   2.270  -5.801  -4.761
   89   HH11  ARG  12          1HH1      ARG  12  -0.600  -5.068  -6.720
   90   HH12  ARG  12          2HH1      ARG  12  -0.263  -6.244  -7.897
   91   HH21  ARG  12          1HH2      ARG  12   2.729  -7.375  -6.349
   92   HH22  ARG  12          2HH2      ARG  12   1.729  -7.591  -7.702
   93    HA   PRO  13           HA       PRO  13  -1.543  -9.950  -1.350
   94    HB2  PRO  13          2HB       PRO  13   0.893 -11.266  -1.691
   95    HB3  PRO  13          1HB       PRO  13  -0.434 -11.268  -2.857
   96    HG2  PRO  13          2HG       PRO  13   2.010  -9.538  -2.773
   97    HG3  PRO  13          1HG       PRO  13   1.243 -10.320  -4.169
   98    HD2  PRO  13          2HD       PRO  13   0.876  -7.744  -3.759
   99    HD3  PRO  13          1HD       PRO  13  -0.504  -8.758  -4.222
  100    H    ASP  14           H        ASP  14   1.616  -8.546  -0.715
  101    HA   ASP  14           HA       ASP  14   1.472  -9.502   2.040
  102    HB2  ASP  14          2HB       ASP  14   3.784  -8.543   0.363
  103    HB3  ASP  14          1HB       ASP  14   3.901  -8.649   2.110
  104    HA   PRO  15           HA       PRO  15   0.345  -5.365   3.236
  105    HB2  PRO  15          2HB       PRO  15   1.240  -5.542   5.848
  106    HB3  PRO  15          1HB       PRO  15  -0.336  -6.123   5.304
  107    HG2  PRO  15          2HG       PRO  15   2.197  -7.648   5.753
  108    HG3  PRO  15          1HG       PRO  15   0.534  -8.108   6.152
  109    HD2  PRO  15          2HD       PRO  15   1.775  -9.118   4.021
  110    HD3  PRO  15          1HD       PRO  15   0.048  -8.712   3.965
  111    H    GLU  16           H        GLU  16   3.448  -6.798   3.881
  112    HA   GLU  16           HA       GLU  16   4.938  -4.458   4.477
  113    HB2  GLU  16          2HB       GLU  16   5.910  -7.031   3.244
  114    HB3  GLU  16          1HB       GLU  16   6.887  -5.833   4.076
  115    HG2  GLU  16          2HG       GLU  16   5.729  -6.307   6.148
  116    HG3  GLU  16          1HG       GLU  16   4.724  -7.501   5.325
  117    H    GLU  17           H        GLU  17   4.236  -6.231   1.516
  118    HA   GLU  17           HA       GLU  17   5.978  -4.764  -0.183
  119    HB2  GLU  17          2HB       GLU  17   5.098  -7.048  -0.687
  120    HB3  GLU  17          1HB       GLU  17   3.499  -6.350  -0.901
  121    HG2  GLU  17          2HG       GLU  17   4.376  -4.988  -2.749
  122    HG3  GLU  17          1HG       GLU  17   5.942  -5.765  -2.553
  123    H    ALA  18           H        ALA  18   2.586  -4.617   0.640
  124    HA   ALA  18           HA       ALA  18   1.801  -2.539  -1.066
  125    HB1  ALA  18          1HB       ALA  18   0.219  -4.022   0.131
  126    HB2  ALA  18          2HB       ALA  18  -0.136  -2.321   0.374
  127    HB3  ALA  18          3HB       ALA  18   0.671  -3.239   1.645
  128    H    ARG  19           H        ARG  19   2.835  -2.511   2.330
  129    HA   ARG  19           HA       ARG  19   2.654   0.224   2.838
  130    HB2  ARG  19          2HB       ARG  19   3.144  -1.644   4.492
  131    HB3  ARG  19          1HB       ARG  19   4.811  -1.565   3.937
  132    HG2  ARG  19          2HG       ARG  19   4.705   0.917   4.532
  133    HG3  ARG  19          1HG       ARG  19   3.234   0.512   5.416
  134    HD2  ARG  19          2HD       ARG  19   4.979   0.401   6.996
  135    HD3  ARG  19          1HD       ARG  19   4.609  -1.275   6.573
  136    HE   ARG  19           HE       ARG  19   6.765   0.185   5.253
  137   HH11  ARG  19          1HH1      ARG  19   5.713  -2.624   7.170
  138   HH12  ARG  19          2HH1      ARG  19   7.233  -3.369   7.218
  139   HH21  ARG  19          1HH2      ARG  19   8.878  -0.840   5.315
  140   HH22  ARG  19          2HH2      ARG  19   9.118  -2.302   6.144
  141    H    ARG  20           H        ARG  20   5.322  -1.715   1.623
  142    HA   ARG  20           HA       ARG  20   7.409   0.051   1.422
  143    HB2  ARG  20          2HB       ARG  20   7.561  -2.318   0.853
  144    HB3  ARG  20          1HB       ARG  20   6.550  -2.057  -0.550
  145    HG2  ARG  20          2HG       ARG  20   8.317  -0.513  -1.437
  146    HG3  ARG  20          1HG       ARG  20   9.351  -1.055  -0.113
  147    HD2  ARG  20          2HD       ARG  20   9.818  -2.321  -2.130
  148    HD3  ARG  20          1HD       ARG  20   9.117  -3.369  -0.897
  149    HE   ARG  20           HE       ARG  20   6.997  -2.496  -2.425
  150   HH11  ARG  20          1HH1      ARG  20   9.965  -4.318  -3.045
  151   HH12  ARG  20          2HH1      ARG  20   9.324  -5.212  -4.338
  152   HH21  ARG  20          1HH2      ARG  20   6.087  -3.721  -4.259
  153   HH22  ARG  20          2HH2      ARG  20   7.086  -4.864  -5.020
  154    H    GLU  21           H        GLU  21   5.058  -0.658  -1.123
  155    HA   GLU  21           HA       GLU  21   6.073   1.348  -2.816
  156    HB2  GLU  21          2HB       GLU  21   3.541  -0.272  -2.930
  157    HB3  GLU  21          1HB       GLU  21   4.067   0.822  -4.211
  158    HG2  GLU  21          2HG       GLU  21   6.092  -0.436  -4.524
  159    HG3  GLU  21          1HG       GLU  21   5.691  -1.480  -3.166
  160    H    ALA  22           H        ALA  22   3.435   1.284  -0.520
  161    HA   ALA  22           HA       ALA  22   2.261   3.721  -1.279
  162    HB1  ALA  22          1HB       ALA  22   1.207   3.707   0.905
  163    HB2  ALA  22          2HB       ALA  22   2.329   2.462   1.455
  164    HB3  ALA  22          3HB       ALA  22   1.158   2.097   0.185
  165    H    GLU  23           H        GLU  23   4.743   3.018   1.196
  166    HA   GLU  23           HA       GLU  23   4.933   5.771   1.942
  167    HB2  GLU  23          2HB       GLU  23   6.823   5.096   3.351
  168    HB3  GLU  23          1HB       GLU  23   5.453   4.014   3.561
  169    HG2  GLU  23          2HG       GLU  23   6.532   2.382   2.095
  170    HG3  GLU  23          1HG       GLU  23   7.902   3.471   1.908
  171    H    GLU  24           H        GLU  24   6.652   3.763  -0.351
  172    HA   GLU  24           HA       GLU  24   8.659   5.731  -0.845
  173    HB2  GLU  24          2HB       GLU  24   7.748   3.370  -2.495
  174    HB3  GLU  24          1HB       GLU  24   9.096   4.409  -2.936
  175    HG2  GLU  24          2HG       GLU  24   8.909   2.750  -0.427
  176    HG3  GLU  24          1HG       GLU  24   9.843   2.341  -1.864
  177    H    ARG  25           H        ARG  25   5.448   5.241  -1.902
  178    HA   ARG  25           HA       ARG  25   5.551   7.041  -4.128
  179    HB2  ARG  25          2HB       ARG  25   3.866   5.255  -3.961
  180    HB3  ARG  25          1HB       ARG  25   3.225   5.991  -2.506
  181    HG2  ARG  25          2HG       ARG  25   1.784   6.484  -4.364
  182    HG3  ARG  25          1HG       ARG  25   2.573   7.963  -3.826
  183    HD2  ARG  25          2HD       ARG  25   4.129   7.872  -5.641
  184    HD3  ARG  25          1HD       ARG  25   3.545   6.286  -6.127
  185    HE   ARG  25           HE       ARG  25   1.371   7.968  -6.132
  186   HH11  ARG  25          1HH1      ARG  25   4.446   7.824  -7.866
  187   HH12  ARG  25          2HH1      ARG  25   3.810   8.404  -9.336
  188   HH21  ARG  25          1HH2      ARG  25   0.492   8.791  -8.152
  189   HH22  ARG  25          2HH2      ARG  25   1.510   8.982  -9.499
  190    H    CYS  26           H        CYS  26   4.066   7.164  -0.911
  191    HA   CYS  26           HA       CYS  26   3.404   9.891  -0.950
  192    HB2  CYS  26          2HB       CYS  26   3.825   8.006   1.359
  193    HB3  CYS  26          1HB       CYS  26   3.035   9.563   1.492
  194    HN1  NH2  27           HN1      NH2  27   5.708   8.472   1.357
  195    HN2  NH2  27           HN2      NH2  27   6.842   9.761   1.266
  Start of MODEL   20
    1    H1   THR   1          1HT       THR   1  -4.221  -6.396   3.459
    2    H2   THR   1          2HT       THR   1  -4.803  -7.898   3.011
    3    H3   THR   1          3HT       THR   1  -5.693  -6.519   2.645
    4    HA   THR   1           HA       THR   1  -3.003  -7.201   1.650
    5    HB   THR   1           HB       THR   1  -4.744  -8.723   0.709
    6    HG1  THR   1          1HG       THR   1  -2.936  -7.537  -0.632
    7   HG21  THR   1          1HG2      THR   1  -6.688  -7.264   0.839
    8   HG22  THR   1          2HG2      THR   1  -6.465  -7.834  -0.816
    9   HG23  THR   1          3HG2      THR   1  -5.990  -6.194  -0.376
   10    H    CYS   2           H        CYS   2  -5.364  -4.657   2.118
   11    HA   CYS   2           HA       CYS   2  -3.808  -2.950   0.308
   12    HB2  CYS   2          2HB       CYS   2  -6.711  -2.690   1.088
   13    HB3  CYS   2          1HB       CYS   2  -5.832  -1.619  -0.001
   14    H    VAL   3           H        VAL   3  -2.923  -1.180   1.160
   15    HA   VAL   3           HA       VAL   3  -3.672  -0.467   3.911
   16    HB   VAL   3           HB       VAL   3  -1.411   0.343   4.304
   17   HG11  VAL   3          1HG1      VAL   3  -1.396  -2.479   3.268
   18   HG12  VAL   3          2HG1      VAL   3  -1.831  -1.955   4.894
   19   HG13  VAL   3          3HG1      VAL   3  -0.170  -1.773   4.322
   20   HG21  VAL   3          1HG2      VAL   3  -0.791  -0.617   1.514
   21   HG22  VAL   3          2HG2      VAL   3   0.410  -0.087   2.686
   22   HG23  VAL   3          3HG2      VAL   3  -0.791   1.056   2.075
   23    H    GLU   4           H        GLU   4  -3.274   1.834   4.432
   24    HA   GLU   4           HA       GLU   4  -4.017   3.488   2.130
   25    HB2  GLU   4          2HB       GLU   4  -4.508   3.991   5.074
   26    HB3  GLU   4          1HB       GLU   4  -4.978   5.056   3.771
   27    HG2  GLU   4          2HG       GLU   4  -6.936   3.950   4.468
   28    HG3  GLU   4          1HG       GLU   4  -6.470   3.194   2.951
   29    H    CYS   5           H        CYS   5  -2.687   5.117   1.579
   30    HA   CYS   5           HA       CYS   5  -0.918   6.239   3.614
   31    HB2  CYS   5          2HB       CYS   5   0.466   4.734   2.222
   32    HB3  CYS   5          1HB       CYS   5  -0.099   5.562   0.772
   33    H    DAL   6           H        DAL   6  -1.988   8.067   3.853
   34    HA   DAL   6           HA       DAL   6  -1.759  10.167   2.114
   35    HB1  DAL   6          1HB       DAL   6  -3.884   9.895   4.244
   36    HB2  DAL   6          2HB       DAL   6  -3.307  11.393   3.524
   37    HB3  DAL   6          3HB       DAL   6  -2.223  10.419   4.514
   38    HA   DPR   7           HA       DPR   7  -6.075   9.599   0.222
   39    HB2  DPR   7          1HB       DPR   7  -7.722   7.599   0.821
   40    HB3  DPR   7          2HB       DPR   7  -7.537   8.973   1.921
   41    HG2  DPR   7          1HG       DPR   7  -6.315   6.238   2.064
   42    HG3  DPR   7          2HG       DPR   7  -7.048   7.199   3.360
   43    HD2  DPR   7          1HD       DPR   7  -4.330   7.038   2.884
   44    HD3  DPR   7          2HD       DPR   7  -5.130   8.377   3.726
   45    H    VAL   8           H        VAL   8  -3.576   7.670  -0.055
   46    HA   VAL   8           HA       VAL   8  -4.585   6.436  -2.473
   47    HB   VAL   8           HB       VAL   8  -1.753   6.494  -1.373
   48   HG11  VAL   8          1HG1      VAL   8  -1.064   5.888  -3.648
   49   HG12  VAL   8          2HG1      VAL   8  -2.756   5.786  -4.132
   50   HG13  VAL   8          3HG1      VAL   8  -2.111   4.656  -2.941
   51   HG21  VAL   8          1HG2      VAL   8  -3.047   8.252  -3.455
   52   HG22  VAL   8          2HG2      VAL   8  -1.335   8.248  -3.045
   53   HG23  VAL   8          3HG2      VAL   8  -2.528   8.747  -1.844
   54    H    LYS   9           H        LYS   9  -5.125   4.357  -2.582
   55    HA   LYS   9           HA       LYS   9  -4.455   2.681  -0.294
   56    HB2  LYS   9          2HB       LYS   9  -6.365   1.281  -0.979
   57    HB3  LYS   9          1HB       LYS   9  -6.854   2.921  -0.585
   58    HG2  LYS   9          2HG       LYS   9  -6.969   3.439  -2.998
   59    HG3  LYS   9          1HG       LYS   9  -6.532   1.769  -3.363
   60    HD2  LYS   9          2HD       LYS   9  -9.000   2.703  -1.893
   61    HD3  LYS   9          1HD       LYS   9  -8.938   2.131  -3.555
   62    HE2  LYS   9          2HE       LYS   9  -8.225  -0.079  -2.789
   63    HE3  LYS   9          1HE       LYS   9  -8.221   0.485  -1.122
   64    HZ1  LYS   9          1HZ       LYS   9 -10.217  -0.710  -1.567
   65    HZ2  LYS   9          2HZ       LYS   9 -10.590   0.257  -2.892
   66    HZ3  LYS   9          3HZ       LYS   9 -10.612   0.915  -1.342
   67    H    VAL  10           H        VAL  10  -2.993   1.193  -0.589
   68    HA   VAL  10           HA       VAL  10  -2.489   0.306  -3.340
   69    HB   VAL  10           HB       VAL  10  -0.452   0.476  -1.094
   70   HG11  VAL  10          1HG1      VAL  10  -0.145  -0.335  -3.986
   71   HG12  VAL  10          2HG1      VAL  10   0.023  -1.392  -2.582
   72   HG13  VAL  10          3HG1      VAL  10   1.180  -0.086  -2.856
   73   HG21  VAL  10          1HG2      VAL  10  -1.024   2.678  -1.952
   74   HG22  VAL  10          2HG2      VAL  10  -0.764   2.114  -3.601
   75   HG23  VAL  10          3HG2      VAL  10   0.596   2.216  -2.485
   76    H    CYS  11           H        CYS  11  -2.600  -1.764  -3.752
   77    HA   CYS  11           HA       CYS  11  -3.084  -3.562  -1.509
   78    HB2  CYS  11          2HB       CYS  11  -4.231  -3.644  -4.307
   79    HB3  CYS  11          1HB       CYS  11  -4.572  -4.778  -3.003
   80    H    ARG  12           H        ARG  12  -1.672  -5.111  -1.295
   81    HA   ARG  12           HA       ARG  12  -0.366  -6.339  -3.586
   82    HB2  ARG  12          2HB       ARG  12   1.093  -5.118  -1.218
   83    HB3  ARG  12          1HB       ARG  12   1.813  -6.351  -2.223
   84    HG2  ARG  12          2HG       ARG  12   0.911  -3.641  -3.181
   85    HG3  ARG  12          1HG       ARG  12   2.570  -4.085  -2.784
   86    HD2  ARG  12          2HD       ARG  12   2.427  -5.872  -4.533
   87    HD3  ARG  12          1HD       ARG  12   0.850  -5.225  -4.989
   88    HE   ARG  12           HE       ARG  12   2.516  -3.092  -5.044
   89   HH11  ARG  12          1HH1      ARG  12   2.335  -6.171  -6.809
   90   HH12  ARG  12          2HH1      ARG  12   3.277  -5.632  -8.116
   91   HH21  ARG  12          1HH2      ARG  12   3.846  -2.382  -6.816
   92   HH22  ARG  12          2HH2      ARG  12   4.125  -3.433  -8.130
   93    HA   PRO  13           HA       PRO  13  -1.238 -10.085  -1.340
   94    HB2  PRO  13          2HB       PRO  13   1.200 -11.394  -1.445
   95    HB3  PRO  13          1HB       PRO  13   0.006 -11.399  -2.746
   96    HG2  PRO  13          2HG       PRO  13   2.421  -9.659  -2.401
   97    HG3  PRO  13          1HG       PRO  13   1.837 -10.476  -3.862
   98    HD2  PRO  13          2HD       PRO  13   1.404  -7.900  -3.551
   99    HD3  PRO  13          1HD       PRO  13   0.102  -8.942  -4.163
  100    H    ASP  14           H        ASP  14   1.620  -8.315  -0.485
  101    HA   ASP  14           HA       ASP  14   1.477  -9.362   2.260
  102    HB2  ASP  14          2HB       ASP  14   3.846  -8.179   0.799
  103    HB3  ASP  14          1HB       ASP  14   3.862  -8.684   2.480
  104    HA   PRO  15           HA       PRO  15   0.148  -5.245   3.336
  105    HB2  PRO  15          2HB       PRO  15   0.926  -5.300   5.987
  106    HB3  PRO  15          1HB       PRO  15  -0.586  -5.980   5.382
  107    HG2  PRO  15          2HG       PRO  15   1.991  -7.350   6.015
  108    HG3  PRO  15          1HG       PRO  15   0.331  -7.894   6.316
  109    HD2  PRO  15          2HD       PRO  15   1.781  -8.870   4.280
  110    HD3  PRO  15          1HD       PRO  15   0.033  -8.600   4.138
  111    H    GLU  16           H        GLU  16   3.357  -6.365   4.402
  112    HA   GLU  16           HA       GLU  16   4.401  -3.767   4.795
  113    HB2  GLU  16          2HB       GLU  16   5.352  -5.769   5.852
  114    HB3  GLU  16          1HB       GLU  16   5.824  -6.370   4.272
  115    HG2  GLU  16          2HG       GLU  16   7.405  -4.634   3.993
  116    HG3  GLU  16          1HG       GLU  16   6.837  -3.809   5.443
  117    H    GLU  17           H        GLU  17   4.240  -5.940   2.087
  118    HA   GLU  17           HA       GLU  17   5.971  -4.563   0.318
  119    HB2  GLU  17          2HB       GLU  17   5.065  -6.876   0.014
  120    HB3  GLU  17          1HB       GLU  17   3.501  -6.168  -0.379
  121    HG2  GLU  17          2HG       GLU  17   4.557  -6.736  -2.407
  122    HG3  GLU  17          1HG       GLU  17   4.665  -4.983  -2.258
  123    H    ALA  18           H        ALA  18   2.490  -4.489   0.913
  124    HA   ALA  18           HA       ALA  18   1.781  -2.535  -0.949
  125    HB1  ALA  18          1HB       ALA  18  -0.283  -2.306   0.314
  126    HB2  ALA  18          2HB       ALA  18   0.447  -3.118   1.696
  127    HB3  ALA  18          3HB       ALA  18   0.154  -4.012   0.207
  128    H    ARG  19           H        ARG  19   2.680  -2.267   2.464
  129    HA   ARG  19           HA       ARG  19   2.418   0.496   2.768
  130    HB2  ARG  19          2HB       ARG  19   2.834  -0.940   4.690
  131    HB3  ARG  19          1HB       ARG  19   4.417  -1.365   4.041
  132    HG2  ARG  19          2HG       ARG  19   5.081   1.010   4.198
  133    HG3  ARG  19          1HG       ARG  19   3.545   1.352   4.984
  134    HD2  ARG  19          2HD       ARG  19   4.124  -0.006   6.853
  135    HD3  ARG  19          1HD       ARG  19   5.557  -0.626   6.025
  136    HE   ARG  19           HE       ARG  19   5.760   2.132   6.064
  137   HH11  ARG  19          1HH1      ARG  19   5.730  -0.447   8.480
  138   HH12  ARG  19          2HH1      ARG  19   6.801   0.340   9.540
  139   HH21  ARG  19          1HH2      ARG  19   7.123   3.222   7.476
  140   HH22  ARG  19          2HH2      ARG  19   7.596   2.552   8.976
  141    H    ARG  20           H        ARG  20   5.273  -1.394   1.849
  142    HA   ARG  20           HA       ARG  20   7.013   0.740   1.560
  143    HB2  ARG  20          2HB       ARG  20   6.996  -1.958   0.251
  144    HB3  ARG  20          1HB       ARG  20   8.290  -0.804  -0.014
  145    HG2  ARG  20          2HG       ARG  20   8.723  -0.784   2.413
  146    HG3  ARG  20          1HG       ARG  20   7.463  -2.003   2.618
  147    HD2  ARG  20          2HD       ARG  20   9.697  -2.990   2.568
  148    HD3  ARG  20          1HD       ARG  20   8.705  -3.552   1.221
  149    HE   ARG  20           HE       ARG  20   9.991  -1.538   0.079
  150   HH11  ARG  20          1HH1      ARG  20  11.266  -4.143   2.108
  151   HH12  ARG  20          2HH1      ARG  20  12.805  -4.134   1.381
  152   HH21  ARG  20          1HH2      ARG  20  12.078  -1.528  -0.897
  153   HH22  ARG  20          2HH2      ARG  20  13.290  -2.607  -0.376
  154    H    GLU  21           H        GLU  21   4.994  -0.806  -0.893
  155    HA   GLU  21           HA       GLU  21   5.649   0.759  -3.100
  156    HB2  GLU  21          2HB       GLU  21   3.021  -0.415  -2.240
  157    HB3  GLU  21          1HB       GLU  21   3.269   0.316  -3.820
  158    HG2  GLU  21          2HG       GLU  21   4.739  -2.072  -2.738
  159    HG3  GLU  21          1HG       GLU  21   3.356  -2.136  -3.827
  160    H    ALA  22           H        ALA  22   3.126   1.217  -0.681
  161    HA   ALA  22           HA       ALA  22   1.989   3.542  -1.677
  162    HB1  ALA  22          1HB       ALA  22   0.882   3.716   0.440
  163    HB2  ALA  22          2HB       ALA  22   2.048   2.622   1.183
  164    HB3  ALA  22          3HB       ALA  22   0.942   2.023  -0.052
  165    H    GLU  23           H        GLU  23   4.228   3.281   1.111
  166    HA   GLU  23           HA       GLU  23   4.251   6.106   1.298
  167    HB2  GLU  23          2HB       GLU  23   5.979   5.896   3.037
  168    HB3  GLU  23          1HB       GLU  23   4.566   4.902   3.335
  169    HG2  GLU  23          2HG       GLU  23   5.761   2.927   2.706
  170    HG3  GLU  23          1HG       GLU  23   7.146   3.884   2.178
  171    H    GLU  24           H        GLU  24   6.268   3.901  -0.449
  172    HA   GLU  24           HA       GLU  24   8.350   5.807  -0.844
  173    HB2  GLU  24          2HB       GLU  24   8.676   3.356  -1.128
  174    HB3  GLU  24          1HB       GLU  24   7.633   3.401  -2.535
  175    HG2  GLU  24          2HG       GLU  24   9.227   4.788  -3.713
  176    HG3  GLU  24          1HG       GLU  24  10.246   4.876  -2.277
  177    H    ARG  25           H        ARG  25   5.334   5.011  -2.472
  178    HA   ARG  25           HA       ARG  25   5.818   6.839  -4.609
  179    HB2  ARG  25          2HB       ARG  25   4.212   4.962  -4.884
  180    HB3  ARG  25          1HB       ARG  25   3.152   5.720  -3.696
  181    HG2  ARG  25          2HG       ARG  25   2.994   7.708  -5.144
  182    HG3  ARG  25          1HG       ARG  25   3.979   6.883  -6.342
  183    HD2  ARG  25          2HD       ARG  25   2.244   5.162  -6.558
  184    HD3  ARG  25          1HD       ARG  25   1.259   6.022  -5.366
  185    HE   ARG  25           HE       ARG  25   2.103   7.677  -7.520
  186   HH11  ARG  25          1HH1      ARG  25  -0.407   5.357  -6.605
  187   HH12  ARG  25          2HH1      ARG  25  -1.553   5.973  -7.718
  188   HH21  ARG  25          1HH2      ARG  25   0.496   8.524  -9.008
  189   HH22  ARG  25          2HH2      ARG  25  -1.039   7.780  -9.072
  190    H    CYS  26           H        CYS  26   4.080   6.992  -1.547
  191    HA   CYS  26           HA       CYS  26   2.991   9.529  -1.804
  192    HB2  CYS  26          2HB       CYS  26   3.948   8.114   0.690
  193    HB3  CYS  26          1HB       CYS  26   2.994   9.588   0.702
  194    HN1  NH2  27           HN1      NH2  27   5.892   8.895   0.182
  195    HN2  NH2  27           HN2      NH2  27   6.649  10.398  -0.208