*HEADER    DE NOVO PROTEIN                         19-JUL-16   5KWX              
*TITLE     NMR SOLUTION STRUCTURE OF DESIGNED PEPTIDE NC_EEH_D1                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DESIGNED PEPTIDE NC_EEH_D1;                                
*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    DESIGNED PEPTIDE, DE NOVO PROTEIN                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.J.HARVEY,D.J.CRAIK                                                  
*REVDAT   1   21-SEP-16 5KWX    0                                                
# Restraints file 1: design16pdb.restraints
!distance restraints
assign (resid  13 and name  HD2)   (resid  14 and name   HN)   2.820    1.020    1.020  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.675    0.875    0.875  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.955    1.155    1.155  
assign (resid  11 and name HG2#)   (resid  12 and name   HN)   2.775    0.975    0.975  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.355    0.555    0.555  
assign (resid  11 and name   HB)   (resid  12 and name   HN)   2.995    1.195    1.195  
assign (resid  12 and name   HN)   (resid  12 and name  HD#)   3.075    1.275    1.275  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.395    0.595    0.595  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.225    1.425    1.425  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   3.225    1.425    1.425  
assign (resid  14 and name   HN)   (resid  14 and name HG2#)   2.815    1.015    1.015  
assign (resid  11 and name   HN)   (resid  11 and name HG2#)   2.985    1.185    1.185  
assign (resid  11 and name   HN)   (resid  11 and name   HB)   2.730    0.930    0.930  
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.975    1.175    1.175  
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.975    1.175    1.175  
assign (resid  10 and name   HA)   (resid  10 and name  HE#)   3.205    1.405    1.405  
assign (resid   3 and name  HE#)   (resid  10 and name  HB2)   3.230    1.430    1.430  
assign (resid  10 and name   HN)   (resid  10 and name  HD#)   3.180    1.380    1.380  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.350    0.550    0.550  
assign (resid   9 and name   HN)   (resid   9 and name   HB)   2.610    0.810    0.810  
assign (resid   9 and name HG2#)   (resid  10 and name   HN)   2.755    0.955    0.955  
assign (resid   9 and name   HN)   (resid   9 and name HG2#)   3.115    1.315    1.315  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   3.195    1.395    1.395  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.345    0.545    0.545  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.950    1.150    1.150  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.950    1.150    1.150  
assign (resid   4 and name   HB)   (resid   5 and name   HN)   3.025    1.225    1.225  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.350    0.550    0.550  
assign (resid   4 and name HG2#)   (resid   5 and name   HN)   2.830    1.030    1.030  
assign (resid   4 and name   HN)   (resid   4 and name HG2#)   2.955    1.155    1.155  
assign (resid   4 and name   HN)   (resid   4 and name   HB)   2.710    0.910    0.910  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   3.270    1.470    1.470  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.410    0.610    0.610  
assign (resid   3 and name   HA)   (resid   3 and name  HD#)   2.900    1.100    1.100  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.415    0.615    0.615  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   2.790    0.990    0.990  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   2.790    0.990    0.990  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.985    1.185    1.185  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.985    1.185    1.185  
assign (resid   1 and name  HB2)   (resid   2 and name   HN)   3.270    1.470    1.470  
assign (resid   1 and name  HB1)   (resid   2 and name   HN)   3.270    1.470    1.470  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.440    0.640    0.640  
assign (resid  14 and name HG2#)   (resid  15 and name   HN)   3.135    1.335    1.335  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.530    0.730    0.730  
assign (resid  14 and name   HB)   (resid  15 and name   HN)   2.945    1.145    1.145  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.795    0.995    0.995  
assign (resid  16 and name   HN)   (resid  16 and name  HG2)   3.155    1.355    1.355  
assign (resid  16 and name   HN)   (resid  16 and name  HG1)   3.155    1.355    1.355  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.730    0.930    0.930  
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.730    0.930    0.930  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.745    0.945    0.945  
assign (resid  17 and name   HN)   (resid  17 and name  HG2)   3.550    1.750    1.750  
assign (resid  17 and name   HN)   (resid  17 and name  HG1)   3.550    1.750    1.750  
assign (resid  17 and name   HN)   (resid  17 and name  HB2)   2.840    1.040    1.040  
assign (resid  17 and name   HN)   (resid  17 and name  HB1)   2.840    1.040    1.040  
assign (resid  18 and name   HN)   (resid  18 and name  HB#)   2.490    0.690    0.690  
assign (resid  17 and name  HG2)   (resid  18 and name   HN)   3.650    1.850    1.850  
assign (resid  17 and name  HG1)   (resid  18 and name   HN)   3.650    1.850    1.850  
assign (resid  15 and name   HA)   (resid  18 and name   HN)   3.115    1.315    1.315  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.640    0.840    0.840  
assign (resid  18 and name  HB#)   (resid  19 and name   HN)   2.735    0.935    0.935  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.530    0.730    0.730  
assign (resid  19 and name   HN)   (resid  19 and name  HE2)   3.650    1.850    1.850  
assign (resid  19 and name   HN)   (resid  19 and name  HE1)   3.650    1.850    1.850  
assign (resid  20 and name   HN)   (resid  20 and name  HD2)   3.650    1.850    1.850  
assign (resid  20 and name   HN)   (resid  20 and name  HD1)   3.650    1.850    1.850  
assign (resid  20 and name   HN)   (resid  20 and name  HG2)   3.300    1.500    1.500  
assign (resid  20 and name   HN)   (resid  20 and name  HG1)   3.300    1.500    1.500  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.875    1.075    1.075  
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.875    1.075    1.075  
assign (resid  21 and name   HN)   (resid  21 and name  HG2)   3.650    1.850    1.850  
assign (resid  21 and name   HN)   (resid  21 and name  HG1)   3.650    1.850    1.850  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   2.740    0.940    0.940  
assign (resid   2 and name   HA)   (resid  12 and name   HN)   3.070    1.270    1.270  
assign (resid  21 and name   HA)   (resid  22 and name   HN)   2.555    0.755    0.755  
assign (resid  21 and name  HB2)   (resid  22 and name   HN)   3.185    1.385    1.385  
assign (resid  22 and name   HN)   (resid  22 and name  HG2)   3.620    1.820    1.820  
assign (resid  22 and name   HN)   (resid  22 and name  HG1)   3.620    1.820    1.820  
assign (resid  21 and name  HB1)   (resid  22 and name   HN)   3.185    1.385    1.385  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   3.025    1.225    1.225  
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.495    0.695    0.695  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   3.365    1.565    1.565  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   3.450    1.650    1.650  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   2.480    0.680    0.680  
assign (resid  24 and name   HN)   (resid  24 and name  HB2)   2.935    1.135    1.135  
assign (resid  24 and name   HN)   (resid  24 and name  HB1)   2.935    1.135    1.135  
assign (resid  24 and name   HN)   (resid  24 and name  HG2)   3.645    1.845    1.845  
assign (resid  24 and name   HN)   (resid  24 and name  HG1)   3.645    1.845    1.845  
assign (resid  24 and name   HA)   (resid  25 and name   HN)   2.655    0.855    0.855  
assign (resid   3 and name  HD#)   (resid   4 and name   HN)   3.025    1.225    1.225  
assign (resid   4 and name   HA)   (resid   9 and name HG2#)   3.295    1.495    1.495  
assign (resid   5 and name   HN)   (resid   8 and name  HB2)   3.585    1.785    1.785  
assign (resid   5 and name   HN)   (resid   8 and name  HB1)   3.585    1.785    1.785  
assign (resid   3 and name  HE#)   (resid   5 and name   HN)   3.155    1.355    1.355  
assign (resid   5 and name   HN)   (resid   8 and name   HN)   3.035    1.235    1.235  
assign (resid   5 and name  HB1)   (resid  10 and name  HD#)   3.360    1.560    1.560  
assign (resid   3 and name  HE#)   (resid   5 and name  HB1)   2.940    1.140    1.140  
assign (resid   3 and name  HE#)   (resid   4 and name   HA)   3.455    1.655    1.655  
assign (resid  10 and name  HD#)   (resid  11 and name   HN)   3.235    1.435    1.435  
assign (resid  12 and name  HD#)   (resid  18 and name   HA)   3.025    1.225    1.225  
assign (resid  12 and name  HE#)   (resid  13 and name  HD2)   3.245    1.445    1.445  
assign (resid  12 and name  HB1)   (resid  14 and name   HN)   3.015    1.215    1.215  
assign (resid  14 and name   HN)   (resid  17 and name   HN)   3.420    1.620    1.620  
assign (resid   1 and name  HB1)   (resid  15 and name   HA)   3.210    1.410    1.410  
assign (resid  14 and name HG2#)   (resid  16 and name   HN)   3.130    1.330    1.330  
assign (resid  14 and name   HB)   (resid  16 and name   HN)   2.745    0.945    0.945  
assign (resid  16 and name   HN)   (resid  18 and name   HN)   3.235    1.435    1.435  
assign (resid  14 and name   HB)   (resid  17 and name   HN)   3.355    1.555    1.555  
assign (resid  12 and name  HB1)   (resid  18 and name  HB#)   3.130    1.330    1.330  
assign (resid  19 and name   HN)   (resid  19 and name  HD2)   3.650    1.850    1.850  
assign (resid  19 and name   HN)   (resid  19 and name  HD1)   3.650    1.850    1.850  
assign (resid   3 and name  HE#)   (resid  24 and name   HN)   3.320    1.520    1.520  
assign (resid   4 and name   HA)   (resid   4 and name HG2#)   2.645    0.845    0.845  
assign (resid   4 and name HG2#)   (resid   9 and name   HA)   2.915    1.115    1.115  
assign (resid   9 and name   HA)   (resid   9 and name HG2#)   2.630    0.830    0.830  
assign (resid   5 and name   HA)   (resid  25 and name  HB2)   3.230    1.430    1.430  
assign (resid   5 and name   HA)   (resid  25 and name  HB1)   3.230    1.430    1.430  
assign (resid   5 and name   HA)   (resid   6 and name  HD2)   2.685    0.885    0.885  
assign (resid   5 and name   HA)   (resid   6 and name  HD1)   2.685    0.885    0.885  
assign (resid   5 and name   HA)   (resid   6 and name  HB1)   3.355    1.555    1.555  
assign (resid   4 and name HG2#)   (resid   5 and name   HA)   3.375    1.575    1.575  
assign (resid  10 and name   HA)   (resid  10 and name  HD#)   2.795    0.995    0.995  
assign (resid   9 and name   HA)   (resid  10 and name  HD#)   3.650    1.850    1.850  
assign (resid   5 and name  HB2)   (resid  10 and name  HD#)   3.360    1.560    1.560  
assign (resid   3 and name  HE#)   (resid   5 and name  HB2)   2.940    1.140    1.140  
assign (resid   3 and name  HE#)   (resid  10 and name  HB1)   3.230    1.430    1.430  
assign (resid  11 and name   HA)   (resid  11 and name HG2#)   2.670    0.870    0.870  
assign (resid  12 and name   HA)   (resid  13 and name  HD2)   2.370    0.570    0.570  
assign (resid  12 and name   HA)   (resid  13 and name  HD1)   2.505    0.705    0.705  
assign (resid  12 and name  HB1)   (resid  13 and name  HD2)   2.855    1.055    1.055  
assign (resid  12 and name  HB2)   (resid  13 and name  HD2)   2.980    1.180    1.180  
assign (resid  12 and name   HA)   (resid  12 and name  HE#)   3.330    1.530    1.530  
assign (resid  12 and name   HA)   (resid  12 and name  HD#)   2.705    0.905    0.905  
assign (resid  11 and name   HA)   (resid  12 and name  HD#)   3.650    1.850    1.850  
assign (resid  12 and name  HD#)   (resid  13 and name  HD2)   2.725    0.925    0.925  
assign (resid  12 and name  HD#)   (resid  21 and name  HG2)   3.650    1.850    1.850  
assign (resid  12 and name  HD#)   (resid  21 and name  HG1)   3.650    1.850    1.850  
assign (resid  12 and name  HE#)   (resid  18 and name  HB#)   2.905    1.105    1.105  
assign (resid  12 and name  HD#)   (resid  18 and name  HB#)   2.650    0.850    0.850  
assign (resid  14 and name   HA)   (resid  14 and name HG2#)   2.615    0.815    0.815  
assign (resid  15 and name   HA)   (resid  18 and name  HB#)   2.705    0.905    0.905  
assign (resid   1 and name  HB2)   (resid  15 and name   HA)   3.210    1.410    1.410  
assign (resid  18 and name  HB#)   (resid  19 and name   HA)   3.160    1.360    1.360  
assign (resid  19 and name   HA)   (resid  19 and name  HD2)   3.565    1.765    1.765  
assign (resid  19 and name   HA)   (resid  19 and name  HD1)   3.565    1.765    1.765  
assign (resid  19 and name  HB#)   (resid  19 and name  HE2)   3.320    1.520    1.520  
assign (resid  19 and name  HB#)   (resid  19 and name  HE1)   3.320    1.520    1.520  
assign (resid  22 and name   HA)   (resid  22 and name  HD#)   3.100    1.300    1.300  
assign (resid  23 and name   HA)   (resid  23 and name  HD2)   3.650    1.850    1.850  
assign (resid  23 and name   HA)   (resid  23 and name  HD1)   3.650    1.850    1.850  
assign (resid  24 and name   HA)   (resid  24 and name  HD2)   3.435    1.635    1.635  
assign (resid  24 and name   HA)   (resid  24 and name  HD1)   3.435    1.635    1.635  
assign (resid  12 and name  HB2)   (resid  18 and name  HB#)   2.865    1.065    1.065  
assign (resid   2 and name   HA)   (resid  11 and name HG2#)   3.165    1.365    1.365  
assign (resid   1 and name  HB#)   (resid   2 and name   HN)   2.985    1.185    1.185  
assign (resid   1 and name  HB#)   (resid  12 and name   HN)   3.285    1.485    1.485  
assign (resid   1 and name  HB#)   (resid  12 and name  HB2)   3.095    1.295    1.295  
assign (resid   1 and name  HB#)   (resid  12 and name  HD#)   3.195    1.395    1.395  
assign (resid   1 and name  HB#)   (resid  15 and name   HA)   2.835    1.035    1.035  
assign (resid   1 and name  HB#)   (resid  18 and name  HB#)   2.975    1.175    1.175  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.705    0.905    0.905  
assign (resid   2 and name  HB#)   (resid  11 and name   HA)   3.335    1.535    1.535  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.680    0.880    0.880  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.655    0.855    0.855  
assign (resid   3 and name  HB#)   (resid  10 and name  HB#)   3.025    1.225    1.225  
assign (resid   3 and name  HE#)   (resid   5 and name  HB#)   2.680    0.880    0.880  
assign (resid   3 and name  HE#)   (resid  10 and name  HB#)   2.860    1.060    1.060  
assign (resid   3 and name  HE#)   (resid  23 and name  HB#)   2.755    0.955    0.955  
assign (resid   3 and name  HE#)   (resid  23 and name  HD#)   2.985    1.185    1.185  
assign (resid   4 and name HG2#)   (resid   6 and name  HD#)   2.855    1.055    1.055  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.665    0.865    0.865  
assign (resid   5 and name   HN)   (resid   8 and name  HB#)   3.220    1.420    1.420  
assign (resid   5 and name   HA)   (resid   6 and name  HD#)   2.400    0.600    0.600  
assign (resid   6 and name   HA)   (resid   7 and name  HG#)   3.010    1.210    1.210  
assign (resid   6 and name  HB2)   (resid   7 and name  HD#)   2.985    1.185    1.185  
assign (resid   6 and name  HD#)   (resid  25 and name  HB#)   3.070    1.270    1.270  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   2.875    1.075    1.075  
assign (resid   7 and name  HG#)   (resid   8 and name   HN)   2.790    0.990    0.990  
assign (resid   7 and name  HD#)   (resid   8 and name   HN)   2.730    0.930    0.930  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.720    0.920    0.920  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.545    0.745    0.745  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   2.850    1.050    1.050  
assign (resid  12 and name   HA)   (resid  13 and name  HB#)   3.340    1.540    1.540  
assign (resid  12 and name  HD#)   (resid  21 and name  HB#)   3.300    1.500    1.500  
assign (resid  12 and name  HE#)   (resid  21 and name  HB#)   3.155    1.355    1.355  
assign (resid  12 and name  HE#)   (resid  21 and name  HG#)   3.020    1.220    1.220  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.760    0.960    0.960  
assign (resid  13 and name  HG#)   (resid  14 and name   HN)   3.015    1.215    1.215  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.605    0.805    0.805  
assign (resid  15 and name  HB#)   (resid  16 and name   HN)   2.970    1.170    1.170  
assign (resid  15 and name  HB#)   (resid  18 and name  HB#)   2.950    1.150    1.150  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.460    0.660    0.660  
assign (resid  17 and name   HN)   (resid  17 and name  HB#)   2.495    0.695    0.695  
assign (resid  17 and name   HN)   (resid  17 and name  HG#)   3.170    1.370    1.370  
assign (resid  19 and name   HN)   (resid  19 and name  HG#)   2.850    1.050    1.050  
assign (resid  19 and name   HA)   (resid  19 and name  HD#)   3.210    1.410    1.410  
assign (resid  19 and name  HB#)   (resid  19 and name  HE#)   2.985    1.185    1.185  
assign (resid  20 and name   HN)   (resid  20 and name  HB#)   2.545    0.745    0.745  
assign (resid  20 and name   HN)   (resid  20 and name  HG#)   2.985    1.185    1.185  
assign (resid  20 and name  HD#)   (resid  21 and name   HN)   3.570    1.770    1.770  
assign (resid  21 and name   HN)   (resid  21 and name  HB#)   2.485    0.685    0.685  
assign (resid  21 and name   HN)   (resid  21 and name  HG#)   3.265    1.465    1.465  
assign (resid  21 and name  HB#)   (resid  22 and name   HN)   2.910    1.110    1.110  
assign (resid  22 and name   HN)   (resid  22 and name  HB#)   2.635    0.835    0.835  
assign (resid  22 and name   HN)   (resid  22 and name  HG#)   3.195    1.395    1.395  
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   2.940    1.140    1.140  
assign (resid  23 and name   HN)   (resid  23 and name  HG#)   2.940    1.140    1.140  
assign (resid  23 and name   HN)   (resid  23 and name  HD#)   3.570    1.770    1.770  
assign (resid  23 and name   HA)   (resid  23 and name  HD#)   3.235    1.435    1.435  
assign (resid  23 and name  HG#)   (resid  24 and name   HN)   3.240    1.440    1.440  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.540    0.740    0.740  
assign (resid  24 and name   HN)   (resid  24 and name  HG#)   3.260    1.460    1.460  
assign (resid  24 and name   HA)   (resid  24 and name  HD#)   3.070    1.270    1.270  
assign (resid  24 and name  HB#)   (resid  24 and name  HG#)   2.075    0.275    0.275  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   3.100    1.300    1.300  
assign (resid  24 and name  HG#)   (resid  24 and name HH1#)   3.230    1.430    1.430  
assign (resid  24 and name  HG#)   (resid  25 and name   HN)   3.570    1.770    1.770  
assign (resid  24 and name  HD#)   (resid  24 and name HH1#)   2.725    0.925    0.925  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.635    0.835    0.835  
!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 -130.0   30.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  140.0   40.0 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -130.0   30.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  145.0   30.0 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0 -120.0   30.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  135.0   30.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0 -110.0   30.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  110.0   40.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0 -120.0   60.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  120.0   60.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0 -100.0   40.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  120.0   30.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0 -100.0   30.0 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  130.0   30.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -100.0   60.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  120.0   60.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )    
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -70.0   30.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -30.0   30.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -60.0   30.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -40.0   30.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -60.0   30.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -40.0   30.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -70.0   30.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -30.0   30.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -70.0   30.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  -35.0   30.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -80.0   40.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  -20.0   40.0 2
assign (resid    1 and name N    ) (resid    1 and name CA   )
       (resid    1 and name CB   ) (resid    1 and name SG   )    1.0 -120.0   90.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name CB   ) (resid    2 and name OG   )    1.0 -120.0   90.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name CB   ) (resid   10 and name CG   )    1.0  180.0   30.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name CB   ) (resid   12 and name CG   )    1.0  180.0   30.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name CB   ) (resid   15 and name SG   )    1.0  180.0   30.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name CB   ) (resid   20 and name CG   )    1.0  180.0   30.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name CB   ) (resid   21 and name CG   )    1.0  180.0   30.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name CB   ) (resid   24 and name CG   )    1.0  180.0   30.0 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 18 and name HN)(resid 14 and name O) 0 0 2
assign (resid 18 and name N)(resid 14 and name O) 0 0 3
assign (resid 20 and name HN)(resid 17 and name O) 0 0 2
assign (resid 20 and name N)(resid 17 and name O) 0 0 3
assign (resid 21 and name HN)(resid 17 and name O) 0 0 2
assign (resid 21 and name N)(resid 17 and name O) 0 0 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1          1HT       CYS   1  -2.909  -3.958   6.840
    2    H2   CYS   1          2HT       CYS   1  -2.404  -5.523   6.418
    3    H3   CYS   1          3HT       CYS   1  -3.889  -4.906   5.867
    4    HA   CYS   1           HA       CYS   1  -1.301  -3.748   5.234
    5    HB2  CYS   1          2HB       CYS   1  -2.984  -5.683   3.647
    6    HB3  CYS   1          1HB       CYS   1  -1.716  -4.695   2.928
    7    H    SER   2           H        SER   2  -2.186  -1.778   5.789
    8    HA   SER   2           HA       SER   2  -3.864  -0.654   3.703
    9    HB2  SER   2          2HB       SER   2  -3.980  -0.067   6.681
   10    HB3  SER   2          1HB       SER   2  -4.941   0.730   5.434
   11    HG   SER   2           HG       SER   2  -6.209  -0.894   5.336
   12    H    TYR   3           H        TYR   3  -3.426   1.684   3.561
   13    HA   TYR   3           HA       TYR   3  -0.932   2.587   4.747
   14    HB2  TYR   3          2HB       TYR   3  -0.276   1.578   2.607
   15    HB3  TYR   3          1HB       TYR   3  -1.523   2.464   1.768
   16    HD1  TYR   3          1HD       TYR   3  -1.146   4.669   1.008
   17    HD2  TYR   3          2HD       TYR   3   1.689   2.804   3.571
   18    HE1  TYR   3          1HE       TYR   3   0.396   6.469   0.576
   19    HE2  TYR   3          2HE       TYR   3   3.267   4.623   3.153
   20    HH   TYR   3           HH       TYR   3   2.374   7.505   1.865
   21    H    THR   4           H        THR   4  -0.849   4.941   4.690
   22    HA   THR   4           HA       THR   4  -3.427   6.118   3.954
   23    HB   THR   4           HB       THR   4  -1.625   7.064   6.194
   24    HG1  THR   4          1HG       THR   4  -2.620   4.954   6.513
   25   HG21  THR   4          1HG2      THR   4  -3.115   8.767   5.211
   26   HG22  THR   4          2HG2      THR   4  -3.605   8.353   6.850
   27   HG23  THR   4          3HG2      THR   4  -4.498   7.704   5.475
   28    H    CYS   5           H        CYS   5  -3.249   7.532   2.373
   29    HA   CYS   5           HA       CYS   5  -0.671   8.858   1.920
   30    HB2  CYS   5          2HB       CYS   5  -1.483   7.249   0.114
   31    HB3  CYS   5          1HB       CYS   5  -2.881   8.285  -0.084
   32    HA   DPR   6           HA       DPR   6  -2.761  12.832   2.324
   33    HB2  DPR   6          1HB       DPR   6  -1.881  12.418   5.138
   34    HB3  DPR   6          2HB       DPR   6  -1.645  13.843   4.108
   35    HG2  DPR   6          1HG       DPR   6   0.380  12.230   4.624
   36    HG3  DPR   6          2HG       DPR   6   0.139  12.859   2.982
   37    HD2  DPR   6          1HD       DPR   6  -0.480  10.147   4.089
   38    HD3  DPR   6          2HD       DPR   6   0.205  10.602   2.514
   39    HA   PRO   7           HA       PRO   7  -6.276  11.758   5.004
   40    HB2  PRO   7          2HB       PRO   7  -8.210  12.836   3.527
   41    HB3  PRO   7          1HB       PRO   7  -7.062  13.863   4.395
   42    HG2  PRO   7          2HG       PRO   7  -7.177  13.183   1.492
   43    HG3  PRO   7          1HG       PRO   7  -6.715  14.706   2.268
   44    HD2  PRO   7          2HD       PRO   7  -4.952  12.744   1.302
   45    HD3  PRO   7          1HD       PRO   7  -4.535  14.073   2.401
   46    H    GLN   8           H        GLN   8  -5.270  10.328   2.235
   47    HA   GLN   8           HA       GLN   8  -7.748   8.887   1.630
   48    HB2  GLN   8          2HB       GLN   8  -5.095   8.913   0.195
   49    HB3  GLN   8          1HB       GLN   8  -6.551   8.095  -0.346
   50    HG2  GLN   8          2HG       GLN   8  -6.361  11.065   0.053
   51    HG3  GLN   8          1HG       GLN   8  -6.023  10.255  -1.472
   52   HE21  GLN   8          1HE2      GLN   8  -7.652  11.348  -2.472
   53   HE22  GLN   8          2HE2      GLN   8  -9.316  11.001  -2.236
   54    H    THR   9           H        THR   9  -8.006   7.025   2.683
   55    HA   THR   9           HA       THR   9  -5.711   5.490   3.527
   56    HB   THR   9           HB       THR   9  -8.686   4.861   3.703
   57    HG1  THR   9          1HG       THR   9  -8.486   6.328   5.233
   58   HG21  THR   9          1HG2      THR   9  -7.283   2.821   3.741
   59   HG22  THR   9          2HG2      THR   9  -8.014   3.119   5.319
   60   HG23  THR   9          3HG2      THR   9  -6.318   3.515   5.044
   61    H    TYR  10           H        TYR  10  -4.780   4.101   2.457
   62    HA   TYR  10           HA       TYR  10  -5.795   3.383  -0.174
   63    HB2  TYR  10          2HB       TYR  10  -3.698   4.705  -0.009
   64    HB3  TYR  10          1HB       TYR  10  -2.997   3.447   0.972
   65    HD1  TYR  10          1HD       TYR  10  -2.326   1.362  -0.006
   66    HD2  TYR  10          2HD       TYR  10  -4.033   4.440  -2.314
   67    HE1  TYR  10          1HE       TYR  10  -1.512   0.243  -2.060
   68    HE2  TYR  10          2HE       TYR  10  -3.249   3.365  -4.379
   69    HH   TYR  10           HH       TYR  10  -1.473   1.824  -5.016
   70    H    THR  11           H        THR  11  -6.132   1.260  -0.586
   71    HA   THR  11           HA       THR  11  -5.265  -0.743   1.374
   72    HB   THR  11           HB       THR  11  -7.821  -0.822  -0.258
   73    HG1  THR  11          1HG       THR  11  -8.559   0.601   1.064
   74   HG21  THR  11          1HG2      THR  11  -6.999  -2.976   0.616
   75   HG22  THR  11          2HG2      THR  11  -8.503  -2.507   1.408
   76   HG23  THR  11          3HG2      THR  11  -6.965  -2.303   2.245
   77    H    PHE  12           H        PHE  12  -4.641  -2.713   0.482
   78    HA   PHE  12           HA       PHE  12  -4.350  -2.654  -2.415
   79    HB2  PHE  12          2HB       PHE  12  -2.182  -2.388  -0.990
   80    HB3  PHE  12          1HB       PHE  12  -2.473  -4.081  -0.579
   81    HD1  PHE  12          1HD       PHE  12  -1.705  -5.777  -1.929
   82    HD2  PHE  12          2HD       PHE  12  -2.102  -1.855  -3.454
   83    HE1  PHE  12          1HE       PHE  12  -0.661  -6.513  -4.027
   84    HE2  PHE  12          2HE       PHE  12  -1.043  -2.568  -5.582
   85    HZ   PHE  12           HZ       PHE  12  -0.324  -4.906  -5.859
   86    HA   PRO  13           HA       PRO  13  -7.009  -6.221  -2.452
   87    HB2  PRO  13          2HB       PRO  13  -5.093  -7.092  -4.566
   88    HB3  PRO  13          1HB       PRO  13  -6.859  -7.056  -4.600
   89    HG2  PRO  13          2HG       PRO  13  -5.440  -5.177  -5.849
   90    HG3  PRO  13          1HG       PRO  13  -6.941  -4.779  -4.999
   91    HD2  PRO  13          2HD       PRO  13  -4.117  -4.218  -4.190
   92    HD3  PRO  13          1HD       PRO  13  -5.616  -3.318  -3.863
   93    H    THR  14           H        THR  14  -3.572  -7.110  -3.020
   94    HA   THR  14           HA       THR  14  -4.034  -9.392  -1.293
   95    HB   THR  14           HB       THR  14  -1.793 -10.145  -2.385
   96    HG1  THR  14          1HG       THR  14  -1.449  -9.237  -4.418
   97   HG21  THR  14          1HG2      THR  14  -4.351  -9.971  -3.994
   98   HG22  THR  14          2HG2      THR  14  -3.959 -11.222  -2.813
   99   HG23  THR  14          3HG2      THR  14  -3.025 -11.092  -4.304
  100    H    CYS  15           H        CYS  15  -3.490  -9.073   0.714
  101    HA   CYS  15           HA       CYS  15  -1.834  -7.072   1.723
  102    HB2  CYS  15          2HB       CYS  15  -3.598  -8.176   3.029
  103    HB3  CYS  15          1HB       CYS  15  -2.707  -9.686   2.992
  104    H    GLU  16           H        GLU  16  -1.092 -10.343   0.711
  105    HA   GLU  16           HA       GLU  16   1.449 -10.635   1.801
  106    HB2  GLU  16          2HB       GLU  16   0.188 -12.434   0.699
  107    HB3  GLU  16          1HB       GLU  16   0.381 -11.623  -0.847
  108    HG2  GLU  16          2HG       GLU  16   1.932 -13.416  -0.692
  109    HG3  GLU  16          1HG       GLU  16   2.807 -11.887  -0.647
  110    H    GLU  17           H        GLU  17   0.503  -9.488  -1.410
  111    HA   GLU  17           HA       GLU  17   3.120  -8.747  -2.219
  112    HB2  GLU  17          2HB       GLU  17   0.426  -8.092  -3.331
  113    HB3  GLU  17          1HB       GLU  17   1.949  -7.698  -4.121
  114    HG2  GLU  17          2HG       GLU  17   2.474 -10.055  -4.279
  115    HG3  GLU  17          1HG       GLU  17   0.975 -10.452  -3.437
  116    H    ALA  18           H        ALA  18   0.613  -7.156  -0.508
  117    HA   ALA  18           HA       ALA  18   1.162  -4.491  -1.071
  118    HB1  ALA  18          1HB       ALA  18  -0.012  -3.947   0.949
  119    HB2  ALA  18          2HB       ALA  18   0.215  -5.587   1.562
  120    HB3  ALA  18          3HB       ALA  18  -0.807  -5.306   0.153
  121    H    LYS  19           H        LYS  19   3.111  -6.680   0.620
  122    HA   LYS  19           HA       LYS  19   4.577  -4.632   2.062
  123    HB2  LYS  19          2HB       LYS  19   5.118  -7.574   1.686
  124    HB3  LYS  19          1HB       LYS  19   6.095  -6.507   2.684
  125    HG2  LYS  19          2HG       LYS  19   4.114  -6.052   4.076
  126    HG3  LYS  19          1HG       LYS  19   3.196  -7.204   3.106
  127    HD2  LYS  19          2HD       LYS  19   5.697  -7.869   4.663
  128    HD3  LYS  19          1HD       LYS  19   4.059  -8.154   5.243
  129    HE2  LYS  19          2HE       LYS  19   5.294  -9.367   2.764
  130    HE3  LYS  19          1HE       LYS  19   5.085 -10.181   4.309
  131    HZ1  LYS  19          1HZ       LYS  19   2.677  -9.903   4.065
  132    HZ2  LYS  19          2HZ       LYS  19   3.336 -10.782   2.793
  133    HZ3  LYS  19          3HZ       LYS  19   2.908  -9.174   2.560
  134    H    LYS  20           H        LYS  20   4.742  -6.337  -0.933
  135    HA   LYS  20           HA       LYS  20   7.451  -5.457  -1.508
  136    HB2  LYS  20          2HB       LYS  20   6.759  -7.704  -2.201
  137    HB3  LYS  20          1HB       LYS  20   5.441  -7.023  -3.138
  138    HG2  LYS  20          2HG       LYS  20   7.048  -5.989  -4.646
  139    HG3  LYS  20          1HG       LYS  20   8.377  -6.627  -3.674
  140    HD2  LYS  20          2HD       LYS  20   7.699  -8.895  -4.151
  141    HD3  LYS  20          1HD       LYS  20   6.267  -8.310  -4.998
  142    HE2  LYS  20          2HE       LYS  20   9.111  -7.787  -5.827
  143    HE3  LYS  20          1HE       LYS  20   8.060  -9.019  -6.527
  144    HZ1  LYS  20          1HZ       LYS  20   6.539  -7.218  -7.186
  145    HZ2  LYS  20          2HZ       LYS  20   8.053  -7.107  -7.894
  146    HZ3  LYS  20          3HZ       LYS  20   7.668  -6.078  -6.626
  147    H    MET  21           H        MET  21   4.133  -4.897  -2.445
  148    HA   MET  21           HA       MET  21   4.858  -2.706  -4.164
  149    HB2  MET  21          2HB       MET  21   2.915  -4.045  -4.799
  150    HB3  MET  21          1HB       MET  21   2.157  -3.723  -3.251
  151    HG2  MET  21          2HG       MET  21   1.173  -2.361  -5.012
  152    HG3  MET  21          1HG       MET  21   1.964  -1.363  -3.798
  153    HE1  MET  21          1HE       MET  21   3.640  -2.173  -8.026
  154    HE2  MET  21          2HE       MET  21   2.077  -2.753  -7.454
  155    HE3  MET  21          3HE       MET  21   3.563  -3.423  -6.785
  156    H    LYS  22           H        LYS  22   5.835  -1.281  -2.964
  157    HA   LYS  22           HA       LYS  22   4.583  -0.330  -0.546
  158    HB2  LYS  22          2HB       LYS  22   7.214   0.363  -1.855
  159    HB3  LYS  22          1HB       LYS  22   6.650   1.019  -0.322
  160    HG2  LYS  22          2HG       LYS  22   6.653  -1.181   0.670
  161    HG3  LYS  22          1HG       LYS  22   7.108  -1.902  -0.873
  162    HD2  LYS  22          2HD       LYS  22   9.193  -0.652  -0.839
  163    HD3  LYS  22          1HD       LYS  22   8.740   0.068   0.707
  164    HE2  LYS  22          2HE       LYS  22  10.294  -1.819   0.999
  165    HE3  LYS  22          1HE       LYS  22   8.733  -2.118   1.754
  166    HZ1  LYS  22          1HZ       LYS  22   8.131  -3.590   0.030
  167    HZ2  LYS  22          2HZ       LYS  22   9.710  -3.996   0.477
  168    HZ3  LYS  22          3HZ       LYS  22   9.444  -3.132  -0.935
  169    H    LYS  23           H        LYS  23   4.361   2.016  -0.319
  170    HA   LYS  23           HA       LYS  23   3.286   3.018  -2.835
  171    HB2  LYS  23          2HB       LYS  23   2.374   3.720  -0.027
  172    HB3  LYS  23          1HB       LYS  23   1.648   4.284  -1.517
  173    HG2  LYS  23          2HG       LYS  23   0.208   2.598  -0.635
  174    HG3  LYS  23          1HG       LYS  23   1.038   1.867  -2.007
  175    HD2  LYS  23          2HD       LYS  23   2.627   0.803  -0.455
  176    HD3  LYS  23          1HD       LYS  23   1.781   1.529   0.903
  177    HE2  LYS  23          2HE       LYS  23  -0.181   0.217   0.423
  178    HE3  LYS  23          1HE       LYS  23   0.566  -0.414  -1.050
  179    HZ1  LYS  23          1HZ       LYS  23   1.709  -0.800   1.651
  180    HZ2  LYS  23          2HZ       LYS  23   2.191  -1.556   0.224
  181    HZ3  LYS  23          3HZ       LYS  23   0.706  -1.929   0.925
  182    H    ARG  24           H        ARG  24   3.517   5.288  -3.193
  183    HA   ARG  24           HA       ARG  24   5.671   6.449  -1.592
  184    HB2  ARG  24          2HB       ARG  24   6.593   5.530  -3.673
  185    HB3  ARG  24          1HB       ARG  24   5.449   6.473  -4.600
  186    HG2  ARG  24          2HG       ARG  24   7.717   7.398  -4.670
  187    HG3  ARG  24          1HG       ARG  24   6.559   8.518  -3.963
  188    HD2  ARG  24          2HD       ARG  24   8.135   6.734  -2.169
  189    HD3  ARG  24          1HD       ARG  24   8.928   8.138  -2.878
  190    HE   ARG  24           HE       ARG  24   6.739   9.246  -1.894
  191   HH11  ARG  24          1HH1      ARG  24   8.913   6.925  -0.318
  192   HH12  ARG  24          2HH1      ARG  24   8.719   7.621   1.224
  193   HH21  ARG  24          1HH2      ARG  24   6.511  10.161   0.204
  194   HH22  ARG  24          2HH2      ARG  24   7.337   9.456   1.538
  195    H    CYS  25           H        CYS  25   4.427   7.786  -0.484
  196    HA   CYS  25           HA       CYS  25   3.207   9.963  -2.001
  197    HB2  CYS  25          2HB       CYS  25   2.192   8.733   0.576
  198    HB3  CYS  25          1HB       CYS  25   1.555  10.199  -0.146
  Start of MODEL    2
    1    H1   CYS   1          1HT       CYS   1  -3.744  -4.627   6.675
    2    H2   CYS   1          2HT       CYS   1  -3.247  -6.223   6.422
    3    H3   CYS   1          3HT       CYS   1  -4.646  -5.660   5.698
    4    HA   CYS   1           HA       CYS   1  -1.958  -4.630   5.198
    5    HB2  CYS   1          2HB       CYS   1  -3.579  -6.649   3.684
    6    HB3  CYS   1          1HB       CYS   1  -2.287  -5.716   2.933
    7    H    SER   2           H        SER   2  -2.721  -2.555   5.418
    8    HA   SER   2           HA       SER   2  -4.231  -1.657   3.109
    9    HB2  SER   2          2HB       SER   2  -4.280  -0.498   5.905
   10    HB3  SER   2          1HB       SER   2  -5.219   0.066   4.522
   11    HG   SER   2           HG       SER   2  -6.183  -1.405   6.167
   12    H    TYR   3           H        TYR   3  -3.592   0.498   2.508
   13    HA   TYR   3           HA       TYR   3  -0.786   1.080   3.112
   14    HB2  TYR   3          2HB       TYR   3  -1.058   0.145   0.887
   15    HB3  TYR   3          1HB       TYR   3  -2.396   1.217   0.542
   16    HD1  TYR   3          1HD       TYR   3   1.259   1.089   1.115
   17    HD2  TYR   3          2HD       TYR   3  -2.011   3.324  -0.429
   18    HE1  TYR   3          1HE       TYR   3   2.821   2.635   0.038
   19    HE2  TYR   3          2HE       TYR   3  -0.482   4.872  -1.491
   20    HH   TYR   3           HH       TYR   3   1.806   5.612  -1.311
   21    H    THR   4           H        THR   4  -0.347   3.464   3.004
   22    HA   THR   4           HA       THR   4  -2.778   5.047   3.251
   23    HB   THR   4           HB       THR   4  -0.380   5.315   5.093
   24    HG1  THR   4          1HG       THR   4  -1.482   3.468   5.634
   25   HG21  THR   4          1HG2      THR   4  -3.122   6.606   5.155
   26   HG22  THR   4          2HG2      THR   4  -1.616   7.415   4.724
   27   HG23  THR   4          3HG2      THR   4  -1.859   6.820   6.367
   28    H    CYS   5           H        CYS   5  -2.727   6.781   2.021
   29    HA   CYS   5           HA       CYS   5  -0.143   7.879   1.198
   30    HB2  CYS   5          2HB       CYS   5  -1.328   6.662  -0.659
   31    HB3  CYS   5          1HB       CYS   5  -2.707   7.711  -0.423
   32    HA   DPR   6           HA       DPR   6  -1.496  11.924   2.558
   33    HB2  DPR   6          1HB       DPR   6  -0.555  10.822   5.167
   34    HB3  DPR   6          2HB       DPR   6  -0.159  12.388   4.428
   35    HG2  DPR   6          1HG       DPR   6   1.622  10.454   4.393
   36    HG3  DPR   6          2HG       DPR   6   1.329  11.377   2.905
   37    HD2  DPR   6          1HD       DPR   6   0.357   8.642   3.664
   38    HD3  DPR   6          2HD       DPR   6   1.003   9.232   2.116
   39    HA   PRO   7           HA       PRO   7  -5.023  11.379   5.349
   40    HB2  PRO   7          2HB       PRO   7  -6.816  12.773   3.920
   41    HB3  PRO   7          1HB       PRO   7  -5.507  13.581   4.792
   42    HG2  PRO   7          2HG       PRO   7  -5.701  12.889   1.890
   43    HG3  PRO   7          1HG       PRO   7  -5.139  14.398   2.636
   44    HD2  PRO   7          2HD       PRO   7  -3.462  12.444   1.713
   45    HD3  PRO   7          1HD       PRO   7  -3.044  13.549   3.037
   46    H    GLN   8           H        GLN   8  -4.464   9.916   2.428
   47    HA   GLN   8           HA       GLN   8  -7.139   8.745   2.194
   48    HB2  GLN   8          2HB       GLN   8  -6.252   9.634   0.130
   49    HB3  GLN   8          1HB       GLN   8  -4.770   8.715   0.328
   50    HG2  GLN   8          2HG       GLN   8  -6.175   6.625   0.185
   51    HG3  GLN   8          1HG       GLN   8  -7.519   7.661  -0.290
   52   HE21  GLN   8          1HE2      GLN   8  -7.638   6.670  -2.320
   53   HE22  GLN   8          2HE2      GLN   8  -6.471   6.972  -3.553
   54    H    THR   9           H        THR   9  -7.279   7.017   3.589
   55    HA   THR   9           HA       THR   9  -5.107   5.143   3.718
   56    HB   THR   9           HB       THR   9  -7.966   4.838   4.720
   57    HG1  THR   9          1HG       THR   9  -5.757   5.503   6.361
   58   HG21  THR   9          1HG2      THR   9  -6.702   2.721   4.565
   59   HG22  THR   9          2HG2      THR   9  -6.991   3.164   6.247
   60   HG23  THR   9          3HG2      THR   9  -5.403   3.428   5.525
   61    H    TYR  10           H        TYR  10  -4.969   3.325   2.543
   62    HA   TYR  10           HA       TYR  10  -6.836   3.075   0.283
   63    HB2  TYR  10          2HB       TYR  10  -4.552   4.126  -0.017
   64    HB3  TYR  10          1HB       TYR  10  -3.875   2.585   0.444
   65    HD1  TYR  10          1HD       TYR  10  -5.710   4.433  -2.095
   66    HD2  TYR  10          2HD       TYR  10  -3.806   0.763  -1.145
   67    HE1  TYR  10          1HE       TYR  10  -5.701   3.847  -4.458
   68    HE2  TYR  10          2HE       TYR  10  -3.792   0.145  -3.521
   69    HH   TYR  10           HH       TYR  10  -4.971   0.718  -5.582
   70    H    THR  11           H        THR  11  -7.773   1.054   0.304
   71    HA   THR  11           HA       THR  11  -6.582  -1.016   1.958
   72    HB   THR  11           HB       THR  11  -9.124  -1.130   0.269
   73    HG1  THR  11          1HG       THR  11  -8.972   0.499   2.046
   74   HG21  THR  11          1HG2      THR  11  -9.732  -2.991   1.761
   75   HG22  THR  11          2HG2      THR  11  -8.211  -2.802   2.630
   76   HG23  THR  11          3HG2      THR  11  -8.204  -3.329   0.948
   77    H    PHE  12           H        PHE  12  -5.461  -2.735   1.052
   78    HA   PHE  12           HA       PHE  12  -5.032  -2.443  -1.819
   79    HB2  PHE  12          2HB       PHE  12  -3.137  -2.254   0.029
   80    HB3  PHE  12          1HB       PHE  12  -3.233  -4.004  -0.019
   81    HD1  PHE  12          1HD       PHE  12  -2.435  -1.013  -1.988
   82    HD2  PHE  12          2HD       PHE  12  -2.373  -5.262  -1.857
   83    HE1  PHE  12          1HE       PHE  12  -0.989  -1.054  -3.977
   84    HE2  PHE  12          2HE       PHE  12  -0.946  -5.307  -3.824
   85    HZ   PHE  12           HZ       PHE  12  -0.243  -3.212  -4.897
   86    HA   PRO  13           HA       PRO  13  -7.171  -6.315  -2.515
   87    HB2  PRO  13          2HB       PRO  13  -5.678  -7.086  -4.742
   88    HB3  PRO  13          1HB       PRO  13  -7.125  -6.083  -4.785
   89    HG2  PRO  13          2HG       PRO  13  -4.257  -5.290  -4.885
   90    HG3  PRO  13          1HG       PRO  13  -5.651  -4.560  -5.696
   91    HD2  PRO  13          2HD       PRO  13  -4.497  -3.436  -3.558
   92    HD3  PRO  13          1HD       PRO  13  -6.249  -3.336  -3.827
   93    H    THR  14           H        THR  14  -3.680  -6.635  -3.303
   94    HA   THR  14           HA       THR  14  -3.706  -9.214  -2.086
   95    HB   THR  14           HB       THR  14  -1.284  -9.096  -3.089
   96    HG1  THR  14          1HG       THR  14  -1.372  -7.667  -4.960
   97   HG21  THR  14          1HG2      THR  14  -3.115 -10.531  -3.905
   98   HG22  THR  14          2HG2      THR  14  -2.187  -9.857  -5.242
   99   HG23  THR  14          3HG2      THR  14  -3.759  -9.173  -4.826
  100    H    CYS  15           H        CYS  15  -3.321  -9.338  -0.047
  101    HA   CYS  15           HA       CYS  15  -2.307  -7.310   1.592
  102    HB2  CYS  15          2HB       CYS  15  -3.853  -8.959   2.410
  103    HB3  CYS  15          1HB       CYS  15  -2.740 -10.264   2.059
  104    H    GLU  16           H        GLU  16  -0.748 -10.082   0.084
  105    HA   GLU  16           HA       GLU  16   1.633  -9.888   1.611
  106    HB2  GLU  16          2HB       GLU  16   0.676 -11.873   0.259
  107    HB3  GLU  16          1HB       GLU  16   1.458 -11.111  -1.120
  108    HG2  GLU  16          2HG       GLU  16   2.864 -12.805  -0.198
  109    HG3  GLU  16          1HG       GLU  16   3.601 -11.220   0.063
  110    H    GLU  17           H        GLU  17   0.471  -8.477  -1.354
  111    HA   GLU  17           HA       GLU  17   3.019  -7.404  -2.148
  112    HB2  GLU  17          2HB       GLU  17   1.414  -8.065  -3.845
  113    HB3  GLU  17          1HB       GLU  17   0.214  -6.975  -3.185
  114    HG2  GLU  17          2HG       GLU  17   1.172  -6.105  -5.243
  115    HG3  GLU  17          1HG       GLU  17   1.560  -5.063  -3.882
  116    H    ALA  18           H        ALA  18   0.239  -6.397  -0.345
  117    HA   ALA  18           HA       ALA  18   0.547  -3.625  -0.358
  118    HB1  ALA  18          1HB       ALA  18  -0.758  -3.616   1.692
  119    HB2  ALA  18          2HB       ALA  18  -0.419  -5.333   1.922
  120    HB3  ALA  18          3HB       ALA  18  -1.398  -4.808   0.555
  121    H    LYS  19           H        LYS  19   2.220  -6.054   1.451
  122    HA   LYS  19           HA       LYS  19   3.561  -4.292   3.312
  123    HB2  LYS  19          2HB       LYS  19   4.334  -7.082   2.470
  124    HB3  LYS  19          1HB       LYS  19   4.765  -6.267   3.959
  125    HG2  LYS  19          2HG       LYS  19   2.532  -6.450   4.793
  126    HG3  LYS  19          1HG       LYS  19   1.940  -7.018   3.227
  127    HD2  LYS  19          2HD       LYS  19   3.473  -8.969   3.435
  128    HD3  LYS  19          1HD       LYS  19   3.858  -8.434   5.067
  129    HE2  LYS  19          2HE       LYS  19   1.582  -8.781   5.760
  130    HE3  LYS  19          1HE       LYS  19   1.085  -9.119   4.100
  131    HZ1  LYS  19          1HZ       LYS  19   1.394 -11.206   5.286
  132    HZ2  LYS  19          2HZ       LYS  19   2.950 -10.746   5.735
  133    HZ3  LYS  19          3HZ       LYS  19   2.601 -11.023   4.112
  134    H    LYS  20           H        LYS  20   3.965  -5.307   0.098
  135    HA   LYS  20           HA       LYS  20   6.851  -4.831  -0.020
  136    HB2  LYS  20          2HB       LYS  20   6.183  -6.978  -0.815
  137    HB3  LYS  20          1HB       LYS  20   4.860  -6.300  -1.734
  138    HG2  LYS  20          2HG       LYS  20   6.462  -5.327  -3.303
  139    HG3  LYS  20          1HG       LYS  20   7.792  -6.016  -2.365
  140    HD2  LYS  20          2HD       LYS  20   7.159  -8.217  -2.886
  141    HD3  LYS  20          1HD       LYS  20   5.562  -7.715  -3.436
  142    HE2  LYS  20          2HE       LYS  20   8.148  -6.990  -4.808
  143    HE3  LYS  20          1HE       LYS  20   7.114  -8.339  -5.280
  144    HZ1  LYS  20          1HZ       LYS  20   5.304  -6.683  -5.587
  145    HZ2  LYS  20          2HZ       LYS  20   6.588  -6.506  -6.661
  146    HZ3  LYS  20          3HZ       LYS  20   6.427  -5.438  -5.378
  147    H    MET  21           H        MET  21   3.858  -3.418  -0.792
  148    HA   MET  21           HA       MET  21   4.663  -1.915  -3.047
  149    HB2  MET  21          2HB       MET  21   2.290  -2.403  -2.605
  150    HB3  MET  21          1HB       MET  21   2.366  -1.426  -1.146
  151    HG2  MET  21          2HG       MET  21   1.328  -0.236  -3.038
  152    HG3  MET  21          1HG       MET  21   2.770   0.570  -2.426
  153    HE1  MET  21          1HE       MET  21   2.683  -2.658  -4.743
  154    HE2  MET  21          2HE       MET  21   2.687  -1.913  -6.342
  155    HE3  MET  21          3HE       MET  21   1.298  -1.706  -5.274
  156    H    LYS  22           H        LYS  22   5.998  -0.431  -3.048
  157    HA   LYS  22           HA       LYS  22   6.834   0.864  -0.643
  158    HB2  LYS  22          2HB       LYS  22   7.783   1.327  -3.474
  159    HB3  LYS  22          1HB       LYS  22   8.574   1.913  -2.010
  160    HG2  LYS  22          2HG       LYS  22   8.843  -0.440  -1.273
  161    HG3  LYS  22          1HG       LYS  22   8.189  -0.959  -2.820
  162    HD2  LYS  22          2HD       LYS  22  10.058   0.221  -3.946
  163    HD3  LYS  22          1HD       LYS  22  10.716   0.606  -2.353
  164    HE2  LYS  22          2HE       LYS  22  10.256  -2.157  -3.468
  165    HE3  LYS  22          1HE       LYS  22  11.814  -1.362  -3.282
  166    HZ1  LYS  22          1HZ       LYS  22   9.984  -2.130  -1.056
  167    HZ2  LYS  22          2HZ       LYS  22  11.456  -1.369  -0.852
  168    HZ3  LYS  22          3HZ       LYS  22  11.396  -2.929  -1.476
  169    H    LYS  23           H        LYS  23   6.752   3.026  -0.177
  170    HA   LYS  23           HA       LYS  23   4.185   4.030  -0.804
  171    HB2  LYS  23          2HB       LYS  23   6.335   5.106   0.991
  172    HB3  LYS  23          1HB       LYS  23   4.736   5.825   0.824
  173    HG2  LYS  23          2HG       LYS  23   3.699   3.791   1.608
  174    HG3  LYS  23          1HG       LYS  23   5.271   2.997   1.697
  175    HD2  LYS  23          2HD       LYS  23   5.967   4.589   3.420
  176    HD3  LYS  23          1HD       LYS  23   4.396   5.392   3.306
  177    HE2  LYS  23          2HE       LYS  23   3.266   3.395   4.020
  178    HE3  LYS  23          1HE       LYS  23   4.772   2.490   4.005
  179    HZ1  LYS  23          1HZ       LYS  23   4.157   4.770   5.814
  180    HZ2  LYS  23          2HZ       LYS  23   5.582   3.853   5.805
  181    HZ3  LYS  23          3HZ       LYS  23   4.121   3.132   6.217
  182    H    ARG  24           H        ARG  24   3.836   4.823  -2.627
  183    HA   ARG  24           HA       ARG  24   5.395   7.133  -3.542
  184    HB2  ARG  24          2HB       ARG  24   5.378   5.331  -5.200
  185    HB3  ARG  24          1HB       ARG  24   3.628   5.216  -5.085
  186    HG2  ARG  24          2HG       ARG  24   3.418   7.468  -6.018
  187    HG3  ARG  24          1HG       ARG  24   5.176   7.580  -6.128
  188    HD2  ARG  24          2HD       ARG  24   3.481   5.517  -7.506
  189    HD3  ARG  24          1HD       ARG  24   4.119   6.973  -8.275
  190    HE   ARG  24           HE       ARG  24   6.339   5.966  -7.416
  191   HH11  ARG  24          1HH1      ARG  24   3.627   4.140  -8.812
  192   HH12  ARG  24          2HH1      ARG  24   4.594   2.938  -9.506
  193   HH21  ARG  24          1HH2      ARG  24   7.696   4.326  -8.402
  194   HH22  ARG  24          2HH2      ARG  24   6.974   3.030  -9.240
  195    H    CYS  25           H        CYS  25   4.346   8.926  -2.923
  196    HA   CYS  25           HA       CYS  25   1.482   9.020  -3.245
  197    HB2  CYS  25          2HB       CYS  25   2.021   8.199  -0.903
  198    HB3  CYS  25          1HB       CYS  25   2.812   9.743  -0.624
  Start of MODEL    3
    1    H1   CYS   1          1HT       CYS   1  -3.568  -5.003   6.812
    2    H2   CYS   1          2HT       CYS   1  -3.030  -6.474   6.167
    3    H3   CYS   1          3HT       CYS   1  -4.370  -5.691   5.515
    4    HA   CYS   1           HA       CYS   1  -1.694  -4.545   5.522
    5    HB2  CYS   1          2HB       CYS   1  -3.142  -6.104   3.384
    6    HB3  CYS   1          1HB       CYS   1  -1.780  -5.047   3.045
    7    H    SER   2           H        SER   2  -2.349  -2.486   6.020
    8    HA   SER   2           HA       SER   2  -4.224  -1.229   4.157
    9    HB2  SER   2          2HB       SER   2  -3.332  -0.320   6.909
   10    HB3  SER   2          1HB       SER   2  -4.566   0.437   5.902
   11    HG   SER   2           HG       SER   2  -5.799  -1.401   6.089
   12    H    TYR   3           H        TYR   3  -3.561   0.838   3.354
   13    HA   TYR   3           HA       TYR   3  -0.751   1.518   3.750
   14    HB2  TYR   3          2HB       TYR   3  -0.982   0.343   1.571
   15    HB3  TYR   3          1HB       TYR   3  -2.285   1.432   1.116
   16    HD1  TYR   3          1HD       TYR   3   1.348   1.321   1.910
   17    HD2  TYR   3          2HD       TYR   3  -1.813   3.457   0.031
   18    HE1  TYR   3          1HE       TYR   3   2.983   2.860   0.935
   19    HE2  TYR   3          2HE       TYR   3  -0.232   4.984  -0.952
   20    HH   TYR   3           HH       TYR   3   2.120   5.798  -0.428
   21    H    THR   4           H        THR   4  -0.458   3.891   3.365
   22    HA   THR   4           HA       THR   4  -3.007   5.310   3.459
   23    HB   THR   4           HB       THR   4  -0.562   5.962   5.134
   24    HG1  THR   4          1HG       THR   4  -1.875   4.122   5.765
   25   HG21  THR   4          1HG2      THR   4  -3.318   7.226   5.075
   26   HG22  THR   4          2HG2      THR   4  -1.841   7.968   4.463
   27   HG23  THR   4          3HG2      THR   4  -2.015   7.647   6.189
   28    H    CYS   5           H        CYS   5  -3.175   6.829   2.009
   29    HA   CYS   5           HA       CYS   5  -0.739   7.978   0.877
   30    HB2  CYS   5          2HB       CYS   5  -1.846   6.430  -0.740
   31    HB3  CYS   5          1HB       CYS   5  -3.320   7.375  -0.593
   32    HA   DPR   6           HA       DPR   6  -2.599  12.012   1.403
   33    HB2  DPR   6          1HB       DPR   6  -0.916  11.919   3.854
   34    HB3  DPR   6          2HB       DPR   6  -0.975  13.169   2.598
   35    HG2  DPR   6          1HG       DPR   6   1.083  11.515   2.739
   36    HG3  DPR   6          2HG       DPR   6   0.383  11.934   1.162
   37    HD2  DPR   6          1HD       DPR   6   0.021   9.456   2.803
   38    HD3  DPR   6          2HD       DPR   6   0.279   9.634   1.053
   39    HA   PRO   7           HA       PRO   7  -5.142  11.606   5.130
   40    HB2  PRO   7          2HB       PRO   7  -7.409  12.571   4.104
   41    HB3  PRO   7          1HB       PRO   7  -6.043  13.641   4.436
   42    HG2  PRO   7          2HG       PRO   7  -6.969  12.500   1.834
   43    HG3  PRO   7          1HG       PRO   7  -6.349  14.121   2.186
   44    HD2  PRO   7          2HD       PRO   7  -4.859  12.050   1.090
   45    HD3  PRO   7          1HD       PRO   7  -4.183  13.464   1.924
   46    H    GLN   8           H        GLN   8  -5.088   9.730   2.400
   47    HA   GLN   8           HA       GLN   8  -7.633   8.397   2.971
   48    HB2  GLN   8          2HB       GLN   8  -5.822   8.151   0.585
   49    HB3  GLN   8          1HB       GLN   8  -7.328   7.286   0.827
   50    HG2  GLN   8          2HG       GLN   8  -8.543   9.401   0.779
   51    HG3  GLN   8          1HG       GLN   8  -7.023  10.262   0.534
   52   HE21  GLN   8          1HE2      GLN   8  -7.722   7.138  -0.922
   53   HE22  GLN   8          2HE2      GLN   8  -7.822   7.710  -2.532
   54    H    THR   9           H        THR   9  -7.441   6.714   4.292
   55    HA   THR   9           HA       THR   9  -5.099   5.015   4.212
   56    HB   THR   9           HB       THR   9  -7.798   4.438   5.504
   57    HG1  THR   9          1HG       THR   9  -7.262   6.207   6.569
   58   HG21  THR   9          1HG2      THR   9  -4.994   3.480   6.153
   59   HG22  THR   9          2HG2      THR   9  -6.225   2.537   5.317
   60   HG23  THR   9          3HG2      THR   9  -6.465   3.006   7.002
   61    H    TYR  10           H        TYR  10  -4.774   3.869   2.656
   62    HA   TYR  10           HA       TYR  10  -6.854   3.297   0.744
   63    HB2  TYR  10          2HB       TYR  10  -4.788   4.429   0.017
   64    HB3  TYR  10          1HB       TYR  10  -3.838   3.081   0.597
   65    HD1  TYR  10          1HD       TYR  10  -3.389   1.301  -0.793
   66    HD2  TYR  10          2HD       TYR  10  -6.469   3.986  -1.775
   67    HE1  TYR  10          1HE       TYR  10  -3.585   0.208  -3.016
   68    HE2  TYR  10          2HE       TYR  10  -6.720   2.937  -4.007
   69    HH   TYR  10           HH       TYR  10  -5.327   1.607  -5.559
   70    H    THR  11           H        THR  11  -7.600   1.332   0.452
   71    HA   THR  11           HA       THR  11  -6.547  -0.893   1.993
   72    HB   THR  11           HB       THR  11  -8.846  -0.795   0.017
   73    HG1  THR  11          1HG       THR  11  -8.595   0.263   2.491
   74   HG21  THR  11          1HG2      THR  11  -8.214  -2.676   2.298
   75   HG22  THR  11          2HG2      THR  11  -8.067  -3.040   0.580
   76   HG23  THR  11          3HG2      THR  11  -9.658  -2.749   1.288
   77    H    PHE  12           H        PHE  12  -5.008  -2.081   1.117
   78    HA   PHE  12           HA       PHE  12  -4.508  -1.685  -1.677
   79    HB2  PHE  12          2HB       PHE  12  -2.740  -1.788   0.258
   80    HB3  PHE  12          1HB       PHE  12  -2.893  -3.530   0.043
   81    HD1  PHE  12          1HD       PHE  12  -1.880  -0.408  -1.481
   82    HD2  PHE  12          2HD       PHE  12  -2.018  -4.613  -1.930
   83    HE1  PHE  12          1HE       PHE  12  -0.321  -0.243  -3.402
   84    HE2  PHE  12          2HE       PHE  12  -0.474  -4.480  -3.840
   85    HZ   PHE  12           HZ       PHE  12   0.381  -2.291  -4.580
   86    HA   PRO  13           HA       PRO  13  -6.957  -5.141  -2.998
   87    HB2  PRO  13          2HB       PRO  13  -5.230  -5.888  -5.085
   88    HB3  PRO  13          1HB       PRO  13  -6.584  -4.761  -5.198
   89    HG2  PRO  13          2HG       PRO  13  -3.679  -4.197  -4.824
   90    HG3  PRO  13          1HG       PRO  13  -4.882  -3.298  -5.764
   91    HD2  PRO  13          2HD       PRO  13  -4.039  -2.396  -3.447
   92    HD3  PRO  13          1HD       PRO  13  -5.765  -2.273  -3.866
   93    H    THR  14           H        THR  14  -3.452  -5.760  -3.126
   94    HA   THR  14           HA       THR  14  -4.019  -8.427  -2.144
   95    HB   THR  14           HB       THR  14  -1.619  -8.774  -3.050
   96    HG1  THR  14          1HG       THR  14  -1.676  -7.175  -5.037
   97   HG21  THR  14          1HG2      THR  14  -2.510  -9.245  -5.261
   98   HG22  THR  14          2HG2      THR  14  -3.931  -8.258  -4.918
   99   HG23  THR  14          3HG2      THR  14  -3.652  -9.754  -4.020
  100    H    CYS  15           H        CYS  15  -3.391  -8.912  -0.172
  101    HA   CYS  15           HA       CYS  15  -2.056  -7.021   1.485
  102    HB2  CYS  15          2HB       CYS  15  -3.793  -8.698   2.242
  103    HB3  CYS  15          1HB       CYS  15  -2.619  -9.964   1.967
  104    H    GLU  16           H        GLU  16  -1.197  -9.814  -0.381
  105    HA   GLU  16           HA       GLU  16   1.379 -10.401   0.439
  106    HB2  GLU  16          2HB       GLU  16   0.541 -10.324  -2.470
  107    HB3  GLU  16          1HB       GLU  16   1.761 -11.343  -1.741
  108    HG2  GLU  16          2HG       GLU  16  -0.005 -12.800  -2.146
  109    HG3  GLU  16          1HG       GLU  16  -0.200 -12.387  -0.445
  110    H    GLU  17           H        GLU  17   0.389  -8.273  -2.213
  111    HA   GLU  17           HA       GLU  17   3.014  -7.305  -2.605
  112    HB2  GLU  17          2HB       GLU  17   0.396  -6.376  -3.767
  113    HB3  GLU  17          1HB       GLU  17   1.983  -5.851  -4.314
  114    HG2  GLU  17          2HG       GLU  17   0.932  -8.678  -4.408
  115    HG3  GLU  17          1HG       GLU  17   0.997  -7.569  -5.773
  116    H    ALA  18           H        ALA  18   0.294  -6.225  -0.713
  117    HA   ALA  18           HA       ALA  18   0.856  -3.507  -0.435
  118    HB1  ALA  18          1HB       ALA  18  -0.368  -3.593   1.653
  119    HB2  ALA  18          2HB       ALA  18  -0.165  -5.346   1.708
  120    HB3  ALA  18          3HB       ALA  18  -1.155  -4.618   0.445
  121    H    LYS  19           H        LYS  19   2.321  -6.241   1.122
  122    HA   LYS  19           HA       LYS  19   3.864  -4.653   2.994
  123    HB2  LYS  19          2HB       LYS  19   3.959  -7.591   2.313
  124    HB3  LYS  19          1HB       LYS  19   4.820  -6.839   3.649
  125    HG2  LYS  19          2HG       LYS  19   2.729  -6.234   4.715
  126    HG3  LYS  19          1HG       LYS  19   1.820  -6.859   3.341
  127    HD2  LYS  19          2HD       LYS  19   3.606  -8.511   5.131
  128    HD3  LYS  19          1HD       LYS  19   1.855  -8.394   5.283
  129    HE2  LYS  19          2HE       LYS  19   1.597  -9.328   3.027
  130    HE3  LYS  19          1HE       LYS  19   3.347  -9.445   2.873
  131    HZ1  LYS  19          1HZ       LYS  19   1.711 -10.877   4.889
  132    HZ2  LYS  19          2HZ       LYS  19   3.379 -11.021   4.689
  133    HZ3  LYS  19          3HZ       LYS  19   2.333 -11.545   3.474
  134    H    LYS  20           H        LYS  20   4.109  -5.530  -0.187
  135    HA   LYS  20           HA       LYS  20   7.035  -5.580  -0.328
  136    HB2  LYS  20          2HB       LYS  20   5.837  -7.331  -1.467
  137    HB3  LYS  20          1HB       LYS  20   4.778  -6.165  -2.221
  138    HG2  LYS  20          2HG       LYS  20   6.662  -5.368  -3.577
  139    HG3  LYS  20          1HG       LYS  20   7.688  -6.609  -2.832
  140    HD2  LYS  20          2HD       LYS  20   6.304  -8.358  -3.653
  141    HD3  LYS  20          1HD       LYS  20   5.085  -7.218  -4.200
  142    HE2  LYS  20          2HE       LYS  20   6.698  -6.348  -5.839
  143    HE3  LYS  20          1HE       LYS  20   7.853  -7.582  -5.328
  144    HZ1  LYS  20          1HZ       LYS  20   5.136  -8.152  -6.340
  145    HZ2  LYS  20          2HZ       LYS  20   6.332  -9.281  -5.982
  146    HZ3  LYS  20          3HZ       LYS  20   6.532  -8.258  -7.298
  147    H    MET  21           H        MET  21   4.184  -3.810  -1.215
  148    HA   MET  21           HA       MET  21   5.233  -1.861  -2.889
  149    HB2  MET  21          2HB       MET  21   2.854  -2.410  -2.757
  150    HB3  MET  21          1HB       MET  21   2.807  -1.858  -1.092
  151    HG2  MET  21          2HG       MET  21   1.846  -0.201  -2.561
  152    HG3  MET  21          1HG       MET  21   3.329   0.413  -1.833
  153    HE1  MET  21          1HE       MET  21   3.317   2.119  -5.337
  154    HE2  MET  21          2HE       MET  21   3.406   2.361  -3.593
  155    HE3  MET  21          3HE       MET  21   1.918   1.760  -4.325
  156    H    LYS  22           H        LYS  22   6.458  -0.326  -2.416
  157    HA   LYS  22           HA       LYS  22   6.914   0.530   0.318
  158    HB2  LYS  22          2HB       LYS  22   8.678   1.930  -0.611
  159    HB3  LYS  22          1HB       LYS  22   8.828   0.261  -1.134
  160    HG2  LYS  22          2HG       LYS  22   7.876   0.867  -3.313
  161    HG3  LYS  22          1HG       LYS  22   7.735   2.539  -2.770
  162    HD2  LYS  22          2HD       LYS  22   9.743   2.263  -4.107
  163    HD3  LYS  22          1HD       LYS  22  10.132   2.628  -2.419
  164    HE2  LYS  22          2HE       LYS  22  10.623   0.289  -1.983
  165    HE3  LYS  22          1HE       LYS  22  10.143  -0.141  -3.623
  166    HZ1  LYS  22          1HZ       LYS  22  12.523  -0.028  -3.370
  167    HZ2  LYS  22          2HZ       LYS  22  12.443   1.562  -2.849
  168    HZ3  LYS  22          3HZ       LYS  22  12.004   1.167  -4.442
  169    H    LYS  23           H        LYS  23   7.108   3.050   0.516
  170    HA   LYS  23           HA       LYS  23   4.473   3.976  -0.071
  171    HB2  LYS  23          2HB       LYS  23   6.760   5.306   1.375
  172    HB3  LYS  23          1HB       LYS  23   5.130   5.964   1.235
  173    HG2  LYS  23          2HG       LYS  23   4.221   4.047   2.415
  174    HG3  LYS  23          1HG       LYS  23   5.824   3.326   2.512
  175    HD2  LYS  23          2HD       LYS  23   5.189   4.348   4.594
  176    HD3  LYS  23          1HD       LYS  23   6.573   5.198   3.886
  177    HE2  LYS  23          2HE       LYS  23   5.035   6.938   3.057
  178    HE3  LYS  23          1HE       LYS  23   3.687   6.049   3.761
  179    HZ1  LYS  23          1HZ       LYS  23   4.649   6.396   5.943
  180    HZ2  LYS  23          2HZ       LYS  23   4.380   7.869   5.176
  181    HZ3  LYS  23          3HZ       LYS  23   5.940   7.247   5.273
  182    H    ARG  24           H        ARG  24   4.122   4.433  -2.012
  183    HA   ARG  24           HA       ARG  24   5.562   6.572  -3.331
  184    HB2  ARG  24          2HB       ARG  24   6.693   4.405  -3.949
  185    HB3  ARG  24          1HB       ARG  24   5.160   3.845  -4.594
  186    HG2  ARG  24          2HG       ARG  24   5.222   5.729  -6.210
  187    HG3  ARG  24          1HG       ARG  24   6.824   6.130  -5.584
  188    HD2  ARG  24          2HD       ARG  24   7.600   3.870  -6.186
  189    HD3  ARG  24          1HD       ARG  24   6.021   3.543  -6.897
  190    HE   ARG  24           HE       ARG  24   7.057   5.900  -7.979
  191   HH11  ARG  24          1HH1      ARG  24   7.577   2.387  -8.163
  192   HH12  ARG  24          2HH1      ARG  24   8.308   2.444  -9.696
  193   HH21  ARG  24          1HH2      ARG  24   8.003   5.947 -10.127
  194   HH22  ARG  24          2HH2      ARG  24   8.545   4.501 -10.837
  195    H    CYS  25           H        CYS  25   3.607   7.744  -3.174
  196    HA   CYS  25           HA       CYS  25   1.494   6.822  -4.914
  197    HB2  CYS  25          2HB       CYS  25   0.913   5.938  -2.662
  198    HB3  CYS  25          1HB       CYS  25   0.970   7.579  -2.031
  Start of MODEL    4
    1    H1   CYS   1          1HT       CYS   1  -3.462  -4.726   4.249
    2    H2   CYS   1          2HT       CYS   1  -2.948  -4.023   5.692
    3    H3   CYS   1          3HT       CYS   1  -2.078  -5.319   5.017
    4    HA   CYS   1           HA       CYS   1  -1.019  -3.206   4.702
    5    HB2  CYS   1          2HB       CYS   1  -1.982  -4.628   2.216
    6    HB3  CYS   1          1HB       CYS   1  -0.674  -3.457   2.245
    7    H    SER   2           H        SER   2  -2.110  -1.391   5.351
    8    HA   SER   2           HA       SER   2  -3.514   0.018   3.228
    9    HB2  SER   2          2HB       SER   2  -4.113   0.161   6.197
   10    HB3  SER   2          1HB       SER   2  -4.929   1.062   4.927
   11    HG   SER   2           HG       SER   2  -5.941  -0.722   4.243
   12    H    TYR   3           H        TYR   3  -2.989   2.222   3.200
   13    HA   TYR   3           HA       TYR   3  -1.116   3.190   5.167
   14    HB2  TYR   3          2HB       TYR   3   0.569   3.914   3.637
   15    HB3  TYR   3          1HB       TYR   3   0.220   2.256   3.178
   16    HD1  TYR   3          1HD       TYR   3  -1.070   1.834   1.046
   17    HD2  TYR   3          2HD       TYR   3   0.235   5.709   2.171
   18    HE1  TYR   3          1HE       TYR   3  -1.347   2.614  -1.279
   19    HE2  TYR   3          2HE       TYR   3  -0.054   6.495  -0.124
   20    HH   TYR   3           HH       TYR   3  -0.103   5.542  -2.406
   21    H    THR   4           H        THR   4  -0.939   5.619   4.916
   22    HA   THR   4           HA       THR   4  -3.509   6.516   3.899
   23    HB   THR   4           HB       THR   4  -1.775   7.861   5.984
   24    HG1  THR   4          1HG       THR   4  -3.852   6.950   7.174
   25   HG21  THR   4          1HG2      THR   4  -4.674   8.230   5.186
   26   HG22  THR   4          2HG2      THR   4  -3.359   9.349   4.821
   27   HG23  THR   4          3HG2      THR   4  -3.851   9.079   6.492
   28    H    CYS   5           H        CYS   5  -3.470   7.551   2.099
   29    HA   CYS   5           HA       CYS   5  -1.072   8.994   1.276
   30    HB2  CYS   5          2HB       CYS   5  -2.013   7.285  -0.313
   31    HB3  CYS   5          1HB       CYS   5  -3.513   8.201  -0.343
   32    HA   DPR   6           HA       DPR   6  -3.302  12.902   1.403
   33    HB2  DPR   6          1HB       DPR   6  -1.564  13.215   3.782
   34    HB3  DPR   6          2HB       DPR   6  -1.733  14.308   2.398
   35    HG2  DPR   6          1HG       DPR   6   0.464  12.841   2.684
   36    HG3  DPR   6          2HG       DPR   6  -0.279  13.032   1.087
   37    HD2  DPR   6          1HD       DPR   6  -0.432  10.725   2.974
   38    HD3  DPR   6          2HD       DPR   6  -0.183  10.754   1.213
   39    HA   PRO   7           HA       PRO   7  -5.623  12.164   5.230
   40    HB2  PRO   7          2HB       PRO   7  -7.958  13.139   4.431
   41    HB3  PRO   7          1HB       PRO   7  -6.590  14.218   4.737
   42    HG2  PRO   7          2HG       PRO   7  -7.723  13.304   2.137
   43    HG3  PRO   7          1HG       PRO   7  -7.015  14.869   2.563
   44    HD2  PRO   7          2HD       PRO   7  -5.718  12.731   1.242
   45    HD3  PRO   7          1HD       PRO   7  -4.950  14.184   1.913
   46    H    GLN   8           H        GLN   8  -5.593  10.589   2.333
   47    HA   GLN   8           HA       GLN   8  -8.108   9.135   2.680
   48    HB2  GLN   8          2HB       GLN   8  -6.219   9.340   0.354
   49    HB3  GLN   8          1HB       GLN   8  -7.670   8.354   0.366
   50    HG2  GLN   8          2HG       GLN   8  -7.583  11.339   0.704
   51    HG3  GLN   8          1HG       GLN   8  -7.979  10.487  -0.786
   52   HE21  GLN   8          1HE2      GLN   8  -9.523   8.391   0.540
   53   HE22  GLN   8          2HE2      GLN   8 -10.980   9.135   1.039
   54    H    THR   9           H        THR   9  -8.045   7.174   3.522
   55    HA   THR   9           HA       THR   9  -5.514   5.770   3.757
   56    HB   THR   9           HB       THR   9  -8.275   4.801   4.554
   57    HG1  THR   9          1HG       THR   9  -8.165   6.466   5.850
   58   HG21  THR   9          1HG2      THR   9  -7.007   3.421   6.145
   59   HG22  THR   9          2HG2      THR   9  -5.499   4.125   5.565
   60   HG23  THR   9          3HG2      THR   9  -6.470   3.116   4.493
   61    H    TYR  10           H        TYR  10  -4.824   4.306   2.518
   62    HA   TYR  10           HA       TYR  10  -6.521   3.394   0.298
   63    HB2  TYR  10          2HB       TYR  10  -4.555   4.899  -0.163
   64    HB3  TYR  10          1HB       TYR  10  -3.526   3.642   0.499
   65    HD1  TYR  10          1HD       TYR  10  -5.240   4.849  -2.327
   66    HD2  TYR  10          2HD       TYR  10  -3.513   1.411  -0.643
   67    HE1  TYR  10          1HE       TYR  10  -5.121   3.836  -4.577
   68    HE2  TYR  10          2HE       TYR  10  -3.374   0.346  -2.851
   69    HH   TYR  10           HH       TYR  10  -4.557   0.568  -5.066
   70    H    THR  11           H        THR  11  -6.708   1.192   0.120
   71    HA   THR  11           HA       THR  11  -4.933  -0.457   1.763
   72    HB   THR  11           HB       THR  11  -7.878  -0.965   1.205
   73    HG1  THR  11          1HG       THR  11  -7.524   0.638   2.725
   74   HG21  THR  11          1HG2      THR  11  -7.625  -2.862   2.762
   75   HG22  THR  11          2HG2      THR  11  -5.906  -2.505   2.920
   76   HG23  THR  11          3HG2      THR  11  -6.551  -3.051   1.374
   77    H    PHE  12           H        PHE  12  -3.917  -2.022   0.749
   78    HA   PHE  12           HA       PHE  12  -4.341  -2.170  -2.119
   79    HB2  PHE  12          2HB       PHE  12  -2.042  -1.817  -0.884
   80    HB3  PHE  12          1HB       PHE  12  -2.142  -3.556  -0.620
   81    HD1  PHE  12          1HD       PHE  12  -1.872  -0.925  -3.128
   82    HD2  PHE  12          2HD       PHE  12  -1.731  -5.105  -2.414
   83    HE1  PHE  12          1HE       PHE  12  -0.913  -1.269  -5.373
   84    HE2  PHE  12          2HE       PHE  12  -0.769  -5.454  -4.652
   85    HZ   PHE  12           HZ       PHE  12  -0.360  -3.536  -6.129
   86    HA   PRO  13           HA       PRO  13  -6.791  -5.858  -1.595
   87    HB2  PRO  13          2HB       PRO  13  -6.115  -7.022  -4.031
   88    HB3  PRO  13          1HB       PRO  13  -7.396  -5.830  -3.798
   89    HG2  PRO  13          2HG       PRO  13  -4.587  -5.429  -4.731
   90    HG3  PRO  13          1HG       PRO  13  -6.084  -4.684  -5.320
   91    HD2  PRO  13          2HD       PRO  13  -4.442  -3.340  -3.755
   92    HD3  PRO  13          1HD       PRO  13  -6.199  -3.212  -3.522
   93    H    THR  14           H        THR  14  -3.701  -6.509  -3.242
   94    HA   THR  14           HA       THR  14  -3.499  -8.997  -1.856
   95    HB   THR  14           HB       THR  14  -1.360  -9.050  -3.329
   96    HG1  THR  14          1HG       THR  14  -1.220  -7.446  -4.855
   97   HG21  THR  14          1HG2      THR  14  -2.679  -9.831  -5.252
   98   HG22  THR  14          2HG2      THR  14  -4.105  -9.031  -4.594
   99   HG23  THR  14          3HG2      THR  14  -3.387 -10.396  -3.738
  100    H    CYS  15           H        CYS  15  -3.042  -8.439   0.234
  101    HA   CYS  15           HA       CYS  15  -1.093  -6.505   0.978
  102    HB2  CYS  15          2HB       CYS  15  -2.992  -7.329   2.450
  103    HB3  CYS  15          1HB       CYS  15  -2.115  -8.836   2.621
  104    H    GLU  16           H        GLU  16  -1.112  -9.878   0.284
  105    HA   GLU  16           HA       GLU  16   1.367 -10.787   1.128
  106    HB2  GLU  16          2HB       GLU  16   0.138 -11.485  -1.550
  107    HB3  GLU  16          1HB       GLU  16   1.185 -12.488  -0.571
  108    HG2  GLU  16          2HG       GLU  16  -0.928 -13.451  -0.337
  109    HG3  GLU  16          1HG       GLU  16  -0.744 -12.501   1.133
  110    H    GLU  17           H        GLU  17   0.394  -9.006  -1.681
  111    HA   GLU  17           HA       GLU  17   3.009  -8.968  -2.865
  112    HB2  GLU  17          2HB       GLU  17   1.039  -9.177  -4.258
  113    HB3  GLU  17          1HB       GLU  17   0.391  -7.685  -3.609
  114    HG2  GLU  17          2HG       GLU  17   2.086  -6.406  -4.709
  115    HG3  GLU  17          1HG       GLU  17   2.909  -7.878  -5.236
  116    H    ALA  18           H        ALA  18   0.809  -6.705  -1.256
  117    HA   ALA  18           HA       ALA  18   2.342  -4.375  -1.595
  118    HB1  ALA  18          1HB       ALA  18   0.375  -4.947   0.599
  119    HB2  ALA  18          2HB       ALA  18  -0.038  -4.392  -1.023
  120    HB3  ALA  18          3HB       ALA  18   0.913  -3.361   0.050
  121    H    LYS  19           H        LYS  19   2.827  -6.958   0.607
  122    HA   LYS  19           HA       LYS  19   4.417  -5.423   2.427
  123    HB2  LYS  19          2HB       LYS  19   4.113  -8.402   2.031
  124    HB3  LYS  19          1HB       LYS  19   5.232  -7.729   3.212
  125    HG2  LYS  19          2HG       LYS  19   3.428  -6.655   4.398
  126    HG3  LYS  19          1HG       LYS  19   2.277  -7.139   3.160
  127    HD2  LYS  19          2HD       LYS  19   3.822  -9.068   4.906
  128    HD3  LYS  19          1HD       LYS  19   2.182  -8.513   5.244
  129    HE2  LYS  19          2HE       LYS  19   1.502  -9.422   3.016
  130    HE3  LYS  19          1HE       LYS  19   3.116 -10.110   2.861
  131    HZ1  LYS  19          1HZ       LYS  19   1.192 -10.738   5.024
  132    HZ2  LYS  19          2HZ       LYS  19   2.698 -11.487   4.800
  133    HZ3  LYS  19          3HZ       LYS  19   1.468 -11.686   3.676
  134    H    LYS  20           H        LYS  20   4.908  -6.395  -0.658
  135    HA   LYS  20           HA       LYS  20   7.815  -6.023  -0.444
  136    HB2  LYS  20          2HB       LYS  20   7.191  -8.281  -1.245
  137    HB3  LYS  20          1HB       LYS  20   6.260  -7.553  -2.544
  138    HG2  LYS  20          2HG       LYS  20   8.319  -6.578  -3.449
  139    HG3  LYS  20          1HG       LYS  20   9.236  -7.356  -2.158
  140    HD2  LYS  20          2HD       LYS  20   8.523  -9.545  -2.945
  141    HD3  LYS  20          1HD       LYS  20   7.554  -8.785  -4.204
  142    HE2  LYS  20          2HE       LYS  20   9.671  -9.599  -5.104
  143    HE3  LYS  20          1HE       LYS  20   9.576  -7.847  -5.207
  144    HZ1  LYS  20          1HZ       LYS  20  11.747  -8.641  -4.430
  145    HZ2  LYS  20          2HZ       LYS  20  11.029  -9.317  -3.066
  146    HZ3  LYS  20          3HZ       LYS  20  10.995  -7.659  -3.305
  147    H    MET  21           H        MET  21   4.915  -5.486  -2.364
  148    HA   MET  21           HA       MET  21   6.044  -3.429  -4.014
  149    HB2  MET  21          2HB       MET  21   4.243  -4.879  -4.840
  150    HB3  MET  21          1HB       MET  21   3.194  -4.353  -3.540
  151    HG2  MET  21          2HG       MET  21   2.533  -3.267  -5.561
  152    HG3  MET  21          1HG       MET  21   3.244  -2.069  -4.484
  153    HE1  MET  21          1HE       MET  21   3.459  -0.364  -6.505
  154    HE2  MET  21          2HE       MET  21   2.725  -1.573  -7.556
  155    HE3  MET  21          3HE       MET  21   4.216  -0.775  -8.047
  156    H    LYS  22           H        LYS  22   6.653  -1.653  -2.898
  157    HA   LYS  22           HA       LYS  22   5.214  -0.765  -0.588
  158    HB2  LYS  22          2HB       LYS  22   7.485   0.597  -2.050
  159    HB3  LYS  22          1HB       LYS  22   6.842   1.027  -0.481
  160    HG2  LYS  22          2HG       LYS  22   7.615  -1.043   0.474
  161    HG3  LYS  22          1HG       LYS  22   8.154  -1.607  -1.107
  162    HD2  LYS  22          2HD       LYS  22  10.056  -0.780   0.189
  163    HD3  LYS  22          1HD       LYS  22   9.770   0.253  -1.209
  164    HE2  LYS  22          2HE       LYS  22   8.633   1.870   0.211
  165    HE3  LYS  22          1HE       LYS  22   8.860   0.829   1.614
  166    HZ1  LYS  22          1HZ       LYS  22  10.480   2.595   1.520
  167    HZ2  LYS  22          2HZ       LYS  22  11.028   2.098   0.018
  168    HZ3  LYS  22          3HZ       LYS  22  11.252   1.111   1.361
  169    H    LYS  23           H        LYS  23   3.400   0.255  -0.792
  170    HA   LYS  23           HA       LYS  23   3.075   2.262  -2.879
  171    HB2  LYS  23          2HB       LYS  23   1.150   0.534  -1.384
  172    HB3  LYS  23          1HB       LYS  23   0.600   2.085  -1.987
  173    HG2  LYS  23          2HG       LYS  23   1.865  -0.037  -3.714
  174    HG3  LYS  23          1HG       LYS  23   0.125   0.125  -3.471
  175    HD2  LYS  23          2HD       LYS  23   1.902   2.310  -4.578
  176    HD3  LYS  23          1HD       LYS  23   0.944   1.205  -5.568
  177    HE2  LYS  23          2HE       LYS  23  -1.105   2.061  -4.534
  178    HE3  LYS  23          1HE       LYS  23  -0.161   3.129  -3.504
  179    HZ1  LYS  23          1HZ       LYS  23  -0.253   3.271  -6.471
  180    HZ2  LYS  23          2HZ       LYS  23   0.588   4.321  -5.459
  181    HZ3  LYS  23          3HZ       LYS  23  -1.092   4.273  -5.417
  182    H    ARG  24           H        ARG  24   3.540   4.214  -2.199
  183    HA   ARG  24           HA       ARG  24   2.338   5.288   0.167
  184    HB2  ARG  24          2HB       ARG  24   4.389   4.302   1.110
  185    HB3  ARG  24          1HB       ARG  24   5.356   5.144  -0.088
  186    HG2  ARG  24          2HG       ARG  24   4.656   7.291   0.883
  187    HG3  ARG  24          1HG       ARG  24   3.721   6.415   2.092
  188    HD2  ARG  24          2HD       ARG  24   5.716   5.421   2.988
  189    HD3  ARG  24          1HD       ARG  24   6.704   6.127   1.717
  190    HE   ARG  24           HE       ARG  24   5.492   7.495   3.986
  191   HH11  ARG  24          1HH1      ARG  24   7.460   7.694   1.064
  192   HH12  ARG  24          2HH1      ARG  24   8.156   9.198   1.448
  193   HH21  ARG  24          1HH2      ARG  24   6.510   9.597   4.533
  194   HH22  ARG  24          2HH2      ARG  24   7.629  10.282   3.467
  195    H    CYS  25           H        CYS  25   2.214   7.535   0.011
  196    HA   CYS  25           HA       CYS  25   2.856   8.518  -2.642
  197    HB2  CYS  25          2HB       CYS  25   1.040   9.658  -0.502
  198    HB3  CYS  25          1HB       CYS  25   1.248  10.326  -2.117
  Start of MODEL    5
    1    H1   CYS   1          1HT       CYS   1  -4.038  -4.381   5.732
    2    H2   CYS   1          2HT       CYS   1  -3.152  -5.767   5.325
    3    H3   CYS   1          3HT       CYS   1  -4.173  -5.018   4.181
    4    HA   CYS   1           HA       CYS   1  -1.832  -3.774   5.391
    5    HB2  CYS   1          2HB       CYS   1  -2.218  -5.215   2.790
    6    HB3  CYS   1          1HB       CYS   1  -0.984  -3.986   2.965
    7    H    SER   2           H        SER   2  -2.533  -1.689   5.636
    8    HA   SER   2           HA       SER   2  -3.488  -0.443   3.192
    9    HB2  SER   2          2HB       SER   2  -4.466   0.182   5.980
   10    HB3  SER   2          1HB       SER   2  -4.922   1.041   4.519
   11    HG   SER   2           HG       SER   2  -6.309  -0.441   4.069
   12    H    TYR   3           H        TYR   3  -2.771   1.512   2.807
   13    HA   TYR   3           HA       TYR   3  -0.508   2.502   4.391
   14    HB2  TYR   3          2HB       TYR   3   0.272   1.712   2.245
   15    HB3  TYR   3          1HB       TYR   3  -1.063   2.483   1.406
   16    HD1  TYR   3          1HD       TYR   3  -0.813   4.619   0.514
   17    HD2  TYR   3          2HD       TYR   3   2.015   3.226   3.366
   18    HE1  TYR   3          1HE       TYR   3   0.527   6.590   0.114
   19    HE2  TYR   3          2HE       TYR   3   3.383   5.217   2.979
   20    HH   TYR   3           HH       TYR   3   2.320   7.917   1.626
   21    H    THR   4           H        THR   4  -0.404   4.875   4.492
   22    HA   THR   4           HA       THR   4  -3.040   6.049   4.069
   23    HB   THR   4           HB       THR   4  -0.909   6.933   6.012
   24    HG1  THR   4          1HG       THR   4  -2.152   4.825   6.310
   25   HG21  THR   4          1HG2      THR   4  -3.801   7.728   5.666
   26   HG22  THR   4          2HG2      THR   4  -2.401   8.726   5.280
   27   HG23  THR   4          3HG2      THR   4  -2.733   8.278   6.955
   28    H    CYS   5           H        CYS   5  -3.130   7.360   2.428
   29    HA   CYS   5           HA       CYS   5  -0.729   8.838   1.642
   30    HB2  CYS   5          2HB       CYS   5  -1.583   7.117  -0.001
   31    HB3  CYS   5          1HB       CYS   5  -3.100   7.997  -0.049
   32    HA   DPR   6           HA       DPR   6  -3.064  12.656   2.164
   33    HB2  DPR   6          1HB       DPR   6  -1.887  12.402   4.884
   34    HB3  DPR   6          2HB       DPR   6  -1.864  13.815   3.811
   35    HG2  DPR   6          1HG       DPR   6   0.321  12.379   4.155
   36    HG3  DPR   6          2HG       DPR   6  -0.129  12.909   2.521
   37    HD2  DPR   6          1HD       DPR   6  -0.443  10.215   3.797
   38    HD3  DPR   6          2HD       DPR   6   0.065  10.640   2.148
   39    HA   PRO   7           HA       PRO   7  -6.221  11.451   5.181
   40    HB2  PRO   7          2HB       PRO   7  -8.354  12.259   3.795
   41    HB3  PRO   7          1HB       PRO   7  -7.271  13.426   4.561
   42    HG2  PRO   7          2HG       PRO   7  -7.497  12.648   1.693
   43    HG3  PRO   7          1HG       PRO   7  -7.137  14.228   2.404
   44    HD2  PRO   7          2HD       PRO   7  -5.259  12.431   1.360
   45    HD3  PRO   7          1HD       PRO   7  -4.902  13.811   2.418
   46    H    GLN   8           H        GLN   8  -5.510  10.188   2.139
   47    HA   GLN   8           HA       GLN   8  -7.854   8.486   1.931
   48    HB2  GLN   8          2HB       GLN   8  -6.992   9.582  -0.080
   49    HB3  GLN   8          1HB       GLN   8  -5.448   8.783   0.136
   50    HG2  GLN   8          2HG       GLN   8  -6.554   6.598  -0.171
   51    HG3  GLN   8          1HG       GLN   8  -8.078   7.434  -0.448
   52   HE21  GLN   8          1HE2      GLN   8  -6.855   9.596  -1.970
   53   HE22  GLN   8          2HE2      GLN   8  -6.419   8.937  -3.494
   54    H    THR   9           H        THR   9  -7.863   6.616   2.961
   55    HA   THR   9           HA       THR   9  -5.393   5.274   3.618
   56    HB   THR   9           HB       THR   9  -8.253   4.313   3.968
   57    HG1  THR   9          1HG       THR   9  -6.657   5.615   5.937
   58   HG21  THR   9          1HG2      THR   9  -7.277   2.946   5.780
   59   HG22  THR   9          2HG2      THR   9  -5.679   3.596   5.407
   60   HG23  THR   9          3HG2      THR   9  -6.519   2.587   4.229
   61    H    TYR  10           H        TYR  10  -4.405   4.312   2.194
   62    HA   TYR  10           HA       TYR  10  -5.712   3.425  -0.227
   63    HB2  TYR  10          2HB       TYR  10  -3.671   4.916  -0.214
   64    HB3  TYR  10          1HB       TYR  10  -2.780   3.573   0.469
   65    HD1  TYR  10          1HD       TYR  10  -4.675   4.691  -2.397
   66    HD2  TYR  10          2HD       TYR  10  -1.966   1.854  -0.893
   67    HE1  TYR  10          1HE       TYR  10  -4.271   3.901  -4.711
   68    HE2  TYR  10          2HE       TYR  10  -1.516   1.018  -3.180
   69    HH   TYR  10           HH       TYR  10  -2.691   0.999  -5.369
   70    H    THR  11           H        THR  11  -6.523   1.439   0.098
   71    HA   THR  11           HA       THR  11  -4.934  -0.485   1.614
   72    HB   THR  11           HB       THR  11  -7.779  -0.793   0.612
   73    HG1  THR  11          1HG       THR  11  -8.084   0.739   2.044
   74   HG21  THR  11          1HG2      THR  11  -7.897  -2.532   2.356
   75   HG22  THR  11          2HG2      THR  11  -6.227  -2.194   2.805
   76   HG23  THR  11          3HG2      THR  11  -6.588  -2.878   1.223
   77    H    PHE  12           H        PHE  12  -3.805  -1.912   0.665
   78    HA   PHE  12           HA       PHE  12  -3.939  -2.116  -2.210
   79    HB2  PHE  12          2HB       PHE  12  -1.809  -1.940  -0.711
   80    HB3  PHE  12          1HB       PHE  12  -2.126  -3.636  -0.363
   81    HD1  PHE  12          1HD       PHE  12  -1.112  -1.236  -2.850
   82    HD2  PHE  12          2HD       PHE  12  -1.784  -5.331  -2.050
   83    HE1  PHE  12          1HE       PHE  12   0.125  -1.833  -4.912
   84    HE2  PHE  12          2HE       PHE  12  -0.569  -5.948  -4.100
   85    HZ   PHE  12           HZ       PHE  12   0.390  -4.202  -5.528
   86    HA   PRO  13           HA       PRO  13  -6.856  -5.438  -1.890
   87    HB2  PRO  13          2HB       PRO  13  -6.002  -6.862  -4.150
   88    HB3  PRO  13          1HB       PRO  13  -7.221  -5.590  -4.123
   89    HG2  PRO  13          2HG       PRO  13  -4.347  -5.449  -4.853
   90    HG3  PRO  13          1HG       PRO  13  -5.720  -4.547  -5.518
   91    HD2  PRO  13          2HD       PRO  13  -3.951  -3.422  -3.835
   92    HD3  PRO  13          1HD       PRO  13  -5.676  -2.985  -3.799
   93    H    THR  14           H        THR  14  -3.589  -6.484  -2.846
   94    HA   THR  14           HA       THR  14  -3.997  -8.894  -1.308
   95    HB   THR  14           HB       THR  14  -1.944  -9.629  -2.646
   96    HG1  THR  14          1HG       THR  14  -1.278  -8.346  -4.240
   97   HG21  THR  14          1HG2      THR  14  -4.236 -10.367  -3.141
   98   HG22  THR  14          2HG2      THR  14  -3.306 -10.125  -4.623
   99   HG23  THR  14          3HG2      THR  14  -4.487  -8.919  -4.115
  100    H    CYS  15           H        CYS  15  -3.307  -8.685   0.681
  101    HA   CYS  15           HA       CYS  15  -1.417  -6.769   1.547
  102    HB2  CYS  15          2HB       CYS  15  -3.292  -7.548   2.933
  103    HB3  CYS  15          1HB       CYS  15  -2.617  -9.158   2.972
  104    H    GLU  16           H        GLU  16  -1.161  -9.956   0.337
  105    HA   GLU  16           HA       GLU  16   1.345 -10.759   1.347
  106    HB2  GLU  16          2HB       GLU  16   0.496 -11.227  -1.512
  107    HB3  GLU  16          1HB       GLU  16   1.500 -12.248  -0.505
  108    HG2  GLU  16          2HG       GLU  16  -0.448 -13.426  -0.647
  109    HG3  GLU  16          1HG       GLU  16  -0.658 -12.579   0.882
  110    H    GLU  17           H        GLU  17   0.463  -9.159  -1.639
  111    HA   GLU  17           HA       GLU  17   3.132  -8.579  -2.392
  112    HB2  GLU  17          2HB       GLU  17   1.454  -9.091  -4.038
  113    HB3  GLU  17          1HB       GLU  17   0.472  -7.742  -3.508
  114    HG2  GLU  17          2HG       GLU  17   2.047  -6.173  -4.378
  115    HG3  GLU  17          1HG       GLU  17   3.207  -7.457  -4.721
  116    H    ALA  18           H        ALA  18   0.631  -6.887  -0.708
  117    HA   ALA  18           HA       ALA  18   1.496  -4.264  -0.972
  118    HB1  ALA  18          1HB       ALA  18  -0.617  -4.986   0.044
  119    HB2  ALA  18          2HB       ALA  18   0.246  -3.793   1.013
  120    HB3  ALA  18          3HB       ALA  18   0.280  -5.493   1.475
  121    H    LYS  19           H        LYS  19   2.873  -6.825   0.940
  122    HA   LYS  19           HA       LYS  19   4.503  -4.965   2.434
  123    HB2  LYS  19          2HB       LYS  19   4.444  -7.975   2.435
  124    HB3  LYS  19          1HB       LYS  19   5.495  -7.013   3.464
  125    HG2  LYS  19          2HG       LYS  19   3.470  -5.953   4.453
  126    HG3  LYS  19          1HG       LYS  19   2.480  -7.059   3.502
  127    HD2  LYS  19          2HD       LYS  19   4.551  -7.893   5.535
  128    HD3  LYS  19          1HD       LYS  19   2.818  -7.814   5.836
  129    HE2  LYS  19          2HE       LYS  19   4.127  -9.551   3.739
  130    HE3  LYS  19          1HE       LYS  19   3.650 -10.095   5.340
  131    HZ1  LYS  19          1HZ       LYS  19   1.374  -9.582   4.820
  132    HZ2  LYS  19          2HZ       LYS  19   1.983 -10.664   3.709
  133    HZ3  LYS  19          3HZ       LYS  19   1.768  -9.042   3.275
  134    H    LYS  20           H        LYS  20   4.599  -6.176  -0.563
  135    HA   LYS  20           HA       LYS  20   7.541  -6.157  -0.736
  136    HB2  LYS  20          2HB       LYS  20   6.418  -8.241  -1.483
  137    HB3  LYS  20          1HB       LYS  20   5.478  -7.307  -2.632
  138    HG2  LYS  20          2HG       LYS  20   7.552  -6.709  -3.813
  139    HG3  LYS  20          1HG       LYS  20   8.464  -7.698  -2.669
  140    HD2  LYS  20          2HD       LYS  20   7.144  -9.661  -3.344
  141    HD3  LYS  20          1HD       LYS  20   6.294  -8.667  -4.525
  142    HE2  LYS  20          2HE       LYS  20   9.257  -9.228  -4.484
  143    HE3  LYS  20          1HE       LYS  20   8.083  -9.984  -5.556
  144    HZ1  LYS  20          1HZ       LYS  20   7.627  -7.739  -6.478
  145    HZ2  LYS  20          2HZ       LYS  20   9.202  -8.244  -6.698
  146    HZ3  LYS  20          3HZ       LYS  20   8.880  -7.111  -5.535
  147    H    MET  21           H        MET  21   4.526  -4.948  -2.036
  148    HA   MET  21           HA       MET  21   5.908  -2.795  -3.451
  149    HB2  MET  21          2HB       MET  21   4.866  -4.393  -4.999
  150    HB3  MET  21          1HB       MET  21   3.347  -4.237  -4.133
  151    HG2  MET  21          2HG       MET  21   3.292  -2.959  -6.179
  152    HG3  MET  21          1HG       MET  21   3.191  -1.900  -4.780
  153    HE1  MET  21          1HE       MET  21   6.402  -3.673  -6.266
  154    HE2  MET  21          2HE       MET  21   6.981  -2.430  -7.372
  155    HE3  MET  21          3HE       MET  21   5.447  -3.239  -7.682
  156    H    LYS  22           H        LYS  22   5.551  -0.984  -2.312
  157    HA   LYS  22           HA       LYS  22   2.841  -0.561  -1.271
  158    HB2  LYS  22          2HB       LYS  22   3.751   0.754   0.567
  159    HB3  LYS  22          1HB       LYS  22   4.396  -0.876   0.601
  160    HG2  LYS  22          2HG       LYS  22   6.491  -0.069  -0.368
  161    HG3  LYS  22          1HG       LYS  22   5.825   1.565  -0.431
  162    HD2  LYS  22          2HD       LYS  22   5.559   1.546   1.988
  163    HD3  LYS  22          1HD       LYS  22   6.237  -0.077   2.052
  164    HE2  LYS  22          2HE       LYS  22   8.342   0.767   1.125
  165    HE3  LYS  22          1HE       LYS  22   7.656   2.390   1.051
  166    HZ1  LYS  22          1HZ       LYS  22   8.126   0.796   3.507
  167    HZ2  LYS  22          2HZ       LYS  22   7.448   2.343   3.495
  168    HZ3  LYS  22          3HZ       LYS  22   9.041   2.105   2.997
  169    H    LYS  23           H        LYS  23   2.208   1.688  -1.176
  170    HA   LYS  23           HA       LYS  23   3.159   3.104  -3.530
  171    HB2  LYS  23          2HB       LYS  23   0.696   2.823  -3.077
  172    HB3  LYS  23          1HB       LYS  23   0.892   3.803  -1.632
  173    HG2  LYS  23          2HG       LYS  23   1.604   5.692  -3.014
  174    HG3  LYS  23          1HG       LYS  23   1.394   4.703  -4.456
  175    HD2  LYS  23          2HD       LYS  23  -0.999   4.473  -3.920
  176    HD3  LYS  23          1HD       LYS  23  -0.764   5.505  -2.508
  177    HE2  LYS  23          2HE       LYS  23  -1.652   6.832  -4.331
  178    HE3  LYS  23          1HE       LYS  23   0.000   7.321  -3.997
  179    HZ1  LYS  23          1HZ       LYS  23   0.724   5.976  -5.911
  180    HZ2  LYS  23          2HZ       LYS  23  -0.369   7.160  -6.349
  181    HZ3  LYS  23          3HZ       LYS  23  -0.885   5.566  -6.227
  182    H    ARG  24           H        ARG  24   3.919   5.307  -3.377
  183    HA   ARG  24           HA       ARG  24   4.793   6.080  -0.695
  184    HB2  ARG  24          2HB       ARG  24   6.661   5.129  -1.986
  185    HB3  ARG  24          1HB       ARG  24   6.349   6.276  -3.276
  186    HG2  ARG  24          2HG       ARG  24   6.838   8.106  -1.702
  187    HG3  ARG  24          1HG       ARG  24   7.291   6.904  -0.487
  188    HD2  ARG  24          2HD       ARG  24   8.556   7.290  -3.197
  189    HD3  ARG  24          1HD       ARG  24   9.265   7.750  -1.650
  190    HE   ARG  24           HE       ARG  24   8.977   5.209  -1.196
  191   HH11  ARG  24          1HH1      ARG  24  10.031   6.699  -4.238
  192   HH12  ARG  24          2HH1      ARG  24  10.939   5.343  -4.719
  193   HH21  ARG  24          1HH2      ARG  24  10.211   3.405  -1.845
  194   HH22  ARG  24          2HH2      ARG  24  11.063   3.412  -3.323
  195    H    CYS  25           H        CYS  25   3.380   7.712  -0.362
  196    HA   CYS  25           HA       CYS  25   3.007   9.677  -2.482
  197    HB2  CYS  25          2HB       CYS  25   1.619   9.408   0.201
  198    HB3  CYS  25          1HB       CYS  25   1.196  10.556  -1.067
  Start of MODEL    6
    1    H1   CYS   1          1HT       CYS   1  -4.107  -5.092   6.564
    2    H2   CYS   1          2HT       CYS   1  -3.177  -6.393   6.007
    3    H3   CYS   1          3HT       CYS   1  -4.483  -5.803   5.082
    4    HA   CYS   1           HA       CYS   1  -2.060  -4.307   5.759
    5    HB2  CYS   1          2HB       CYS   1  -2.908  -5.643   3.203
    6    HB3  CYS   1          1HB       CYS   1  -1.632  -4.437   3.289
    7    H    SER   2           H        SER   2  -2.832  -2.337   6.183
    8    HA   SER   2           HA       SER   2  -4.537  -1.160   4.135
    9    HB2  SER   2          2HB       SER   2  -4.065  -0.181   6.943
   10    HB3  SER   2          1HB       SER   2  -5.284   0.383   5.813
   11    HG   SER   2           HG       SER   2  -6.122  -1.095   7.391
   12    H    TYR   3           H        TYR   3  -3.772   0.647   3.197
   13    HA   TYR   3           HA       TYR   3  -0.993   1.380   3.779
   14    HB2  TYR   3          2HB       TYR   3  -1.137   0.189   1.672
   15    HB3  TYR   3          1HB       TYR   3  -2.481   1.196   1.150
   16    HD1  TYR   3          1HD       TYR   3   1.134   1.299   1.998
   17    HD2  TYR   3          2HD       TYR   3  -2.076   3.147  -0.085
   18    HE1  TYR   3          1HE       TYR   3   2.708   2.810   0.924
   19    HE2  TYR   3          2HE       TYR   3  -0.523   4.672  -1.158
   20    HH   TYR   3           HH       TYR   3   1.683   5.585  -0.801
   21    H    THR   4           H        THR   4  -0.535   3.596   3.652
   22    HA   THR   4           HA       THR   4  -2.931   5.274   3.615
   23    HB   THR   4           HB       THR   4  -0.305   5.869   5.015
   24    HG1  THR   4          1HG       THR   4  -1.514   4.081   5.873
   25   HG21  THR   4          1HG2      THR   4  -3.040   7.169   5.215
   26   HG22  THR   4          2HG2      THR   4  -1.634   7.868   4.409
   27   HG23  THR   4          3HG2      THR   4  -1.615   7.614   6.155
   28    H    CYS   5           H        CYS   5  -3.125   6.588   1.966
   29    HA   CYS   5           HA       CYS   5  -0.689   7.351   0.555
   30    HB2  CYS   5          2HB       CYS   5  -2.288   5.718  -0.639
   31    HB3  CYS   5          1HB       CYS   5  -3.421   7.059  -0.696
   32    HA   DPR   6           HA       DPR   6  -2.056  11.611   0.840
   33    HB2  DPR   6          1HB       DPR   6  -0.282  11.489   3.228
   34    HB3  DPR   6          2HB       DPR   6  -0.261  12.670   1.909
   35    HG2  DPR   6          1HG       DPR   6   1.616  10.820   2.045
   36    HG3  DPR   6          2HG       DPR   6   0.861  11.181   0.480
   37    HD2  DPR   6          1HD       DPR   6   0.341   8.896   2.353
   38    HD3  DPR   6          2HD       DPR   6   0.533   8.899   0.584
   39    HA   PRO   7           HA       PRO   7  -4.451  11.567   4.700
   40    HB2  PRO   7          2HB       PRO   7  -6.544  12.945   3.829
   41    HB3  PRO   7          1HB       PRO   7  -4.986  13.744   4.061
   42    HG2  PRO   7          2HG       PRO   7  -6.306  12.870   1.533
   43    HG3  PRO   7          1HG       PRO   7  -5.303  14.297   1.840
   44    HD2  PRO   7          2HD       PRO   7  -4.439  11.882   0.676
   45    HD3  PRO   7          1HD       PRO   7  -3.407  13.184   1.300
   46    H    GLN   8           H        GLN   8  -4.688   9.636   2.133
   47    HA   GLN   8           HA       GLN   8  -7.448   8.758   2.636
   48    HB2  GLN   8          2HB       GLN   8  -5.726   8.333   0.198
   49    HB3  GLN   8          1HB       GLN   8  -7.391   7.814   0.392
   50    HG2  GLN   8          2HG       GLN   8  -8.137  10.110   0.478
   51    HG3  GLN   8          1HG       GLN   8  -6.470  10.680   0.415
   52   HE21  GLN   8          1HE2      GLN   8  -6.783  11.828  -1.475
   53   HE22  GLN   8          2HE2      GLN   8  -7.010  11.063  -2.998
   54    H    THR   9           H        THR   9  -7.726   6.746   3.386
   55    HA   THR   9           HA       THR   9  -5.387   5.034   3.644
   56    HB   THR   9           HB       THR   9  -8.174   4.692   4.820
   57    HG1  THR   9          1HG       THR   9  -7.094   6.499   5.687
   58   HG21  THR   9          1HG2      THR   9  -6.928   2.579   4.603
   59   HG22  THR   9          2HG2      THR   9  -7.070   3.048   6.300
   60   HG23  THR   9          3HG2      THR   9  -5.553   3.302   5.439
   61    H    TYR  10           H        TYR  10  -5.015   3.513   2.375
   62    HA   TYR  10           HA       TYR  10  -7.066   2.784   0.430
   63    HB2  TYR  10          2HB       TYR  10  -4.921   3.970  -0.306
   64    HB3  TYR  10          1HB       TYR  10  -4.075   2.513   0.186
   65    HD1  TYR  10          1HD       TYR  10  -4.365   0.432  -1.083
   66    HD2  TYR  10          2HD       TYR  10  -6.229   4.038  -2.232
   67    HE1  TYR  10          1HE       TYR  10  -4.811  -0.542  -3.314
   68    HE2  TYR  10          2HE       TYR  10  -6.704   3.108  -4.475
   69    HH   TYR  10           HH       TYR  10  -6.493  -0.158  -5.145
   70    H    THR  11           H        THR  11  -7.817   0.774   0.793
   71    HA   THR  11           HA       THR  11  -6.160  -1.041   2.336
   72    HB   THR  11           HB       THR  11  -8.927  -1.506   1.201
   73    HG1  THR  11          1HG       THR  11  -8.845   0.240   2.700
   74   HG21  THR  11          1HG2      THR  11  -7.393  -2.890   3.414
   75   HG22  THR  11          2HG2      THR  11  -7.704  -3.548   1.808
   76   HG23  THR  11          3HG2      THR  11  -9.042  -3.279   2.927
   77    H    PHE  12           H        PHE  12  -4.735  -2.050   1.268
   78    HA   PHE  12           HA       PHE  12  -4.751  -2.134  -1.575
   79    HB2  PHE  12          2HB       PHE  12  -2.756  -1.998   0.165
   80    HB3  PHE  12          1HB       PHE  12  -2.877  -3.753   0.091
   81    HD1  PHE  12          1HD       PHE  12  -2.292  -4.955  -1.952
   82    HD2  PHE  12          2HD       PHE  12  -1.976  -0.732  -1.682
   83    HE1  PHE  12          1HE       PHE  12  -0.908  -4.938  -3.978
   84    HE2  PHE  12          2HE       PHE  12  -0.582  -0.697  -3.712
   85    HZ   PHE  12           HZ       PHE  12  -0.043  -2.801  -4.862
   86    HA   PRO  13           HA       PRO  13  -7.277  -5.783  -1.902
   87    HB2  PRO  13          2HB       PRO  13  -6.138  -6.667  -4.323
   88    HB3  PRO  13          1HB       PRO  13  -7.537  -5.605  -4.162
   89    HG2  PRO  13          2HG       PRO  13  -4.691  -4.923  -4.692
   90    HG3  PRO  13          1HG       PRO  13  -6.163  -4.129  -5.274
   91    HD2  PRO  13          2HD       PRO  13  -4.639  -3.085  -3.342
   92    HD3  PRO  13          1HD       PRO  13  -6.405  -2.902  -3.322
   93    H    THR  14           H        THR  14  -3.959  -6.335  -3.096
   94    HA   THR  14           HA       THR  14  -4.007  -8.861  -1.760
   95    HB   THR  14           HB       THR  14  -1.765  -9.058  -3.083
   96    HG1  THR  14          1HG       THR  14  -1.731  -7.766  -4.882
   97   HG21  THR  14          1HG2      THR  14  -3.801 -10.339  -3.569
   98   HG22  THR  14          2HG2      THR  14  -3.035  -9.796  -5.064
   99   HG23  THR  14          3HG2      THR  14  -4.458  -8.959  -4.449
  100    H    CYS  15           H        CYS  15  -3.446  -8.792   0.227
  101    HA   CYS  15           HA       CYS  15  -1.946  -6.796   1.521
  102    HB2  CYS  15          2HB       CYS  15  -3.703  -8.166   2.571
  103    HB3  CYS  15          1HB       CYS  15  -2.700  -9.588   2.399
  104    H    GLU  16           H        GLU  16  -1.003  -9.772  -0.049
  105    HA   GLU  16           HA       GLU  16   1.581  -9.830   1.115
  106    HB2  GLU  16          2HB       GLU  16   0.562 -11.113  -1.424
  107    HB3  GLU  16          1HB       GLU  16   2.149 -11.413  -0.722
  108    HG2  GLU  16          2HG       GLU  16  -0.521 -12.038   0.530
  109    HG3  GLU  16          1HG       GLU  16   0.655 -13.196  -0.093
  110    H    GLU  17           H        GLU  17   0.290  -8.501  -1.891
  111    HA   GLU  17           HA       GLU  17   2.810  -7.510  -2.762
  112    HB2  GLU  17          2HB       GLU  17   0.006  -6.865  -3.612
  113    HB3  GLU  17          1HB       GLU  17   1.432  -6.155  -4.362
  114    HG2  GLU  17          2HG       GLU  17   2.193  -8.357  -5.012
  115    HG3  GLU  17          1HG       GLU  17   0.795  -9.078  -4.215
  116    H    ALA  18           H        ALA  18   0.378  -6.343  -0.646
  117    HA   ALA  18           HA       ALA  18   1.035  -3.617  -0.620
  118    HB1  ALA  18          1HB       ALA  18  -0.933  -4.556   0.487
  119    HB2  ALA  18          2HB       ALA  18   0.009  -3.540   1.577
  120    HB3  ALA  18          3HB       ALA  18   0.105  -5.300   1.703
  121    H    LYS  19           H        LYS  19   2.680  -6.363   0.678
  122    HA   LYS  19           HA       LYS  19   4.481  -4.777   2.274
  123    HB2  LYS  19          2HB       LYS  19   4.371  -7.714   1.635
  124    HB3  LYS  19          1HB       LYS  19   5.694  -6.998   2.546
  125    HG2  LYS  19          2HG       LYS  19   4.103  -6.221   4.240
  126    HG3  LYS  19          1HG       LYS  19   2.784  -6.957   3.328
  127    HD2  LYS  19          2HD       LYS  19   5.153  -8.541   4.268
  128    HD3  LYS  19          1HD       LYS  19   3.755  -8.288   5.302
  129    HE2  LYS  19          2HE       LYS  19   3.680  -9.545   2.553
  130    HE3  LYS  19          1HE       LYS  19   3.705 -10.439   4.071
  131    HZ1  LYS  19          1HZ       LYS  19   1.472 -10.266   3.264
  132    HZ2  LYS  19          2HZ       LYS  19   1.544  -8.585   3.177
  133    HZ3  LYS  19          3HZ       LYS  19   1.614  -9.362   4.675
  134    H    LYS  20           H        LYS  20   4.209  -5.630  -0.954
  135    HA   LYS  20           HA       LYS  20   7.054  -5.331  -1.464
  136    HB2  LYS  20          2HB       LYS  20   5.684  -7.056  -2.709
  137    HB3  LYS  20          1HB       LYS  20   4.776  -5.741  -3.435
  138    HG2  LYS  20          2HG       LYS  20   6.440  -6.571  -4.992
  139    HG3  LYS  20          1HG       LYS  20   6.845  -4.924  -4.495
  140    HD2  LYS  20          2HD       LYS  20   8.448  -5.805  -2.872
  141    HD3  LYS  20          1HD       LYS  20   8.028  -7.448  -3.354
  142    HE2  LYS  20          2HE       LYS  20   8.903  -7.019  -5.586
  143    HE3  LYS  20          1HE       LYS  20   9.264  -5.352  -5.131
  144    HZ1  LYS  20          1HZ       LYS  20  11.248  -6.737  -4.974
  145    HZ2  LYS  20          2HZ       LYS  20  10.468  -7.766  -3.898
  146    HZ3  LYS  20          3HZ       LYS  20  10.789  -6.183  -3.454
  147    H    MET  21           H        MET  21   3.987  -3.780  -1.749
  148    HA   MET  21           HA       MET  21   4.564  -1.547  -3.287
  149    HB2  MET  21          2HB       MET  21   2.294  -2.217  -2.829
  150    HB3  MET  21          1HB       MET  21   2.529  -1.972  -1.107
  151    HG2  MET  21          2HG       MET  21   1.238  -0.158  -2.063
  152    HG3  MET  21          1HG       MET  21   2.790   0.427  -1.473
  153    HE1  MET  21          1HE       MET  21   2.133   2.761  -4.525
  154    HE2  MET  21          2HE       MET  21   2.502   2.675  -2.802
  155    HE3  MET  21          3HE       MET  21   0.934   2.130  -3.396
  156    H    LYS  22           H        LYS  22   6.001  -0.167  -2.908
  157    HA   LYS  22           HA       LYS  22   7.115   0.615  -0.404
  158    HB2  LYS  22          2HB       LYS  22   8.241   2.336  -1.752
  159    HB3  LYS  22          1HB       LYS  22   8.327   0.771  -2.555
  160    HG2  LYS  22          2HG       LYS  22   6.335   1.461  -3.917
  161    HG3  LYS  22          1HG       LYS  22   6.496   3.063  -3.216
  162    HD2  LYS  22          2HD       LYS  22   8.734   3.250  -4.170
  163    HD3  LYS  22          1HD       LYS  22   8.572   1.634  -4.869
  164    HE2  LYS  22          2HE       LYS  22   6.541   2.430  -6.075
  165    HE3  LYS  22          1HE       LYS  22   6.888   4.050  -5.483
  166    HZ1  LYS  22          1HZ       LYS  22   9.019   3.954  -6.659
  167    HZ2  LYS  22          2HZ       LYS  22   7.712   3.758  -7.694
  168    HZ3  LYS  22          3HZ       LYS  22   8.613   2.423  -7.261
  169    H    LYS  23           H        LYS  23   6.794   2.719   0.617
  170    HA   LYS  23           HA       LYS  23   4.165   3.765   0.009
  171    HB2  LYS  23          2HB       LYS  23   4.313   4.953   2.216
  172    HB3  LYS  23          1HB       LYS  23   4.249   3.207   2.312
  173    HG2  LYS  23          2HG       LYS  23   6.665   3.161   2.727
  174    HG3  LYS  23          1HG       LYS  23   6.698   4.926   2.631
  175    HD2  LYS  23          2HD       LYS  23   5.175   5.089   4.509
  176    HD3  LYS  23          1HD       LYS  23   5.043   3.335   4.580
  177    HE2  LYS  23          2HE       LYS  23   7.431   3.186   5.099
  178    HE3  LYS  23          1HE       LYS  23   7.544   4.945   5.036
  179    HZ1  LYS  23          1HZ       LYS  23   7.319   4.060   7.303
  180    HZ2  LYS  23          2HZ       LYS  23   5.785   3.464   6.916
  181    HZ3  LYS  23          3HZ       LYS  23   6.082   5.114   6.903
  182    H    ARG  24           H        ARG  24   4.150   5.160  -1.443
  183    HA   ARG  24           HA       ARG  24   5.295   7.704  -1.061
  184    HB2  ARG  24          2HB       ARG  24   7.333   6.600  -1.884
  185    HB3  ARG  24          1HB       ARG  24   6.466   6.045  -3.306
  186    HG2  ARG  24          2HG       ARG  24   6.171   8.310  -4.071
  187    HG3  ARG  24          1HG       ARG  24   6.922   8.939  -2.605
  188    HD2  ARG  24          2HD       ARG  24   8.277   7.175  -4.641
  189    HD3  ARG  24          1HD       ARG  24   8.449   8.925  -4.526
  190    HE   ARG  24           HE       ARG  24   9.064   7.749  -2.053
  191   HH11  ARG  24          1HH1      ARG  24  10.396   8.085  -5.303
  192   HH12  ARG  24          2HH1      ARG  24  12.024   7.972  -4.831
  193   HH21  ARG  24          1HH2      ARG  24  11.321   7.637  -1.350
  194   HH22  ARG  24          2HH2      ARG  24  12.556   7.752  -2.491
  195    H    CYS  25           H        CYS  25   3.557   8.790  -1.586
  196    HA   CYS  25           HA       CYS  25   2.157   8.113  -4.057
  197    HB2  CYS  25          2HB       CYS  25   1.154   9.571  -1.603
  198    HB3  CYS  25          1HB       CYS  25   0.228   9.316  -3.076
  Start of MODEL    7
    1    H1   CYS   1          1HT       CYS   1  -5.465  -6.500   5.810
    2    H2   CYS   1          2HT       CYS   1  -5.983  -5.757   4.376
    3    H3   CYS   1          3HT       CYS   1  -6.453  -5.143   5.869
    4    HA   CYS   1           HA       CYS   1  -4.277  -4.516   6.419
    5    HB2  CYS   1          2HB       CYS   1  -3.482  -5.572   3.693
    6    HB3  CYS   1          1HB       CYS   1  -2.427  -4.856   4.882
    7    H    SER   2           H        SER   2  -4.570  -2.358   6.324
    8    HA   SER   2           HA       SER   2  -5.164  -1.231   3.693
    9    HB2  SER   2          2HB       SER   2  -7.105  -1.184   5.224
   10    HB3  SER   2          1HB       SER   2  -6.175  -0.232   6.378
   11    HG   SER   2           HG       SER   2  -7.650   0.820   4.830
   12    H    TYR   3           H        TYR   3  -4.476   1.010   3.530
   13    HA   TYR   3           HA       TYR   3  -2.157   1.641   5.177
   14    HB2  TYR   3          2HB       TYR   3  -1.303   0.506   3.159
   15    HB3  TYR   3          1HB       TYR   3  -2.238   1.594   2.146
   16    HD1  TYR   3          1HD       TYR   3   0.476   1.616   4.699
   17    HD2  TYR   3          2HD       TYR   3  -1.190   3.517   1.277
   18    HE1  TYR   3          1HE       TYR   3   2.375   3.144   4.632
   19    HE2  TYR   3          2HE       TYR   3   0.697   5.053   1.192
   20    HH   TYR   3           HH       TYR   3   2.452   5.974   2.767
   21    H    THR   4           H        THR   4  -1.647   3.930   5.049
   22    HA   THR   4           HA       THR   4  -3.791   5.533   3.887
   23    HB   THR   4           HB       THR   4  -2.386   6.178   6.492
   24    HG1  THR   4          1HG       THR   4  -4.581   4.584   5.866
   25   HG21  THR   4          1HG2      THR   4  -3.325   8.083   5.215
   26   HG22  THR   4          2HG2      THR   4  -4.190   7.810   6.722
   27   HG23  THR   4          3HG2      THR   4  -4.894   7.279   5.196
   28    H    CYS   5           H        CYS   5  -3.034   6.853   2.425
   29    HA   CYS   5           HA       CYS   5  -0.191   7.595   2.427
   30    HB2  CYS   5          2HB       CYS   5  -0.996   6.323   0.432
   31    HB3  CYS   5          1HB       CYS   5  -2.212   7.566   0.165
   32    HA   DPR   6           HA       DPR   6  -1.296  11.940   2.660
   33    HB2  DPR   6          1HB       DPR   6  -0.682  11.413   5.525
   34    HB3  DPR   6          2HB       DPR   6  -0.056  12.704   4.483
   35    HG2  DPR   6          1HG       DPR   6   1.477  10.651   5.150
   36    HG3  DPR   6          2HG       DPR   6   1.509  11.275   3.492
   37    HD2  DPR   6          1HD       DPR   6   0.166   8.834   4.583
   38    HD3  DPR   6          2HD       DPR   6   1.040   9.069   3.051
   39    HA   PRO   7           HA       PRO   7  -5.117  11.735   5.126
   40    HB2  PRO   7          2HB       PRO   7  -6.569  13.384   3.666
   41    HB3  PRO   7          1HB       PRO   7  -5.198  14.017   4.585
   42    HG2  PRO   7          2HG       PRO   7  -5.399  13.412   1.666
   43    HG3  PRO   7          1HG       PRO   7  -4.618  14.778   2.481
   44    HD2  PRO   7          2HD       PRO   7  -3.318  12.478   1.564
   45    HD3  PRO   7          1HD       PRO   7  -2.667  13.632   2.746
   46    H    GLN   8           H        GLN   8  -4.287  10.255   2.329
   47    HA   GLN   8           HA       GLN   8  -7.003   9.597   1.465
   48    HB2  GLN   8          2HB       GLN   8  -4.350   9.047   0.127
   49    HB3  GLN   8          1HB       GLN   8  -5.938   8.698  -0.536
   50    HG2  GLN   8          2HG       GLN   8  -4.843  11.435   0.070
   51    HG3  GLN   8          1HG       GLN   8  -4.966  10.698  -1.525
   52   HE21  GLN   8          1HE2      GLN   8  -6.136  13.146  -0.523
   53   HE22  GLN   8          2HE2      GLN   8  -7.837  12.986  -0.716
   54    H    THR   9           H        THR   9  -7.813   7.641   1.929
   55    HA   THR   9           HA       THR   9  -6.102   5.687   3.234
   56    HB   THR   9           HB       THR   9  -9.042   5.467   2.490
   57    HG1  THR   9          1HG       THR   9  -9.020   7.134   3.896
   58   HG21  THR   9          1HG2      THR   9  -7.913   3.335   3.047
   59   HG22  THR   9          2HG2      THR   9  -9.096   3.769   4.279
   60   HG23  THR   9          3HG2      THR   9  -7.377   4.027   4.577
   61    H    TYR  10           H        TYR  10  -5.396   3.874   2.403
   62    HA   TYR  10           HA       TYR  10  -5.900   3.472  -0.435
   63    HB2  TYR  10          2HB       TYR  10  -3.719   4.569   0.026
   64    HB3  TYR  10          1HB       TYR  10  -3.294   3.225   1.071
   65    HD1  TYR  10          1HD       TYR  10  -4.322   3.976  -2.361
   66    HD2  TYR  10          2HD       TYR  10  -2.109   1.468   0.184
   67    HE1  TYR  10          1HE       TYR  10  -3.362   2.838  -4.354
   68    HE2  TYR  10          2HE       TYR  10  -1.124   0.307  -1.749
   69    HH   TYR  10           HH       TYR  10  -1.286   1.503  -4.871
   70    H    THR  11           H        THR  11  -7.083   1.657  -0.430
   71    HA   THR  11           HA       THR  11  -6.617  -0.379   1.548
   72    HB   THR  11           HB       THR  11  -8.628  -1.404   0.278
   73    HG1  THR  11          1HG       THR  11  -8.767  -0.325  -1.549
   74   HG21  THR  11          1HG2      THR  11  -8.826  -0.283   2.462
   75   HG22  THR  11          2HG2      THR  11 -10.215   0.085   1.438
   76   HG23  THR  11          3HG2      THR  11  -8.933   1.279   1.651
   77    H    PHE  12           H        PHE  12  -5.658  -2.364   1.066
   78    HA   PHE  12           HA       PHE  12  -4.764  -2.600  -1.714
   79    HB2  PHE  12          2HB       PHE  12  -3.008  -2.134   0.314
   80    HB3  PHE  12          1HB       PHE  12  -3.156  -3.859   0.411
   81    HD1  PHE  12          1HD       PHE  12  -1.864  -5.249  -0.895
   82    HD2  PHE  12          2HD       PHE  12  -2.585  -1.269  -2.173
   83    HE1  PHE  12          1HE       PHE  12  -0.382  -5.598  -2.807
   84    HE2  PHE  12          2HE       PHE  12  -1.094  -1.603  -4.089
   85    HZ   PHE  12           HZ       PHE  12   0.015  -3.780  -4.413
   86    HA   PRO  13           HA       PRO  13  -6.910  -6.478  -1.484
   87    HB2  PRO  13          2HB       PRO  13  -6.086  -7.486  -3.870
   88    HB3  PRO  13          1HB       PRO  13  -7.316  -6.225  -3.724
   89    HG2  PRO  13          2HG       PRO  13  -4.402  -5.965  -4.346
   90    HG3  PRO  13          1HG       PRO  13  -5.778  -5.148  -5.110
   91    HD2  PRO  13          2HD       PRO  13  -4.218  -3.952  -3.251
   92    HD3  PRO  13          1HD       PRO  13  -5.954  -3.605  -3.403
   93    H    THR  14           H        THR  14  -3.450  -6.677  -2.599
   94    HA   THR  14           HA       THR  14  -3.307  -9.330  -1.493
   95    HB   THR  14           HB       THR  14  -1.045  -9.099  -2.840
   96    HG1  THR  14          1HG       THR  14  -0.946  -7.396  -4.113
   97   HG21  THR  14          1HG2      THR  14  -2.214  -9.885  -4.857
   98   HG22  THR  14          2HG2      THR  14  -3.746  -9.317  -4.190
   99   HG23  THR  14          3HG2      THR  14  -2.883 -10.643  -3.413
  100    H    CYS  15           H        CYS  15  -2.816  -9.166   0.631
  101    HA   CYS  15           HA       CYS  15  -1.390  -6.974   1.732
  102    HB2  CYS  15          2HB       CYS  15  -3.150  -8.213   2.964
  103    HB3  CYS  15          1HB       CYS  15  -2.074  -9.603   3.054
  104    H    GLU  16           H        GLU  16  -0.404 -10.142   0.643
  105    HA   GLU  16           HA       GLU  16   2.139 -10.051   1.935
  106    HB2  GLU  16          2HB       GLU  16   1.312 -11.626  -0.521
  107    HB3  GLU  16          1HB       GLU  16   2.762 -11.880   0.426
  108    HG2  GLU  16          2HG       GLU  16   1.467 -12.570   2.337
  109    HG3  GLU  16          1HG       GLU  16  -0.033 -12.212   1.481
  110    H    GLU  17           H        GLU  17   0.825  -9.082  -1.166
  111    HA   GLU  17           HA       GLU  17   3.351  -8.314  -2.277
  112    HB2  GLU  17          2HB       GLU  17   0.540  -7.657  -3.137
  113    HB3  GLU  17          1HB       GLU  17   1.988  -7.300  -4.063
  114    HG2  GLU  17          2HG       GLU  17   1.064 -10.060  -3.304
  115    HG3  GLU  17          1HG       GLU  17   0.789  -9.294  -4.865
  116    H    ALA  18           H        ALA  18   1.010  -6.871  -0.240
  117    HA   ALA  18           HA       ALA  18   1.343  -4.159  -0.718
  118    HB1  ALA  18          1HB       ALA  18   0.875  -5.461   1.959
  119    HB2  ALA  18          2HB       ALA  18  -0.373  -5.083   0.773
  120    HB3  ALA  18          3HB       ALA  18   0.536  -3.782   1.543
  121    H    LYS  19           H        LYS  19   3.501  -6.337   0.873
  122    HA   LYS  19           HA       LYS  19   5.083  -4.150   1.975
  123    HB2  LYS  19          2HB       LYS  19   5.446  -7.134   2.100
  124    HB3  LYS  19          1HB       LYS  19   6.528  -5.987   2.877
  125    HG2  LYS  19          2HG       LYS  19   4.673  -5.151   4.244
  126    HG3  LYS  19          1HG       LYS  19   3.586  -6.294   3.460
  127    HD2  LYS  19          2HD       LYS  19   6.031  -7.060   5.044
  128    HD3  LYS  19          1HD       LYS  19   4.393  -7.039   5.693
  129    HE2  LYS  19          2HE       LYS  19   5.344  -8.726   3.372
  130    HE3  LYS  19          1HE       LYS  19   5.119  -9.292   5.018
  131    HZ1  LYS  19          1HZ       LYS  19   3.225  -9.832   3.616
  132    HZ2  LYS  19          2HZ       LYS  19   2.902  -8.201   3.321
  133    HZ3  LYS  19          3HZ       LYS  19   2.779  -8.826   4.860
  134    H    LYS  20           H        LYS  20   4.801  -5.667  -0.863
  135    HA   LYS  20           HA       LYS  20   7.593  -5.447  -1.739
  136    HB2  LYS  20          2HB       LYS  20   6.472  -7.512  -2.256
  137    HB3  LYS  20          1HB       LYS  20   5.070  -6.657  -2.849
  138    HG2  LYS  20          2HG       LYS  20   6.426  -5.857  -4.759
  139    HG3  LYS  20          1HG       LYS  20   7.766  -6.855  -4.169
  140    HD2  LYS  20          2HD       LYS  20   6.467  -8.836  -4.346
  141    HD3  LYS  20          1HD       LYS  20   5.012  -7.923  -4.721
  142    HE2  LYS  20          2HE       LYS  20   6.091  -7.187  -6.825
  143    HE3  LYS  20          1HE       LYS  20   7.468  -8.220  -6.434
  144    HZ1  LYS  20          1HZ       LYS  20   4.688  -9.225  -6.652
  145    HZ2  LYS  20          2HZ       LYS  20   6.096 -10.143  -6.525
  146    HZ3  LYS  20          3HZ       LYS  20   5.793  -9.270  -7.929
  147    H    MET  21           H        MET  21   4.334  -4.321  -2.225
  148    HA   MET  21           HA       MET  21   4.914  -2.509  -4.341
  149    HB2  MET  21          2HB       MET  21   2.702  -3.582  -4.023
  150    HB3  MET  21          1HB       MET  21   2.507  -2.695  -2.523
  151    HG2  MET  21          2HG       MET  21   1.244  -1.623  -4.257
  152    HG3  MET  21          1HG       MET  21   2.591  -0.585  -3.791
  153    HE1  MET  21          1HE       MET  21   0.816  -0.319  -6.469
  154    HE2  MET  21          2HE       MET  21   2.075   0.103  -7.629
  155    HE3  MET  21          3HE       MET  21   2.092   0.805  -6.012
  156    H    LYS  22           H        LYS  22   6.475  -1.188  -3.640
  157    HA   LYS  22           HA       LYS  22   6.529   0.226  -1.233
  158    HB2  LYS  22          2HB       LYS  22   8.192   1.658  -2.357
  159    HB3  LYS  22          1HB       LYS  22   8.520  -0.059  -2.487
  160    HG2  LYS  22          2HG       LYS  22   7.382   0.107  -4.787
  161    HG3  LYS  22          1HG       LYS  22   7.577   1.851  -4.600
  162    HD2  LYS  22          2HD       LYS  22   9.479   1.056  -5.808
  163    HD3  LYS  22          1HD       LYS  22   9.996   1.424  -4.151
  164    HE2  LYS  22          2HE       LYS  22   9.797  -0.969  -3.568
  165    HE3  LYS  22          1HE       LYS  22   9.311  -1.311  -5.223
  166    HZ1  LYS  22          1HZ       LYS  22  11.590  -1.815  -4.884
  167    HZ2  LYS  22          2HZ       LYS  22  11.918  -0.285  -4.299
  168    HZ3  LYS  22          3HZ       LYS  22  11.517  -0.489  -5.925
  169    H    LYS  23           H        LYS  23   6.217   2.492  -0.890
  170    HA   LYS  23           HA       LYS  23   3.571   3.054  -1.866
  171    HB2  LYS  23          2HB       LYS  23   5.067   4.669   0.178
  172    HB3  LYS  23          1HB       LYS  23   3.330   4.528  -0.039
  173    HG2  LYS  23          2HG       LYS  23   5.221   2.452   1.046
  174    HG3  LYS  23          1HG       LYS  23   3.908   3.272   1.891
  175    HD2  LYS  23          2HD       LYS  23   2.264   2.106   0.592
  176    HD3  LYS  23          1HD       LYS  23   3.509   1.439  -0.470
  177    HE2  LYS  23          2HE       LYS  23   4.492   0.391   1.626
  178    HE3  LYS  23          1HE       LYS  23   2.969   0.802   2.403
  179    HZ1  LYS  23          1HZ       LYS  23   3.204  -0.822  -0.054
  180    HZ2  LYS  23          2HZ       LYS  23   1.785  -0.580   0.891
  181    HZ3  LYS  23          3HZ       LYS  23   3.068  -1.461   1.483
  182    H    ARG  24           H        ARG  24   2.910   5.161  -2.421
  183    HA   ARG  24           HA       ARG  24   4.959   6.857  -3.586
  184    HB2  ARG  24          2HB       ARG  24   4.182   5.375  -5.367
  185    HB3  ARG  24          1HB       ARG  24   2.519   5.829  -5.041
  186    HG2  ARG  24          2HG       ARG  24   3.031   8.121  -5.737
  187    HG3  ARG  24          1HG       ARG  24   4.686   7.634  -6.098
  188    HD2  ARG  24          2HD       ARG  24   3.322   7.647  -8.126
  189    HD3  ARG  24          1HD       ARG  24   3.850   6.010  -7.733
  190    HE   ARG  24           HE       ARG  24   1.381   6.431  -6.530
  191   HH11  ARG  24          1HH1      ARG  24   2.655   6.094  -9.799
  192   HH12  ARG  24          2HH1      ARG  24   1.223   5.478 -10.463
  193   HH21  ARG  24          1HH2      ARG  24  -0.553   5.590  -7.390
  194   HH22  ARG  24          2HH2      ARG  24  -0.714   5.218  -9.041
  195    H    CYS  25           H        CYS  25   4.557   8.240  -1.913
  196    HA   CYS  25           HA       CYS  25   2.000   9.643  -2.041
  197    HB2  CYS  25          2HB       CYS  25   3.740   9.155   0.408
  198    HB3  CYS  25          1HB       CYS  25   2.301  10.169   0.371
  Start of MODEL    8
    1    H1   CYS   1          1HT       CYS   1  -5.142  -6.592   5.688
    2    H2   CYS   1          2HT       CYS   1  -5.736  -5.825   4.304
    3    H3   CYS   1          3HT       CYS   1  -6.006  -5.139   5.814
    4    HA   CYS   1           HA       CYS   1  -3.715  -4.742   6.120
    5    HB2  CYS   1          2HB       CYS   1  -3.411  -5.909   3.329
    6    HB3  CYS   1          1HB       CYS   1  -2.130  -5.122   4.233
    7    H    SER   2           H        SER   2  -3.771  -2.669   6.163
    8    HA   SER   2           HA       SER   2  -5.136  -1.234   4.049
    9    HB2  SER   2          2HB       SER   2  -5.891  -1.039   6.424
   10    HB3  SER   2          1HB       SER   2  -4.329  -0.341   6.821
   11    HG   SER   2           HG       SER   2  -6.305   0.730   5.078
   12    H    TYR   3           H        TYR   3  -4.251   0.965   3.741
   13    HA   TYR   3           HA       TYR   3  -1.396   1.289   3.888
   14    HB2  TYR   3          2HB       TYR   3  -1.667   0.112   1.765
   15    HB3  TYR   3          1HB       TYR   3  -3.016   1.136   1.315
   16    HD1  TYR   3          1HD       TYR   3  -2.569   2.729  -0.298
   17    HD2  TYR   3          2HD       TYR   3   0.583   1.529   2.299
   18    HE1  TYR   3          1HE       TYR   3  -1.042   4.211  -1.482
   19    HE2  TYR   3          2HE       TYR   3   2.120   3.016   1.119
   20    HH   TYR   3           HH       TYR   3   1.093   5.386  -1.077
   21    H    THR   4           H        THR   4  -0.960   3.616   3.411
   22    HA   THR   4           HA       THR   4  -3.346   5.266   3.319
   23    HB   THR   4           HB       THR   4  -1.115   5.721   5.331
   24    HG1  THR   4          1HG       THR   4  -3.382   4.198   5.372
   25   HG21  THR   4          1HG2      THR   4  -3.824   7.047   4.997
   26   HG22  THR   4          2HG2      THR   4  -2.277   7.773   4.566
   27   HG23  THR   4          3HG2      THR   4  -2.645   7.417   6.253
   28    H    CYS   5           H        CYS   5  -3.125   6.697   1.793
   29    HA   CYS   5           HA       CYS   5  -0.423   7.430   0.950
   30    HB2  CYS   5          2HB       CYS   5  -1.853   6.139  -0.710
   31    HB3  CYS   5          1HB       CYS   5  -2.955   7.510  -0.709
   32    HA   DPR   6           HA       DPR   6  -1.494  11.768   1.469
   33    HB2  DPR   6          1HB       DPR   6   0.073  11.324   3.956
   34    HB3  DPR   6          2HB       DPR   6   0.292  12.585   2.729
   35    HG2  DPR   6          1HG       DPR   6   1.997  10.568   2.897
   36    HG3  DPR   6          2HG       DPR   6   1.452  11.135   1.306
   37    HD2  DPR   6          1HD       DPR   6   0.584   8.730   2.865
   38    HD3  DPR   6          2HD       DPR   6   0.917   8.904   1.128
   39    HA   PRO   7           HA       PRO   7  -4.227  11.584   5.113
   40    HB2  PRO   7          2HB       PRO   7  -6.196  13.058   4.170
   41    HB3  PRO   7          1HB       PRO   7  -4.621  13.810   4.470
   42    HG2  PRO   7          2HG       PRO   7  -5.819  12.897   1.877
   43    HG3  PRO   7          1HG       PRO   7  -4.931  14.389   2.223
   44    HD2  PRO   7          2HD       PRO   7  -3.821  12.107   1.092
   45    HD3  PRO   7          1HD       PRO   7  -2.908  13.381   1.923
   46    H    GLN   8           H        GLN   8  -4.377   9.932   2.289
   47    HA   GLN   8           HA       GLN   8  -7.185   9.159   2.462
   48    HB2  GLN   8          2HB       GLN   8  -5.135   8.665   0.316
   49    HB3  GLN   8          1HB       GLN   8  -6.819   8.182   0.224
   50    HG2  GLN   8          2HG       GLN   8  -5.786  11.001   0.422
   51    HG3  GLN   8          1HG       GLN   8  -6.395  10.211  -1.030
   52   HE21  GLN   8          1HE2      GLN   8  -8.596   8.883   0.326
   53   HE22  GLN   8          2HE2      GLN   8  -9.739  10.103   0.704
   54    H    THR   9           H        THR   9  -7.556   7.461   3.715
   55    HA   THR   9           HA       THR   9  -5.615   5.394   4.113
   56    HB   THR   9           HB       THR   9  -8.572   5.345   4.834
   57    HG1  THR   9          1HG       THR   9  -7.142   5.992   6.931
   58   HG21  THR   9          1HG2      THR   9  -6.143   4.059   6.109
   59   HG22  THR   9          2HG2      THR   9  -7.280   3.230   5.054
   60   HG23  THR   9          3HG2      THR   9  -7.819   3.845   6.619
   61    H    TYR  10           H        TYR  10  -5.560   3.438   3.113
   62    HA   TYR  10           HA       TYR  10  -7.340   3.132   0.805
   63    HB2  TYR  10          2HB       TYR  10  -5.099   4.200   0.363
   64    HB3  TYR  10          1HB       TYR  10  -4.362   2.709   0.912
   65    HD1  TYR  10          1HD       TYR  10  -6.488   4.225  -1.635
   66    HD2  TYR  10          2HD       TYR  10  -4.145   0.857  -0.585
   67    HE1  TYR  10          1HE       TYR  10  -6.594   3.457  -3.952
   68    HE2  TYR  10          2HE       TYR  10  -4.235   0.047  -2.905
   69    HH   TYR  10           HH       TYR  10  -5.661   0.334  -4.927
   70    H    THR  11           H        THR  11  -7.790   0.978   0.353
   71    HA   THR  11           HA       THR  11  -6.777  -0.988   2.278
   72    HB   THR  11           HB       THR  11  -9.124  -1.236   0.382
   73    HG1  THR  11          1HG       THR  11  -9.928   0.199   1.773
   74   HG21  THR  11          1HG2      THR  11  -8.188  -3.371   1.168
   75   HG22  THR  11          2HG2      THR  11  -9.784  -3.102   1.869
   76   HG23  THR  11          3HG2      THR  11  -8.338  -2.827   2.838
   77    H    PHE  12           H        PHE  12  -5.158  -2.132   1.519
   78    HA   PHE  12           HA       PHE  12  -4.667  -2.007  -1.313
   79    HB2  PHE  12          2HB       PHE  12  -2.926  -1.806   0.684
   80    HB3  PHE  12          1HB       PHE  12  -2.936  -3.568   0.530
   81    HD1  PHE  12          1HD       PHE  12  -2.117  -4.641  -1.466
   82    HD2  PHE  12          2HD       PHE  12  -1.984  -0.441  -0.996
   83    HE1  PHE  12          1HE       PHE  12  -0.553  -4.498  -3.364
   84    HE2  PHE  12          2HE       PHE  12  -0.402  -0.260  -2.888
   85    HZ   PHE  12           HZ       PHE  12   0.317  -2.302  -4.077
   86    HA   PRO  13           HA       PRO  13  -6.985  -5.734  -1.885
   87    HB2  PRO  13          2HB       PRO  13  -6.019  -6.314  -4.410
   88    HB3  PRO  13          1HB       PRO  13  -7.334  -5.186  -4.072
   89    HG2  PRO  13          2HG       PRO  13  -4.450  -4.629  -4.607
   90    HG3  PRO  13          1HG       PRO  13  -5.890  -3.735  -5.129
   91    HD2  PRO  13          2HD       PRO  13  -4.333  -2.902  -3.089
   92    HD3  PRO  13          1HD       PRO  13  -6.092  -2.631  -3.109
   93    H    THR  14           H        THR  14  -3.588  -5.838  -2.993
   94    HA   THR  14           HA       THR  14  -3.493  -8.604  -2.181
   95    HB   THR  14           HB       THR  14  -1.235  -8.352  -3.462
   96    HG1  THR  14          1HG       THR  14  -1.309  -6.694  -5.006
   97   HG21  THR  14          1HG2      THR  14  -3.169  -9.680  -4.232
   98   HG22  THR  14          2HG2      THR  14  -2.387  -8.837  -5.567
   99   HG23  THR  14          3HG2      THR  14  -3.895  -8.215  -4.897
  100    H    CYS  15           H        CYS  15  -3.028  -8.642  -0.023
  101    HA   CYS  15           HA       CYS  15  -1.442  -6.715   1.274
  102    HB2  CYS  15          2HB       CYS  15  -3.097  -8.050   2.475
  103    HB3  CYS  15          1HB       CYS  15  -2.147  -9.505   2.181
  104    H    GLU  16           H        GLU  16  -0.605  -9.689  -0.357
  105    HA   GLU  16           HA       GLU  16   1.968  -9.889   0.803
  106    HB2  GLU  16          2HB       GLU  16   0.982 -11.011  -1.816
  107    HB3  GLU  16          1HB       GLU  16   2.473 -11.461  -1.010
  108    HG2  GLU  16          2HG       GLU  16  -0.333 -11.954  -0.035
  109    HG3  GLU  16          1HG       GLU  16   0.847 -13.151  -0.572
  110    H    GLU  17           H        GLU  17   0.658  -8.177  -1.924
  111    HA   GLU  17           HA       GLU  17   3.270  -7.342  -2.793
  112    HB2  GLU  17          2HB       GLU  17   0.555  -6.362  -3.678
  113    HB3  GLU  17          1HB       GLU  17   2.086  -5.942  -4.431
  114    HG2  GLU  17          2HG       GLU  17   2.409  -8.362  -4.930
  115    HG3  GLU  17          1HG       GLU  17   0.771  -8.644  -4.343
  116    H    ALA  18           H        ALA  18   0.771  -6.214  -0.701
  117    HA   ALA  18           HA       ALA  18   1.524  -3.506  -0.467
  118    HB1  ALA  18          1HB       ALA  18   0.337  -3.533   1.676
  119    HB2  ALA  18          2HB       ALA  18   0.336  -5.296   1.660
  120    HB3  ALA  18          3HB       ALA  18  -0.582  -4.404   0.448
  121    H    LYS  19           H        LYS  19   2.797  -6.410   0.864
  122    HA   LYS  19           HA       LYS  19   4.567  -5.125   2.724
  123    HB2  LYS  19          2HB       LYS  19   4.427  -7.952   1.715
  124    HB3  LYS  19          1HB       LYS  19   5.550  -7.418   2.957
  125    HG2  LYS  19          2HG       LYS  19   3.673  -6.788   4.389
  126    HG3  LYS  19          1HG       LYS  19   2.542  -7.321   3.146
  127    HD2  LYS  19          2HD       LYS  19   4.587  -9.092   4.479
  128    HD3  LYS  19          1HD       LYS  19   2.897  -8.980   4.971
  129    HE2  LYS  19          2HE       LYS  19   2.184  -9.770   2.810
  130    HE3  LYS  19          1HE       LYS  19   3.848  -9.814   2.228
  131    HZ1  LYS  19          1HZ       LYS  19   3.031 -11.978   2.851
  132    HZ2  LYS  19          2HZ       LYS  19   2.739 -11.460   4.435
  133    HZ3  LYS  19          3HZ       LYS  19   4.331 -11.523   3.834
  134    H    LYS  20           H        LYS  20   4.571  -5.378  -0.524
  135    HA   LYS  20           HA       LYS  20   7.501  -5.441  -0.785
  136    HB2  LYS  20          2HB       LYS  20   6.294  -7.114  -2.095
  137    HB3  LYS  20          1HB       LYS  20   5.287  -5.862  -2.794
  138    HG2  LYS  20          2HG       LYS  20   7.288  -4.913  -3.878
  139    HG3  LYS  20          1HG       LYS  20   8.237  -6.258  -3.236
  140    HD2  LYS  20          2HD       LYS  20   6.783  -7.835  -4.402
  141    HD3  LYS  20          1HD       LYS  20   5.844  -6.494  -5.054
  142    HE2  LYS  20          2HE       LYS  20   7.870  -5.663  -6.177
  143    HE3  LYS  20          1HE       LYS  20   8.758  -7.060  -5.568
  144    HZ1  LYS  20          1HZ       LYS  20   6.397  -7.184  -7.364
  145    HZ2  LYS  20          2HZ       LYS  20   7.308  -8.510  -6.834
  146    HZ3  LYS  20          3HZ       LYS  20   7.999  -7.367  -7.844
  147    H    MET  21           H        MET  21   4.556  -3.798  -1.844
  148    HA   MET  21           HA       MET  21   5.773  -1.655  -3.165
  149    HB2  MET  21          2HB       MET  21   3.494  -2.445  -3.657
  150    HB3  MET  21          1HB       MET  21   2.991  -2.004  -2.039
  151    HG2  MET  21          2HG       MET  21   2.224  -0.358  -3.627
  152    HG3  MET  21          1HG       MET  21   3.409   0.361  -2.547
  153    HE1  MET  21          1HE       MET  21   4.225  -0.805  -6.950
  154    HE2  MET  21          2HE       MET  21   2.670  -0.997  -6.147
  155    HE3  MET  21          3HE       MET  21   4.037  -2.010  -5.681
  156    H    LYS  22           H        LYS  22   6.447   0.083  -2.401
  157    HA   LYS  22           HA       LYS  22   6.386   0.676   0.454
  158    HB2  LYS  22          2HB       LYS  22   7.957   2.552  -0.154
  159    HB3  LYS  22          1HB       LYS  22   8.543   0.957  -0.572
  160    HG2  LYS  22          2HG       LYS  22   7.867   1.368  -2.910
  161    HG3  LYS  22          1HG       LYS  22   7.367   2.995  -2.448
  162    HD2  LYS  22          2HD       LYS  22   9.601   3.580  -1.819
  163    HD3  LYS  22          1HD       LYS  22  10.152   1.920  -2.016
  164    HE2  LYS  22          2HE       LYS  22   9.151   3.734  -4.214
  165    HE3  LYS  22          1HE       LYS  22  10.833   3.340  -3.892
  166    HZ1  LYS  22          1HZ       LYS  22   9.995   1.991  -5.683
  167    HZ2  LYS  22          2HZ       LYS  22   8.734   1.402  -4.747
  168    HZ3  LYS  22          3HZ       LYS  22  10.327   1.004  -4.364
  169    H    LYS  23           H        LYS  23   6.377   3.452   0.555
  170    HA   LYS  23           HA       LYS  23   3.624   3.962  -0.012
  171    HB2  LYS  23          2HB       LYS  23   5.719   5.787   1.190
  172    HB3  LYS  23          1HB       LYS  23   4.007   6.164   1.066
  173    HG2  LYS  23          2HG       LYS  23   3.512   4.208   2.497
  174    HG3  LYS  23          1HG       LYS  23   5.243   3.944   2.684
  175    HD2  LYS  23          2HD       LYS  23   5.453   6.188   3.681
  176    HD3  LYS  23          1HD       LYS  23   3.707   6.402   3.513
  177    HE2  LYS  23          2HE       LYS  23   3.367   4.412   4.952
  178    HE3  LYS  23          1HE       LYS  23   5.110   4.310   5.168
  179    HZ1  LYS  23          1HZ       LYS  23   5.081   6.474   6.233
  180    HZ2  LYS  23          2HZ       LYS  23   4.043   5.411   7.013
  181    HZ3  LYS  23          3HZ       LYS  23   3.404   6.598   6.004
  182    H    ARG  24           H        ARG  24   3.508   3.850  -2.122
  183    HA   ARG  24           HA       ARG  24   5.037   5.672  -3.763
  184    HB2  ARG  24          2HB       ARG  24   4.794   3.351  -4.516
  185    HB3  ARG  24          1HB       ARG  24   3.051   3.514  -4.505
  186    HG2  ARG  24          2HG       ARG  24   3.167   5.115  -6.334
  187    HG3  ARG  24          1HG       ARG  24   4.930   5.029  -6.316
  188    HD2  ARG  24          2HD       ARG  24   4.855   2.674  -6.889
  189    HD3  ARG  24          1HD       ARG  24   3.098   2.684  -6.810
  190    HE   ARG  24           HE       ARG  24   3.547   4.535  -8.651
  191   HH11  ARG  24          1HH1      ARG  24   5.008   1.313  -8.334
  192   HH12  ARG  24          2HH1      ARG  24   5.080   1.021  -9.999
  193   HH21  ARG  24          1HH2      ARG  24   3.641   4.113 -10.972
  194   HH22  ARG  24          2HH2      ARG  24   4.287   2.647 -11.526
  195    H    CYS  25           H        CYS  25   4.239   7.555  -3.077
  196    HA   CYS  25           HA       CYS  25   1.617   8.250  -4.145
  197    HB2  CYS  25          2HB       CYS  25   2.780   9.143  -1.495
  198    HB3  CYS  25          1HB       CYS  25   1.314   9.792  -2.219
  Start of MODEL    9
    1    H1   CYS   1          1HT       CYS   1  -3.969  -5.369   5.101
    2    H2   CYS   1          2HT       CYS   1  -3.321  -4.664   6.474
    3    H3   CYS   1          3HT       CYS   1  -2.558  -5.999   5.767
    4    HA   CYS   1           HA       CYS   1  -1.404  -3.960   5.293
    5    HB2  CYS   1          2HB       CYS   1  -2.751  -5.295   2.949
    6    HB3  CYS   1          1HB       CYS   1  -1.363  -4.223   2.817
    7    H    SER   2           H        SER   2  -2.143  -1.991   5.943
    8    HA   SER   2           HA       SER   2  -3.987  -0.642   4.128
    9    HB2  SER   2          2HB       SER   2  -5.011  -0.977   6.323
   10    HB3  SER   2          1HB       SER   2  -3.618  -0.246   7.126
   11    HG   SER   2           HG       SER   2  -5.806   0.879   6.002
   12    H    TYR   3           H        TYR   3  -3.514   1.619   3.942
   13    HA   TYR   3           HA       TYR   3  -0.905   2.563   4.740
   14    HB2  TYR   3          2HB       TYR   3  -0.449   1.423   2.601
   15    HB3  TYR   3          1HB       TYR   3  -1.769   2.287   1.834
   16    HD1  TYR   3          1HD       TYR   3   1.467   2.875   3.583
   17    HD2  TYR   3          2HD       TYR   3  -1.308   4.256   0.676
   18    HE1  TYR   3          1HE       TYR   3   3.026   4.634   2.948
   19    HE2  TYR   3          2HE       TYR   3   0.211   6.009   0.022
   20    HH   TYR   3           HH       TYR   3   2.226   7.290   1.262
   21    H    THR   4           H        THR   4  -0.793   4.954   4.227
   22    HA   THR   4           HA       THR   4  -3.464   6.083   3.909
   23    HB   THR   4           HB       THR   4  -1.367   7.169   5.809
   24    HG1  THR   4          1HG       THR   4  -3.629   6.059   6.912
   25   HG21  THR   4          1HG2      THR   4  -3.044   8.783   5.014
   26   HG22  THR   4          2HG2      THR   4  -3.283   8.425   6.723
   27   HG23  THR   4          3HG2      THR   4  -4.336   7.694   5.514
   28    H    CYS   5           H        CYS   5  -3.480   7.297   2.163
   29    HA   CYS   5           HA       CYS   5  -1.007   8.602   1.321
   30    HB2  CYS   5          2HB       CYS   5  -1.930   6.955  -0.294
   31    HB3  CYS   5          1HB       CYS   5  -3.465   7.798  -0.280
   32    HA   DPR   6           HA       DPR   6  -2.860  12.667   1.718
   33    HB2  DPR   6          1HB       DPR   6  -1.684  12.364   4.444
   34    HB3  DPR   6          2HB       DPR   6  -1.512  13.719   3.315
   35    HG2  DPR   6          1HG       DPR   6   0.488  12.043   3.670
   36    HG3  DPR   6          2HG       DPR   6   0.070  12.576   2.030
   37    HD2  DPR   6          1HD       DPR   6  -0.526   9.980   3.393
   38    HD3  DPR   6          2HD       DPR   6  -0.023  10.302   1.719
   39    HA   PRO   7           HA       PRO   7  -6.122  12.183   4.852
   40    HB2  PRO   7          2HB       PRO   7  -8.117  13.245   3.441
   41    HB3  PRO   7          1HB       PRO   7  -6.813  14.261   4.061
   42    HG2  PRO   7          2HG       PRO   7  -7.269  13.243   1.295
   43    HG3  PRO   7          1HG       PRO   7  -6.653  14.816   1.822
   44    HD2  PRO   7          2HD       PRO   7  -5.089  12.677   0.946
   45    HD3  PRO   7          1HD       PRO   7  -4.506  14.063   1.887
   46    H    GLN   8           H        GLN   8  -5.492  10.283   2.310
   47    HA   GLN   8           HA       GLN   8  -8.124   8.977   2.268
   48    HB2  GLN   8          2HB       GLN   8  -5.970   9.041   0.163
   49    HB3  GLN   8          1HB       GLN   8  -7.468   8.137   0.031
   50    HG2  GLN   8          2HG       GLN   8  -8.741  10.223   0.113
   51    HG3  GLN   8          1HG       GLN   8  -7.247  11.131   0.293
   52   HE21  GLN   8          1HE2      GLN   8  -5.804   9.482  -1.621
   53   HE22  GLN   8          2HE2      GLN   8  -6.380   9.908  -3.181
   54    H    THR   9           H        THR   9  -8.145   7.135   3.360
   55    HA   THR   9           HA       THR   9  -5.732   5.664   3.914
   56    HB   THR   9           HB       THR   9  -8.616   4.815   4.416
   57    HG1  THR   9          1HG       THR   9  -8.051   6.802   5.493
   58   HG21  THR   9          1HG2      THR   9  -6.002   3.926   5.656
   59   HG22  THR   9          2HG2      THR   9  -6.980   2.986   4.530
   60   HG23  THR   9          3HG2      THR   9  -7.603   3.366   6.136
   61    H    TYR  10           H        TYR  10  -4.882   4.206   2.765
   62    HA   TYR  10           HA       TYR  10  -6.260   3.417   0.326
   63    HB2  TYR  10          2HB       TYR  10  -4.176   4.822   0.199
   64    HB3  TYR  10          1HB       TYR  10  -3.309   3.497   0.945
   65    HD1  TYR  10          1HD       TYR  10  -5.383   4.367  -1.937
   66    HD2  TYR  10          2HD       TYR  10  -2.396   1.817  -0.394
   67    HE1  TYR  10          1HE       TYR  10  -5.005   3.474  -4.206
   68    HE2  TYR  10          2HE       TYR  10  -1.987   0.892  -2.650
   69    HH   TYR  10           HH       TYR  10  -3.208   2.397  -5.439
   70    H    THR  11           H        THR  11  -7.078   1.451   0.640
   71    HA   THR  11           HA       THR  11  -5.540  -0.457   2.200
   72    HB   THR  11           HB       THR  11  -8.382  -0.643   1.137
   73    HG1  THR  11          1HG       THR  11  -8.974   0.187   2.977
   74   HG21  THR  11          1HG2      THR  11  -6.888  -2.422   3.082
   75   HG22  THR  11          2HG2      THR  11  -7.326  -2.856   1.431
   76   HG23  THR  11          3HG2      THR  11  -8.586  -2.590   2.637
   77    H    PHE  12           H        PHE  12  -4.476  -2.053   1.233
   78    HA   PHE  12           HA       PHE  12  -4.353  -1.954  -1.668
   79    HB2  PHE  12          2HB       PHE  12  -2.393  -1.993   0.121
   80    HB3  PHE  12          1HB       PHE  12  -2.653  -3.726   0.048
   81    HD1  PHE  12          1HD       PHE  12  -2.359  -4.880  -2.215
   82    HD2  PHE  12          2HD       PHE  12  -1.134  -0.878  -1.477
   83    HE1  PHE  12          1HE       PHE  12  -0.854  -4.986  -4.147
   84    HE2  PHE  12          2HE       PHE  12   0.375  -0.980  -3.412
   85    HZ   PHE  12           HZ       PHE  12   0.519  -3.040  -4.752
   86    HA   PRO  13           HA       PRO  13  -7.028  -5.550  -1.967
   87    HB2  PRO  13          2HB       PRO  13  -6.174  -6.392  -4.464
   88    HB3  PRO  13          1HB       PRO  13  -7.401  -5.154  -4.183
   89    HG2  PRO  13          2HG       PRO  13  -4.507  -4.844  -4.831
   90    HG3  PRO  13          1HG       PRO  13  -5.891  -3.874  -5.373
   91    HD2  PRO  13          2HD       PRO  13  -4.190  -3.044  -3.460
   92    HD3  PRO  13          1HD       PRO  13  -5.916  -2.629  -3.438
   93    H    THR  14           H        THR  14  -3.710  -6.115  -3.245
   94    HA   THR  14           HA       THR  14  -3.773  -8.790  -2.202
   95    HB   THR  14           HB       THR  14  -1.399  -8.560  -3.345
   96    HG1  THR  14          1HG       THR  14  -1.290  -6.923  -4.766
   97   HG21  THR  14          1HG2      THR  14  -4.001  -8.719  -4.870
   98   HG22  THR  14          2HG2      THR  14  -3.150 -10.072  -4.110
   99   HG23  THR  14          3HG2      THR  14  -2.432  -9.234  -5.481
  100    H    CYS  15           H        CYS  15  -3.344  -8.792  -0.059
  101    HA   CYS  15           HA       CYS  15  -1.800  -6.797   1.228
  102    HB2  CYS  15          2HB       CYS  15  -3.634  -8.136   2.309
  103    HB3  CYS  15          1HB       CYS  15  -2.563  -9.520   2.289
  104    H    GLU  16           H        GLU  16  -1.054 -10.040   0.026
  105    HA   GLU  16           HA       GLU  16   1.516 -10.073   1.248
  106    HB2  GLU  16          2HB       GLU  16   0.416 -11.725  -1.022
  107    HB3  GLU  16          1HB       GLU  16   1.994 -11.983  -0.294
  108    HG2  GLU  16          2HG       GLU  16  -0.663 -12.190   1.104
  109    HG3  GLU  16          1HG       GLU  16   0.362 -13.535   0.603
  110    H    GLU  17           H        GLU  17   0.290  -8.827  -1.740
  111    HA   GLU  17           HA       GLU  17   2.916  -8.368  -2.804
  112    HB2  GLU  17          2HB       GLU  17   0.231  -7.337  -3.693
  113    HB3  GLU  17          1HB       GLU  17   1.741  -6.956  -4.500
  114    HG2  GLU  17          2HG       GLU  17   0.557  -9.693  -4.161
  115    HG3  GLU  17          1HG       GLU  17   0.612  -8.751  -5.652
  116    H    ALA  18           H        ALA  18   0.554  -6.570  -0.988
  117    HA   ALA  18           HA       ALA  18   1.576  -3.987  -1.189
  118    HB1  ALA  18          1HB       ALA  18  -0.565  -4.527  -0.147
  119    HB2  ALA  18          2HB       ALA  18   0.443  -3.546   0.920
  120    HB3  ALA  18          3HB       ALA  18   0.281  -5.280   1.203
  121    H    LYS  19           H        LYS  19   2.613  -6.682   0.670
  122    HA   LYS  19           HA       LYS  19   4.365  -5.291   2.429
  123    HB2  LYS  19          2HB       LYS  19   4.232  -8.203   1.645
  124    HB3  LYS  19          1HB       LYS  19   5.193  -7.558   2.971
  125    HG2  LYS  19          2HG       LYS  19   3.225  -6.870   4.148
  126    HG3  LYS  19          1HG       LYS  19   2.204  -7.292   2.777
  127    HD2  LYS  19          2HD       LYS  19   2.808  -9.647   3.053
  128    HD3  LYS  19          1HD       LYS  19   3.847  -9.222   4.414
  129    HE2  LYS  19          2HE       LYS  19   1.930  -8.400   5.659
  130    HE3  LYS  19          1HE       LYS  19   0.875  -8.719   4.285
  131    HZ1  LYS  19          1HZ       LYS  19   0.793 -10.425   6.029
  132    HZ2  LYS  19          2HZ       LYS  19   2.404 -10.820   5.727
  133    HZ3  LYS  19          3HZ       LYS  19   1.232 -11.040   4.521
  134    H    LYS  20           H        LYS  20   4.637  -6.577  -0.765
  135    HA   LYS  20           HA       LYS  20   7.558  -6.432  -0.753
  136    HB2  LYS  20          2HB       LYS  20   6.589  -8.420  -1.722
  137    HB3  LYS  20          1HB       LYS  20   5.554  -7.464  -2.764
  138    HG2  LYS  20          2HG       LYS  20   7.469  -6.740  -4.055
  139    HG3  LYS  20          1HG       LYS  20   8.564  -7.584  -2.955
  140    HD2  LYS  20          2HD       LYS  20   7.578  -9.717  -3.558
  141    HD3  LYS  20          1HD       LYS  20   6.388  -8.907  -4.572
  142    HE2  LYS  20          2HE       LYS  20   9.368  -8.817  -5.017
  143    HE3  LYS  20          1HE       LYS  20   8.276  -9.930  -5.835
  144    HZ1  LYS  20          1HZ       LYS  20   7.107  -7.990  -6.740
  145    HZ2  LYS  20          2HZ       LYS  20   8.699  -8.086  -7.231
  146    HZ3  LYS  20          3HZ       LYS  20   8.274  -6.961  -6.058
  147    H    MET  21           H        MET  21   4.741  -5.024  -2.265
  148    HA   MET  21           HA       MET  21   6.126  -3.279  -3.991
  149    HB2  MET  21          2HB       MET  21   3.859  -4.013  -4.490
  150    HB3  MET  21          1HB       MET  21   3.275  -3.308  -2.996
  151    HG2  MET  21          2HG       MET  21   2.686  -1.923  -4.903
  152    HG3  MET  21          1HG       MET  21   3.785  -1.077  -3.819
  153    HE1  MET  21          1HE       MET  21   5.046  -2.889  -7.884
  154    HE2  MET  21          2HE       MET  21   3.406  -2.972  -7.240
  155    HE3  MET  21          3HE       MET  21   4.706  -3.884  -6.472
  156    H    LYS  22           H        LYS  22   7.186  -1.642  -3.359
  157    HA   LYS  22           HA       LYS  22   7.014  -0.480  -0.783
  158    HB2  LYS  22          2HB       LYS  22   8.529   1.300  -1.678
  159    HB3  LYS  22          1HB       LYS  22   9.118  -0.328  -1.966
  160    HG2  LYS  22          2HG       LYS  22   8.306  -0.197  -4.272
  161    HG3  LYS  22          1HG       LYS  22   7.737   1.434  -3.962
  162    HD2  LYS  22          2HD       LYS  22  10.060   2.118  -3.463
  163    HD3  LYS  22          1HD       LYS  22  10.593   0.485  -3.856
  164    HE2  LYS  22          2HE       LYS  22  10.895   2.015  -5.746
  165    HE3  LYS  22          1HE       LYS  22   9.761   0.719  -6.121
  166    HZ1  LYS  22          1HZ       LYS  22   8.996   3.473  -5.315
  167    HZ2  LYS  22          2HZ       LYS  22   7.941   2.234  -5.797
  168    HZ3  LYS  22          3HZ       LYS  22   9.024   2.895  -6.892
  169    H    LYS  23           H        LYS  23   6.053   1.338  -0.078
  170    HA   LYS  23           HA       LYS  23   3.608   2.014  -1.550
  171    HB2  LYS  23          2HB       LYS  23   4.293   2.742   1.283
  172    HB3  LYS  23          1HB       LYS  23   2.707   2.518   0.566
  173    HG2  LYS  23          2HG       LYS  23   3.019   0.123   0.488
  174    HG3  LYS  23          1HG       LYS  23   4.686   0.284   1.038
  175    HD2  LYS  23          2HD       LYS  23   3.699   1.434   3.100
  176    HD3  LYS  23          1HD       LYS  23   2.148   0.790   2.567
  177    HE2  LYS  23          2HE       LYS  23   4.622  -0.819   3.200
  178    HE3  LYS  23          1HE       LYS  23   3.214  -0.658   4.236
  179    HZ1  LYS  23          1HZ       LYS  23   3.282  -1.983   1.562
  180    HZ2  LYS  23          2HZ       LYS  23   1.900  -1.787   2.529
  181    HZ3  LYS  23          3HZ       LYS  23   3.182  -2.715   3.062
  182    H    ARG  24           H        ARG  24   3.217   4.169  -2.214
  183    HA   ARG  24           HA       ARG  24   4.850   6.302  -1.128
  184    HB2  ARG  24          2HB       ARG  24   6.212   5.411  -2.996
  185    HB3  ARG  24          1HB       ARG  24   4.880   5.723  -4.098
  186    HG2  ARG  24          2HG       ARG  24   5.065   8.103  -3.673
  187    HG3  ARG  24          1HG       ARG  24   6.360   7.818  -2.513
  188    HD2  ARG  24          2HD       ARG  24   7.698   6.811  -4.337
  189    HD3  ARG  24          1HD       ARG  24   6.409   7.231  -5.466
  190    HE   ARG  24           HE       ARG  24   7.149   9.508  -4.047
  191   HH11  ARG  24          1HH1      ARG  24   8.487   7.395  -6.543
  192   HH12  ARG  24          2HH1      ARG  24   9.472   8.592  -7.250
  193   HH21  ARG  24          1HH2      ARG  24   8.515  11.174  -5.011
  194   HH22  ARG  24          2HH2      ARG  24   9.472  10.784  -6.355
  195    H    CYS  25           H        CYS  25   3.944   8.339  -1.398
  196    HA   CYS  25           HA       CYS  25   1.528   8.643  -2.945
  197    HB2  CYS  25          2HB       CYS  25   0.704   7.894  -0.754
  198    HB3  CYS  25          1HB       CYS  25   1.675   9.117   0.050
  Start of MODEL   10
    1    H1   CYS   1          1HT       CYS   1  -5.691  -5.301   3.161
    2    H2   CYS   1          2HT       CYS   1  -6.448  -4.683   4.546
    3    H3   CYS   1          3HT       CYS   1  -5.587  -6.140   4.635
    4    HA   CYS   1           HA       CYS   1  -4.494  -4.290   5.600
    5    HB2  CYS   1          2HB       CYS   1  -3.173  -5.508   3.171
    6    HB3  CYS   1          1HB       CYS   1  -2.311  -4.645   4.433
    7    H    SER   2           H        SER   2  -4.399  -2.218   5.653
    8    HA   SER   2           HA       SER   2  -4.888  -0.748   3.174
    9    HB2  SER   2          2HB       SER   2  -5.458   0.102   6.010
   10    HB3  SER   2          1HB       SER   2  -6.000   0.890   4.526
   11    HG   SER   2           HG       SER   2  -6.633  -1.804   4.970
   12    H    TYR   3           H        TYR   3  -4.087   1.562   3.396
   13    HA   TYR   3           HA       TYR   3  -1.642   1.938   4.880
   14    HB2  TYR   3          2HB       TYR   3  -0.829   0.998   2.751
   15    HB3  TYR   3          1HB       TYR   3  -1.893   2.064   1.851
   16    HD1  TYR   3          1HD       TYR   3   1.087   2.071   4.094
   17    HD2  TYR   3          2HD       TYR   3  -1.116   4.157   1.107
   18    HE1  TYR   3          1HE       TYR   3   2.881   3.728   3.927
   19    HE2  TYR   3          2HE       TYR   3   0.663   5.808   0.925
   20    HH   TYR   3           HH       TYR   3   2.501   6.684   2.538
   21    H    THR   4           H        THR   4  -1.179   4.360   4.790
   22    HA   THR   4           HA       THR   4  -3.507   5.830   3.856
   23    HB   THR   4           HB       THR   4  -2.222   6.297   6.568
   24    HG1  THR   4          1HG       THR   4  -3.532   4.352   6.267
   25   HG21  THR   4          1HG2      THR   4  -4.704   7.450   5.276
   26   HG22  THR   4          2HG2      THR   4  -3.195   8.321   5.557
   27   HG23  THR   4          3HG2      THR   4  -4.164   7.765   6.923
   28    H    CYS   5           H        CYS   5  -2.996   7.441   2.626
   29    HA   CYS   5           HA       CYS   5  -0.252   8.468   2.612
   30    HB2  CYS   5          2HB       CYS   5  -0.977   7.479   0.473
   31    HB3  CYS   5          1HB       CYS   5  -2.421   8.476   0.478
   32    HA   DPR   6           HA       DPR   6  -1.701  12.596   3.722
   33    HB2  DPR   6          1HB       DPR   6  -0.998  11.517   6.418
   34    HB3  DPR   6          2HB       DPR   6  -0.519  13.059   5.688
   35    HG2  DPR   6          1HG       DPR   6   1.229  11.095   5.863
   36    HG3  DPR   6          2HG       DPR   6   1.119  12.041   4.366
   37    HD2  DPR   6          1HD       DPR   6   0.063   9.301   4.961
   38    HD3  DPR   6          2HD       DPR   6   0.853   9.927   3.496
   39    HA   PRO   7           HA       PRO   7  -5.501  11.688   6.037
   40    HB2  PRO   7          2HB       PRO   7  -7.151  13.276   4.661
   41    HB3  PRO   7          1HB       PRO   7  -5.933  13.954   5.747
   42    HG2  PRO   7          2HG       PRO   7  -5.947  13.822   2.773
   43    HG3  PRO   7          1HG       PRO   7  -5.268  15.059   3.839
   44    HD2  PRO   7          2HD       PRO   7  -3.848  12.968   2.576
   45    HD3  PRO   7          1HD       PRO   7  -3.255  14.034   3.868
   46    H    GLN   8           H        GLN   8  -4.653  10.829   2.902
   47    HA   GLN   8           HA       GLN   8  -7.234   9.829   2.052
   48    HB2  GLN   8          2HB       GLN   8  -5.791  10.903   0.416
   49    HB3  GLN   8          1HB       GLN   8  -4.506   9.762   0.763
   50    HG2  GLN   8          2HG       GLN   8  -5.574   9.202  -1.336
   51    HG3  GLN   8          1HG       GLN   8  -5.891   7.947  -0.148
   52   HE21  GLN   8          1HE2      GLN   8  -7.972   7.523   0.455
   53   HE22  GLN   8          2HE2      GLN   8  -9.336   8.320  -0.219
   54    H    THR   9           H        THR   9  -7.883   7.954   2.900
   55    HA   THR   9           HA       THR   9  -6.086   5.909   3.746
   56    HB   THR   9           HB       THR   9  -9.063   5.764   3.138
   57    HG1  THR   9          1HG       THR   9  -7.851   6.139   5.670
   58   HG21  THR   9          1HG2      THR   9  -7.975   3.558   3.370
   59   HG22  THR   9          2HG2      THR   9  -9.050   3.876   4.732
   60   HG23  THR   9          3HG2      THR   9  -7.306   4.051   4.924
   61    H    TYR  10           H        TYR  10  -5.264   4.309   2.688
   62    HA   TYR  10           HA       TYR  10  -5.914   4.041  -0.144
   63    HB2  TYR  10          2HB       TYR  10  -3.766   5.246   0.432
   64    HB3  TYR  10          1HB       TYR  10  -3.232   3.773   1.221
   65    HD1  TYR  10          1HD       TYR  10  -4.221   5.226  -1.971
   66    HD2  TYR  10          2HD       TYR  10  -2.254   2.037  -0.035
   67    HE1  TYR  10          1HE       TYR  10  -3.304   4.475  -4.155
   68    HE2  TYR  10          2HE       TYR  10  -1.330   1.267  -2.173
   69    HH   TYR  10           HH       TYR  10  -1.909   1.444  -4.519
   70    H    THR  11           H        THR  11  -5.564   1.802  -0.873
   71    HA   THR  11           HA       THR  11  -5.380  -0.166   1.264
   72    HB   THR  11           HB       THR  11  -7.572  -0.136  -0.831
   73    HG1  THR  11          1HG       THR  11  -7.915   1.452   0.715
   74   HG21  THR  11          1HG2      THR  11  -6.935  -2.391  -0.092
   75   HG22  THR  11          2HG2      THR  11  -8.539  -1.966   0.509
   76   HG23  THR  11          3HG2      THR  11  -7.144  -1.896   1.588
   77    H    PHE  12           H        PHE  12  -4.561  -2.163   0.535
   78    HA   PHE  12           HA       PHE  12  -3.507  -2.059  -2.195
   79    HB2  PHE  12          2HB       PHE  12  -1.936  -2.123  -0.038
   80    HB3  PHE  12          1HB       PHE  12  -2.414  -3.814  -0.048
   81    HD1  PHE  12          1HD       PHE  12  -0.737  -1.232  -2.017
   82    HD2  PHE  12          2HD       PHE  12  -1.570  -5.349  -1.545
   83    HE1  PHE  12          1HE       PHE  12   0.937  -1.754  -3.744
   84    HE2  PHE  12          2HE       PHE  12   0.099  -5.896  -3.284
   85    HZ   PHE  12           HZ       PHE  12   1.348  -4.103  -4.377
   86    HA   PRO  13           HA       PRO  13  -6.214  -5.539  -2.910
   87    HB2  PRO  13          2HB       PRO  13  -4.799  -6.777  -4.931
   88    HB3  PRO  13          1HB       PRO  13  -5.865  -5.391  -5.170
   89    HG2  PRO  13          2HG       PRO  13  -2.890  -5.464  -4.879
   90    HG3  PRO  13          1HG       PRO  13  -3.877  -4.498  -5.987
   91    HD2  PRO  13          2HD       PRO  13  -2.813  -3.446  -3.765
   92    HD3  PRO  13          1HD       PRO  13  -4.413  -2.946  -4.345
   93    H    THR  14           H        THR  14  -2.803  -6.605  -3.245
   94    HA   THR  14           HA       THR  14  -3.492  -9.008  -1.777
   95    HB   THR  14           HB       THR  14  -0.871  -9.147  -2.800
   96    HG1  THR  14          1HG       THR  14  -0.961  -7.966  -4.642
   97   HG21  THR  14          1HG2      THR  14  -2.441 -11.013  -2.631
   98   HG22  THR  14          2HG2      THR  14  -1.906 -10.841  -4.304
   99   HG23  THR  14          3HG2      THR  14  -3.495 -10.257  -3.820
  100    H    CYS  15           H        CYS  15  -3.207  -8.717   0.329
  101    HA   CYS  15           HA       CYS  15  -1.623  -6.812   1.570
  102    HB2  CYS  15          2HB       CYS  15  -3.463  -7.890   2.716
  103    HB3  CYS  15          1HB       CYS  15  -2.597  -9.424   2.709
  104    H    GLU  16           H        GLU  16  -0.737 -10.156   0.761
  105    HA   GLU  16           HA       GLU  16   1.680 -10.120   2.264
  106    HB2  GLU  16          2HB       GLU  16   2.278 -12.126   0.985
  107    HB3  GLU  16          1HB       GLU  16   0.644 -12.227   1.615
  108    HG2  GLU  16          2HG       GLU  16  -0.203 -11.572  -0.620
  109    HG3  GLU  16          1HG       GLU  16   1.453 -11.589  -1.208
  110    H    GLU  17           H        GLU  17   0.778  -8.973  -0.789
  111    HA   GLU  17           HA       GLU  17   3.459  -8.687  -1.829
  112    HB2  GLU  17          2HB       GLU  17   1.591  -9.314  -3.269
  113    HB3  GLU  17          1HB       GLU  17   0.748  -7.847  -2.826
  114    HG2  GLU  17          2HG       GLU  17   2.410  -6.518  -3.974
  115    HG3  GLU  17          1HG       GLU  17   3.320  -7.981  -4.374
  116    H    ALA  18           H        ALA  18   1.022  -6.882  -0.176
  117    HA   ALA  18           HA       ALA  18   1.761  -4.243  -0.651
  118    HB1  ALA  18          1HB       ALA  18  -0.287  -4.874   0.536
  119    HB2  ALA  18          2HB       ALA  18   0.645  -3.678   1.440
  120    HB3  ALA  18          3HB       ALA  18   0.676  -5.374   1.925
  121    H    LYS  19           H        LYS  19   3.157  -6.575   1.544
  122    HA   LYS  19           HA       LYS  19   4.802  -4.599   2.804
  123    HB2  LYS  19          2HB       LYS  19   4.633  -7.583   3.105
  124    HB3  LYS  19          1HB       LYS  19   5.995  -6.708   3.785
  125    HG2  LYS  19          2HG       LYS  19   4.292  -7.080   5.478
  126    HG3  LYS  19          1HG       LYS  19   4.452  -5.361   5.146
  127    HD2  LYS  19          2HD       LYS  19   2.454  -5.500   3.694
  128    HD3  LYS  19          1HD       LYS  19   2.289  -7.200   4.115
  129    HE2  LYS  19          2HE       LYS  19   2.180  -4.885   6.055
  130    HE3  LYS  19          1HE       LYS  19   0.787  -5.754   5.420
  131    HZ1  LYS  19          1HZ       LYS  19   2.912  -6.903   7.173
  132    HZ2  LYS  19          2HZ       LYS  19   1.679  -7.771   6.476
  133    HZ3  LYS  19          3HZ       LYS  19   1.311  -6.575   7.598
  134    H    LYS  20           H        LYS  20   4.979  -5.974  -0.110
  135    HA   LYS  20           HA       LYS  20   7.890  -5.698  -0.248
  136    HB2  LYS  20          2HB       LYS  20   7.214  -7.846  -1.066
  137    HB3  LYS  20          1HB       LYS  20   5.927  -7.147  -2.034
  138    HG2  LYS  20          2HG       LYS  20   7.785  -7.885  -3.424
  139    HG3  LYS  20          1HG       LYS  20   7.584  -6.138  -3.519
  140    HD2  LYS  20          2HD       LYS  20   9.414  -5.883  -1.877
  141    HD3  LYS  20          1HD       LYS  20   9.626  -7.632  -1.885
  142    HE2  LYS  20          2HE       LYS  20   9.918  -5.832  -4.301
  143    HE3  LYS  20          1HE       LYS  20  11.255  -6.448  -3.343
  144    HZ1  LYS  20          1HZ       LYS  20  10.548  -8.717  -3.973
  145    HZ2  LYS  20          2HZ       LYS  20  10.989  -7.762  -5.278
  146    HZ3  LYS  20          3HZ       LYS  20   9.364  -8.057  -4.998
  147    H    MET  21           H        MET  21   4.896  -4.861  -1.956
  148    HA   MET  21           HA       MET  21   6.171  -3.290  -3.868
  149    HB2  MET  21          2HB       MET  21   4.052  -4.427  -4.270
  150    HB3  MET  21          1HB       MET  21   3.266  -3.371  -3.108
  151    HG2  MET  21          2HG       MET  21   2.843  -2.674  -5.406
  152    HG3  MET  21          1HG       MET  21   3.728  -1.441  -4.506
  153    HE1  MET  21          1HE       MET  21   4.348  -0.256  -6.828
  154    HE2  MET  21          2HE       MET  21   3.484  -1.510  -7.715
  155    HE3  MET  21          3HE       MET  21   5.136  -1.088  -8.169
  156    H    LYS  22           H        LYS  22   6.587  -1.410  -4.017
  157    HA   LYS  22           HA       LYS  22   6.814   0.469  -1.927
  158    HB2  LYS  22          2HB       LYS  22   6.821   0.927  -4.911
  159    HB3  LYS  22          1HB       LYS  22   7.400   2.061  -3.704
  160    HG2  LYS  22          2HG       LYS  22   9.150   0.504  -3.059
  161    HG3  LYS  22          1HG       LYS  22   8.558  -0.658  -4.246
  162    HD2  LYS  22          2HD       LYS  22   9.016   0.901  -6.045
  163    HD3  LYS  22          1HD       LYS  22   9.536   2.117  -4.879
  164    HE2  LYS  22          2HE       LYS  22  10.850  -0.562  -5.295
  165    HE3  LYS  22          1HE       LYS  22  11.419   0.962  -5.973
  166    HZ1  LYS  22          1HZ       LYS  22  11.713   1.792  -3.718
  167    HZ2  LYS  22          2HZ       LYS  22  12.612   0.390  -3.979
  168    HZ3  LYS  22          3HZ       LYS  22  11.208   0.319  -3.080
  169    H    LYS  23           H        LYS  23   5.548   2.233  -1.384
  170    HA   LYS  23           HA       LYS  23   2.782   1.949  -2.155
  171    HB2  LYS  23          2HB       LYS  23   3.992   3.824  -0.129
  172    HB3  LYS  23          1HB       LYS  23   2.287   3.456  -0.331
  173    HG2  LYS  23          2HG       LYS  23   4.432   1.543   0.555
  174    HG3  LYS  23          1HG       LYS  23   3.193   2.277   1.575
  175    HD2  LYS  23          2HD       LYS  23   1.459   1.102   0.304
  176    HD3  LYS  23          1HD       LYS  23   2.697   0.389  -0.731
  177    HE2  LYS  23          2HE       LYS  23   2.417  -0.030   2.241
  178    HE3  LYS  23          1HE       LYS  23   1.967  -1.184   0.988
  179    HZ1  LYS  23          1HZ       LYS  23   4.081  -1.747   1.902
  180    HZ2  LYS  23          2HZ       LYS  23   4.726  -0.233   1.603
  181    HZ3  LYS  23          3HZ       LYS  23   4.336  -1.260   0.315
  182    H    ARG  24           H        ARG  24   1.616   3.365  -3.269
  183    HA   ARG  24           HA       ARG  24   3.080   5.454  -4.649
  184    HB2  ARG  24          2HB       ARG  24   1.863   3.871  -6.037
  185    HB3  ARG  24          1HB       ARG  24   0.382   4.198  -5.167
  186    HG2  ARG  24          2HG       ARG  24   0.399   5.215  -7.394
  187    HG3  ARG  24          1HG       ARG  24   0.267   6.420  -6.122
  188    HD2  ARG  24          2HD       ARG  24   2.953   5.742  -7.271
  189    HD3  ARG  24          1HD       ARG  24   1.865   6.813  -8.150
  190    HE   ARG  24           HE       ARG  24   1.895   7.896  -5.702
  191   HH11  ARG  24          1HH1      ARG  24   4.551   6.958  -7.863
  192   HH12  ARG  24          2HH1      ARG  24   5.586   8.210  -7.351
  193   HH21  ARG  24          1HH2      ARG  24   3.334   9.617  -5.013
  194   HH22  ARG  24          2HH2      ARG  24   4.888   9.754  -5.697
  195    H    CYS  25           H        CYS  25   3.219   6.955  -3.064
  196    HA   CYS  25           HA       CYS  25   0.737   8.388  -2.496
  197    HB2  CYS  25          2HB       CYS  25   1.491   7.183  -0.463
  198    HB3  CYS  25          1HB       CYS  25   3.076   7.922  -0.607
  Start of MODEL   11
    1    H1   CYS   1          1HT       CYS   1  -5.406  -5.352   4.575
    2    H2   CYS   1          2HT       CYS   1  -5.526  -4.542   6.059
    3    H3   CYS   1          3HT       CYS   1  -4.765  -6.051   5.963
    4    HA   CYS   1           HA       CYS   1  -3.236  -4.195   6.131
    5    HB2  CYS   1          2HB       CYS   1  -3.140  -5.759   3.529
    6    HB3  CYS   1          1HB       CYS   1  -1.775  -4.956   4.277
    7    H    SER   2           H        SER   2  -3.631  -2.105   5.994
    8    HA   SER   2           HA       SER   2  -4.491  -1.043   3.419
    9    HB2  SER   2          2HB       SER   2  -6.083  -0.834   5.307
   10    HB3  SER   2          1HB       SER   2  -4.886   0.116   6.186
   11    HG   SER   2           HG       SER   2  -6.680   0.926   4.523
   12    H    TYR   3           H        TYR   3  -3.717   1.080   3.020
   13    HA   TYR   3           HA       TYR   3  -1.080   1.694   4.121
   14    HB2  TYR   3          2HB       TYR   3  -0.631   0.728   1.985
   15    HB3  TYR   3          1HB       TYR   3  -1.953   1.598   1.222
   16    HD1  TYR   3          1HD       TYR   3   1.325   2.136   2.916
   17    HD2  TYR   3          2HD       TYR   3  -1.502   3.592   0.093
   18    HE1  TYR   3          1HE       TYR   3   2.876   3.898   2.269
   19    HE2  TYR   3          2HE       TYR   3   0.047   5.344  -0.570
   20    HH   TYR   3           HH       TYR   3   1.960   6.565   0.361
   21    H    THR   4           H        THR   4  -0.654   3.923   4.256
   22    HA   THR   4           HA       THR   4  -3.034   5.578   3.890
   23    HB   THR   4           HB       THR   4  -0.900   5.896   6.001
   24    HG1  THR   4          1HG       THR   4  -3.166   4.360   5.792
   25   HG21  THR   4          1HG2      THR   4  -2.101   7.969   5.388
   26   HG22  THR   4          2HG2      THR   4  -2.533   7.435   7.014
   27   HG23  THR   4          3HG2      THR   4  -3.635   7.145   5.667
   28    H    CYS   5           H        CYS   5  -2.787   7.121   2.449
   29    HA   CYS   5           HA       CYS   5  -0.125   8.275   2.103
   30    HB2  CYS   5          2HB       CYS   5  -0.968   6.799   0.151
   31    HB3  CYS   5          1HB       CYS   5  -2.191   8.016  -0.089
   32    HA   DPR   6           HA       DPR   6  -2.082  12.282   2.589
   33    HB2  DPR   6          1HB       DPR   6  -1.489  11.645   5.444
   34    HB3  DPR   6          2HB       DPR   6  -1.122  13.132   4.550
   35    HG2  DPR   6          1HG       DPR   6   0.813  11.428   5.092
   36    HG3  DPR   6          2HG       DPR   6   0.706  12.127   3.464
   37    HD2  DPR   6          1HD       DPR   6  -0.130   9.410   4.420
   38    HD3  DPR   6          2HD       DPR   6   0.735   9.881   2.939
   39    HA   PRO   7           HA       PRO   7  -5.913  11.374   4.853
   40    HB2  PRO   7          2HB       PRO   7  -7.590  12.673   3.240
   41    HB3  PRO   7          1HB       PRO   7  -6.493  13.554   4.310
   42    HG2  PRO   7          2HG       PRO   7  -6.280  13.055   1.376
   43    HG3  PRO   7          1HG       PRO   7  -5.855  14.502   2.302
   44    HD2  PRO   7          2HD       PRO   7  -4.071  12.539   1.439
   45    HD3  PRO   7          1HD       PRO   7  -3.750  13.731   2.719
   46    H    GLN   8           H        GLN   8  -4.723  10.106   2.063
   47    HA   GLN   8           HA       GLN   8  -7.165   8.785   1.189
   48    HB2  GLN   8          2HB       GLN   8  -4.349   8.680   0.098
   49    HB3  GLN   8          1HB       GLN   8  -5.729   7.855  -0.604
   50    HG2  GLN   8          2HG       GLN   8  -6.776   9.978  -1.109
   51    HG3  GLN   8          1HG       GLN   8  -5.458  10.841  -0.315
   52   HE21  GLN   8          1HE2      GLN   8  -3.454  10.962  -1.341
   53   HE22  GLN   8          2HE2      GLN   8  -3.256  10.629  -3.009
   54    H    THR   9           H        THR   9  -7.717   6.982   2.197
   55    HA   THR   9           HA       THR   9  -5.646   5.252   3.308
   56    HB   THR   9           HB       THR   9  -8.668   5.170   3.651
   57    HG1  THR   9          1HG       THR   9  -6.903   6.816   4.712
   58   HG21  THR   9          1HG2      THR   9  -8.196   3.617   5.499
   59   HG22  THR   9          2HG2      THR   9  -6.472   3.717   5.150
   60   HG23  THR   9          3HG2      THR   9  -7.565   2.982   3.980
   61    H    TYR  10           H        TYR  10  -4.923   3.786   2.108
   62    HA   TYR  10           HA       TYR  10  -6.394   3.008  -0.282
   63    HB2  TYR  10          2HB       TYR  10  -4.075   4.058  -0.312
   64    HB3  TYR  10          1HB       TYR  10  -3.504   2.564   0.406
   65    HD1  TYR  10          1HD       TYR  10  -4.458   4.248  -2.505
   66    HD2  TYR  10          2HD       TYR  10  -3.781   0.424  -0.900
   67    HE1  TYR  10          1HE       TYR  10  -4.284   3.336  -4.815
   68    HE2  TYR  10          2HE       TYR  10  -3.584  -0.543  -3.168
   69    HH   TYR  10           HH       TYR  10  -4.295  -0.002  -5.458
   70    H    THR  11           H        THR  11  -7.442   1.113  -0.038
   71    HA   THR  11           HA       THR  11  -6.470  -0.891   1.826
   72    HB   THR  11           HB       THR  11  -8.866  -0.998  -0.033
   73    HG1  THR  11          1HG       THR  11  -8.688  -0.129   2.660
   74   HG21  THR  11          1HG2      THR  11  -8.160  -3.145   0.970
   75   HG22  THR  11          2HG2      THR  11  -9.715  -2.617   1.615
   76   HG23  THR  11          3HG2      THR  11  -8.247  -2.415   2.572
   77    H    PHE  12           H        PHE  12  -5.282  -2.576   1.197
   78    HA   PHE  12           HA       PHE  12  -4.838  -2.787  -1.673
   79    HB2  PHE  12          2HB       PHE  12  -2.954  -2.306   0.140
   80    HB3  PHE  12          1HB       PHE  12  -3.070  -4.051   0.363
   81    HD1  PHE  12          1HD       PHE  12  -2.771  -5.517  -1.592
   82    HD2  PHE  12          2HD       PHE  12  -1.719  -1.432  -1.635
   83    HE1  PHE  12          1HE       PHE  12  -1.353  -5.918  -3.579
   84    HE2  PHE  12          2HE       PHE  12  -0.278  -1.801  -3.598
   85    HZ   PHE  12           HZ       PHE  12  -0.099  -4.050  -4.578
   86    HA   PRO  13           HA       PRO  13  -7.211  -6.574  -1.523
   87    HB2  PRO  13          2HB       PRO  13  -6.017  -7.759  -3.739
   88    HB3  PRO  13          1HB       PRO  13  -7.402  -6.671  -3.782
   89    HG2  PRO  13          2HG       PRO  13  -4.516  -6.091  -4.267
   90    HG3  PRO  13          1HG       PRO  13  -5.944  -5.420  -5.072
   91    HD2  PRO  13          2HD       PRO  13  -4.571  -4.028  -3.256
   92    HD3  PRO  13          1HD       PRO  13  -6.342  -3.904  -3.364
   93    H    THR  14           H        THR  14  -3.790  -7.155  -2.449
   94    HA   THR  14           HA       THR  14  -3.837  -9.572  -0.839
   95    HB   THR  14           HB       THR  14  -1.688  -9.942  -2.259
   96    HG1  THR  14          1HG       THR  14  -1.762  -8.815  -4.227
   97   HG21  THR  14          1HG2      THR  14  -3.036 -10.862  -4.105
   98   HG22  THR  14          2HG2      THR  14  -4.427  -9.932  -3.545
   99   HG23  THR  14          3HG2      THR  14  -3.771 -11.226  -2.544
  100    H    CYS  15           H        CYS  15  -2.786  -9.499   1.071
  101    HA   CYS  15           HA       CYS  15  -1.421  -7.168   1.859
  102    HB2  CYS  15          2HB       CYS  15  -2.690  -8.726   3.384
  103    HB3  CYS  15          1HB       CYS  15  -1.308  -9.817   3.286
  104    H    GLU  16           H        GLU  16  -0.286 -10.235   0.613
  105    HA   GLU  16           HA       GLU  16   2.430  -9.985   1.233
  106    HB2  GLU  16          2HB       GLU  16   1.055 -11.313  -1.104
  107    HB3  GLU  16          1HB       GLU  16   2.788 -11.371  -0.878
  108    HG2  GLU  16          2HG       GLU  16   1.678 -13.414  -0.108
  109    HG3  GLU  16          1HG       GLU  16   2.524 -12.592   1.194
  110    H    GLU  17           H        GLU  17   0.529  -8.679  -1.414
  111    HA   GLU  17           HA       GLU  17   2.826  -7.515  -2.627
  112    HB2  GLU  17          2HB       GLU  17  -0.091  -7.419  -3.229
  113    HB3  GLU  17          1HB       GLU  17   1.063  -6.421  -4.117
  114    HG2  GLU  17          2HG       GLU  17   2.181  -8.347  -4.932
  115    HG3  GLU  17          1HG       GLU  17   1.263  -9.399  -3.857
  116    H    ALA  18           H        ALA  18   0.315  -6.505  -0.446
  117    HA   ALA  18           HA       ALA  18   0.564  -3.729  -0.564
  118    HB1  ALA  18          1HB       ALA  18  -0.339  -3.695   1.698
  119    HB2  ALA  18          2HB       ALA  18   0.062  -5.399   1.897
  120    HB3  ALA  18          3HB       ALA  18  -1.168  -4.919   0.729
  121    H    LYS  19           H        LYS  19   2.497  -6.107   1.078
  122    HA   LYS  19           HA       LYS  19   4.197  -4.084   2.292
  123    HB2  LYS  19          2HB       LYS  19   4.255  -7.091   2.460
  124    HB3  LYS  19          1HB       LYS  19   5.309  -6.015   3.370
  125    HG2  LYS  19          2HG       LYS  19   3.367  -5.055   4.502
  126    HG3  LYS  19          1HG       LYS  19   2.303  -6.109   3.575
  127    HD2  LYS  19          2HD       LYS  19   4.451  -7.055   5.474
  128    HD3  LYS  19          1HD       LYS  19   2.738  -6.930   5.871
  129    HE2  LYS  19          2HE       LYS  19   2.217  -8.557   4.112
  130    HE3  LYS  19          1HE       LYS  19   3.928  -8.679   3.714
  131    HZ1  LYS  19          1HZ       LYS  19   2.708  -9.412   6.318
  132    HZ2  LYS  19          2HZ       LYS  19   4.349  -9.553   5.922
  133    HZ3  LYS  19          3HZ       LYS  19   3.203 -10.476   5.128
  134    H    LYS  20           H        LYS  20   4.002  -5.501  -0.630
  135    HA   LYS  20           HA       LYS  20   6.890  -5.812  -1.049
  136    HB2  LYS  20          2HB       LYS  20   5.491  -7.680  -1.761
  137    HB3  LYS  20          1HB       LYS  20   4.496  -6.570  -2.687
  138    HG2  LYS  20          2HG       LYS  20   6.311  -6.162  -4.225
  139    HG3  LYS  20          1HG       LYS  20   7.368  -7.219  -3.282
  140    HD2  LYS  20          2HD       LYS  20   5.927  -9.117  -3.719
  141    HD3  LYS  20          1HD       LYS  20   4.774  -8.081  -4.554
  142    HE2  LYS  20          2HE       LYS  20   6.204  -9.384  -6.078
  143    HE3  LYS  20          1HE       LYS  20   6.353  -7.643  -6.309
  144    HZ1  LYS  20          1HZ       LYS  20   8.262  -9.334  -4.769
  145    HZ2  LYS  20          2HZ       LYS  20   8.439  -7.691  -5.114
  146    HZ3  LYS  20          3HZ       LYS  20   8.484  -8.811  -6.341
  147    H    MET  21           H        MET  21   4.019  -4.373  -2.520
  148    HA   MET  21           HA       MET  21   5.502  -2.731  -4.323
  149    HB2  MET  21          2HB       MET  21   3.307  -3.639  -4.945
  150    HB3  MET  21          1HB       MET  21   2.561  -2.795  -3.599
  151    HG2  MET  21          2HG       MET  21   2.167  -1.709  -5.752
  152    HG3  MET  21          1HG       MET  21   3.016  -0.662  -4.620
  153    HE1  MET  21          1HE       MET  21   3.707   0.934  -6.658
  154    HE2  MET  21          2HE       MET  21   2.891  -0.114  -7.822
  155    HE3  MET  21          3HE       MET  21   4.556   0.385  -8.103
  156    H    LYS  22           H        LYS  22   6.568  -1.105  -3.546
  157    HA   LYS  22           HA       LYS  22   5.699   0.228  -1.131
  158    HB2  LYS  22          2HB       LYS  22   8.048  -0.428  -1.409
  159    HB3  LYS  22          1HB       LYS  22   8.185   0.650  -2.789
  160    HG2  LYS  22          2HG       LYS  22   7.710   2.567  -1.336
  161    HG3  LYS  22          1HG       LYS  22   7.577   1.482   0.044
  162    HD2  LYS  22          2HD       LYS  22  10.052   1.901  -1.638
  163    HD3  LYS  22          1HD       LYS  22   9.754   2.576  -0.036
  164    HE2  LYS  22          2HE       LYS  22   9.600   0.273   0.866
  165    HE3  LYS  22          1HE       LYS  22   9.987  -0.344  -0.740
  166    HZ1  LYS  22          1HZ       LYS  22  12.116   0.807  -0.616
  167    HZ2  LYS  22          2HZ       LYS  22  11.923  -0.300   0.632
  168    HZ3  LYS  22          3HZ       LYS  22  11.734   1.350   0.938
  169    H    LYS  23           H        LYS  23   4.645   2.034  -1.108
  170    HA   LYS  23           HA       LYS  23   4.384   3.594  -3.573
  171    HB2  LYS  23          2HB       LYS  23   2.566   3.280  -1.187
  172    HB3  LYS  23          1HB       LYS  23   2.294   4.428  -2.484
  173    HG2  LYS  23          2HG       LYS  23   1.946   2.671  -4.064
  174    HG3  LYS  23          1HG       LYS  23   2.468   1.452  -2.897
  175    HD2  LYS  23          2HD       LYS  23   0.571   1.870  -1.510
  176    HD3  LYS  23          1HD       LYS  23   0.099   3.261  -2.472
  177    HE2  LYS  23          2HE       LYS  23   0.193   0.420  -3.460
  178    HE3  LYS  23          1HE       LYS  23  -1.263   1.235  -2.897
  179    HZ1  LYS  23          1HZ       LYS  23  -1.103   1.288  -5.300
  180    HZ2  LYS  23          2HZ       LYS  23   0.379   2.038  -5.252
  181    HZ3  LYS  23          3HZ       LYS  23  -0.986   2.855  -4.708
  182    H    ARG  24           H        ARG  24   4.308   5.943  -3.244
  183    HA   ARG  24           HA       ARG  24   5.432   6.880  -0.736
  184    HB2  ARG  24          2HB       ARG  24   7.325   6.334  -2.279
  185    HB3  ARG  24          1HB       ARG  24   6.648   7.445  -3.452
  186    HG2  ARG  24          2HG       ARG  24   7.088   9.318  -1.996
  187    HG3  ARG  24          1HG       ARG  24   7.637   8.226  -0.719
  188    HD2  ARG  24          2HD       ARG  24   9.525   9.220  -1.937
  189    HD3  ARG  24          1HD       ARG  24   9.475   7.467  -2.120
  190    HE   ARG  24           HE       ARG  24   8.346   9.249  -4.147
  191   HH11  ARG  24          1HH1      ARG  24  10.658   6.685  -3.324
  192   HH12  ARG  24          2HH1      ARG  24  11.073   6.370  -4.952
  193   HH21  ARG  24          1HH2      ARG  24   8.937   8.771  -6.364
  194   HH22  ARG  24          2HH2      ARG  24  10.098   7.556  -6.681
  195    H    CYS  25           H        CYS  25   4.970   9.127  -0.406
  196    HA   CYS  25           HA       CYS  25   2.879  10.116  -2.194
  197    HB2  CYS  25          2HB       CYS  25   3.143  10.593   0.783
  198    HB3  CYS  25          1HB       CYS  25   1.802  11.079  -0.251
  Start of MODEL   12
    1    H1   CYS   1          1HT       CYS   1  -3.562  -5.282   5.719
    2    H2   CYS   1          2HT       CYS   1  -2.761  -4.409   6.916
    3    H3   CYS   1          3HT       CYS   1  -2.012  -5.748   6.215
    4    HA   CYS   1           HA       CYS   1  -1.144  -3.675   5.469
    5    HB2  CYS   1          2HB       CYS   1  -2.527  -5.434   3.471
    6    HB3  CYS   1          1HB       CYS   1  -1.514  -4.093   2.963
    7    H    SER   2           H        SER   2  -2.066  -1.855   6.231
    8    HA   SER   2           HA       SER   2  -3.861  -0.609   4.337
    9    HB2  SER   2          2HB       SER   2  -5.156  -1.107   6.328
   10    HB3  SER   2          1HB       SER   2  -3.945  -0.331   7.368
   11    HG   SER   2           HG       SER   2  -6.049   0.733   6.104
   12    H    TYR   3           H        TYR   3  -3.417   1.536   4.107
   13    HA   TYR   3           HA       TYR   3  -0.935   2.546   5.236
   14    HB2  TYR   3          2HB       TYR   3  -0.205   1.291   3.279
   15    HB3  TYR   3          1HB       TYR   3  -1.387   2.093   2.266
   16    HD1  TYR   3          1HD       TYR   3  -0.750   3.976   1.057
   17    HD2  TYR   3          2HD       TYR   3   1.567   2.777   4.414
   18    HE1  TYR   3          1HE       TYR   3   0.864   5.681   0.518
   19    HE2  TYR   3          2HE       TYR   3   3.223   4.492   3.889
   20    HH   TYR   3           HH       TYR   3   3.974   5.797   1.947
   21    H    THR   4           H        THR   4  -0.673   4.926   4.585
   22    HA   THR   4           HA       THR   4  -3.268   6.080   3.911
   23    HB   THR   4           HB       THR   4  -1.431   7.211   6.030
   24    HG1  THR   4          1HG       THR   4  -2.240   5.175   6.654
   25   HG21  THR   4          1HG2      THR   4  -4.345   7.701   5.363
   26   HG22  THR   4          2HG2      THR   4  -3.010   8.785   4.975
   27   HG23  THR   4          3HG2      THR   4  -3.440   8.482   6.659
   28    H    CYS   5           H        CYS   5  -3.067   7.302   2.171
   29    HA   CYS   5           HA       CYS   5  -0.582   8.837   1.771
   30    HB2  CYS   5          2HB       CYS   5  -0.931   7.198  -0.045
   31    HB3  CYS   5          1HB       CYS   5  -2.548   7.826  -0.322
   32    HA   DPR   6           HA       DPR   6  -2.872  12.653   1.776
   33    HB2  DPR   6          1HB       DPR   6  -2.338  12.409   4.693
   34    HB3  DPR   6          2HB       DPR   6  -2.044  13.800   3.633
   35    HG2  DPR   6          1HG       DPR   6  -0.031  12.320   4.441
   36    HG3  DPR   6          2HG       DPR   6  -0.113  12.821   2.742
   37    HD2  DPR   6          1HD       DPR   6  -0.768  10.171   3.978
   38    HD3  DPR   6          2HD       DPR   6   0.091  10.548   2.467
   39    HA   PRO   7           HA       PRO   7  -6.755  11.894   3.975
   40    HB2  PRO   7          2HB       PRO   7  -8.424  12.593   2.017
   41    HB3  PRO   7          1HB       PRO   7  -7.410  13.805   2.808
   42    HG2  PRO   7          2HG       PRO   7  -7.053  12.479   0.153
   43    HG3  PRO   7          1HG       PRO   7  -6.768  14.167   0.607
   44    HD2  PRO   7          2HD       PRO   7  -4.805  12.201   0.409
   45    HD3  PRO   7          1HD       PRO   7  -4.647  13.727   1.299
   46    H    GLN   8           H        GLN   8  -5.399  10.085   1.523
   47    HA   GLN   8           HA       GLN   8  -7.731   8.416   0.975
   48    HB2  GLN   8          2HB       GLN   8  -4.935   8.251  -0.134
   49    HB3  GLN   8          1HB       GLN   8  -6.343   7.381  -0.711
   50    HG2  GLN   8          2HG       GLN   8  -7.340   9.436  -1.479
   51    HG3  GLN   8          1HG       GLN   8  -6.004  10.368  -0.800
   52   HE21  GLN   8          1HE2      GLN   8  -6.904  10.222  -3.547
   53   HE22  GLN   8          2HE2      GLN   8  -5.556   9.667  -4.469
   54    H    THR   9           H        THR   9  -8.040   6.831   2.452
   55    HA   THR   9           HA       THR   9  -5.795   5.566   3.759
   56    HB   THR   9           HB       THR   9  -8.680   4.626   3.714
   57    HG1  THR   9          1HG       THR   9  -7.486   6.511   5.487
   58   HG21  THR   9          1HG2      THR   9  -8.099   3.758   5.948
   59   HG22  THR   9          2HG2      THR   9  -6.475   4.422   5.781
   60   HG23  THR   9          3HG2      THR   9  -7.007   3.122   4.718
   61    H    TYR  10           H        TYR  10  -4.626   4.227   2.728
   62    HA   TYR  10           HA       TYR  10  -5.613   3.261   0.219
   63    HB2  TYR  10          2HB       TYR  10  -3.439   4.476   0.383
   64    HB3  TYR  10          1HB       TYR  10  -2.810   3.126   1.309
   65    HD1  TYR  10          1HD       TYR  10  -1.851   1.341   0.205
   66    HD2  TYR  10          2HD       TYR  10  -4.455   3.938  -1.847
   67    HE1  TYR  10          1HE       TYR  10  -1.321   0.168  -1.894
   68    HE2  TYR  10          2HE       TYR  10  -3.954   2.803  -3.984
   69    HH   TYR  10           HH       TYR  10  -2.243   1.422  -4.962
   70    H    THR  11           H        THR  11  -6.605   1.462   0.263
   71    HA   THR  11           HA       THR  11  -5.558  -0.764   1.844
   72    HB   THR  11           HB       THR  11  -7.931  -1.689   1.405
   73    HG1  THR  11          1HG       THR  11  -8.320   0.085  -0.149
   74   HG21  THR  11          1HG2      THR  11  -8.867  -0.484   3.339
   75   HG22  THR  11          2HG2      THR  11  -7.596   0.730   3.188
   76   HG23  THR  11          3HG2      THR  11  -7.181  -0.929   3.614
   77    H    PHE  12           H        PHE  12  -4.610  -2.251   0.791
   78    HA   PHE  12           HA       PHE  12  -4.877  -2.256  -2.117
   79    HB2  PHE  12          2HB       PHE  12  -2.631  -1.882  -0.894
   80    HB3  PHE  12          1HB       PHE  12  -2.755  -3.593  -0.483
   81    HD1  PHE  12          1HD       PHE  12  -2.527  -1.228  -3.245
   82    HD2  PHE  12          2HD       PHE  12  -2.162  -5.245  -2.016
   83    HE1  PHE  12          1HE       PHE  12  -1.492  -1.778  -5.423
   84    HE2  PHE  12          2HE       PHE  12  -1.130  -5.824  -4.198
   85    HZ   PHE  12           HZ       PHE  12  -0.796  -4.088  -5.891
   86    HA   PRO  13           HA       PRO  13  -7.269  -5.996  -2.104
   87    HB2  PRO  13          2HB       PRO  13  -5.321  -6.814  -4.221
   88    HB3  PRO  13          1HB       PRO  13  -7.086  -6.922  -4.222
   89    HG2  PRO  13          2HG       PRO  13  -5.881  -4.978  -5.555
   90    HG3  PRO  13          1HG       PRO  13  -7.357  -4.655  -4.633
   91    HD2  PRO  13          2HD       PRO  13  -4.535  -3.922  -3.980
   92    HD3  PRO  13          1HD       PRO  13  -6.055  -3.078  -3.612
   93    H    THR  14           H        THR  14  -3.878  -6.940  -2.820
   94    HA   THR  14           HA       THR  14  -4.222  -9.116  -0.878
   95    HB   THR  14           HB       THR  14  -1.906  -8.866  -2.747
   96    HG1  THR  14          1HG       THR  14  -4.602  -9.489  -3.304
   97   HG21  THR  14          1HG2      THR  14  -3.401 -11.215  -1.573
   98   HG22  THR  14          2HG2      THR  14  -1.803 -10.625  -1.098
   99   HG23  THR  14          3HG2      THR  14  -2.043 -11.339  -2.689
  100    H    CYS  15           H        CYS  15  -3.084  -9.038   0.973
  101    HA   CYS  15           HA       CYS  15  -1.630  -6.729   1.663
  102    HB2  CYS  15          2HB       CYS  15  -2.945  -8.019   3.300
  103    HB3  CYS  15          1HB       CYS  15  -1.868  -9.386   3.105
  104    H    GLU  16           H        GLU  16  -0.640  -9.979   0.638
  105    HA   GLU  16           HA       GLU  16   2.106  -9.560   1.300
  106    HB2  GLU  16          2HB       GLU  16   0.756 -11.587  -0.449
  107    HB3  GLU  16          1HB       GLU  16   2.508 -11.501  -0.328
  108    HG2  GLU  16          2HG       GLU  16   0.587 -11.967   1.938
  109    HG3  GLU  16          1HG       GLU  16   1.628 -13.176   1.178
  110    H    GLU  17           H        GLU  17   0.222  -8.868  -1.459
  111    HA   GLU  17           HA       GLU  17   2.393  -8.173  -3.164
  112    HB2  GLU  17          2HB       GLU  17  -0.526  -7.445  -3.195
  113    HB3  GLU  17          1HB       GLU  17   0.605  -7.043  -4.485
  114    HG2  GLU  17          2HG       GLU  17   0.003  -9.840  -3.574
  115    HG3  GLU  17          1HG       GLU  17  -0.795  -9.055  -4.934
  116    H    ALA  18           H        ALA  18   0.222  -6.470  -0.976
  117    HA   ALA  18           HA       ALA  18   1.043  -3.842  -1.483
  118    HB1  ALA  18          1HB       ALA  18   0.014  -4.967   1.111
  119    HB2  ALA  18          2HB       ALA  18  -0.984  -4.463  -0.246
  120    HB3  ALA  18          3HB       ALA  18  -0.003  -3.270   0.618
  121    H    LYS  19           H        LYS  19   2.357  -6.319   0.524
  122    HA   LYS  19           HA       LYS  19   4.198  -4.681   1.943
  123    HB2  LYS  19          2HB       LYS  19   3.936  -7.649   1.553
  124    HB3  LYS  19          1HB       LYS  19   5.190  -6.923   2.548
  125    HG2  LYS  19          2HG       LYS  19   3.620  -6.057   4.078
  126    HG3  LYS  19          1HG       LYS  19   2.275  -6.364   2.984
  127    HD2  LYS  19          2HD       LYS  19   2.394  -7.975   4.862
  128    HD3  LYS  19          1HD       LYS  19   2.517  -8.747   3.286
  129    HE2  LYS  19          2HE       LYS  19   4.907  -8.917   3.527
  130    HE3  LYS  19          1HE       LYS  19   4.850  -8.059   5.064
  131    HZ1  LYS  19          1HZ       LYS  19   3.600  -9.861   6.001
  132    HZ2  LYS  19          2HZ       LYS  19   4.989 -10.501   5.309
  133    HZ3  LYS  19          3HZ       LYS  19   3.494 -10.641   4.514
  134    H    LYS  20           H        LYS  20   4.196  -6.051  -1.195
  135    HA   LYS  20           HA       LYS  20   7.091  -5.751  -1.342
  136    HB2  LYS  20          2HB       LYS  20   6.136  -7.881  -2.208
  137    HB3  LYS  20          1HB       LYS  20   5.233  -6.958  -3.405
  138    HG2  LYS  20          2HG       LYS  20   7.333  -6.139  -4.358
  139    HG3  LYS  20          1HG       LYS  20   8.224  -7.066  -3.156
  140    HD2  LYS  20          2HD       LYS  20   7.284  -9.135  -4.067
  141    HD3  LYS  20          1HD       LYS  20   6.412  -8.193  -5.282
  142    HE2  LYS  20          2HE       LYS  20   8.461  -9.108  -6.227
  143    HE3  LYS  20          1HE       LYS  20   8.536  -7.352  -6.154
  144    HZ1  LYS  20          1HZ       LYS  20   9.828  -9.225  -4.240
  145    HZ2  LYS  20          2HZ       LYS  20   9.903  -7.555  -4.120
  146    HZ3  LYS  20          3HZ       LYS  20  10.613  -8.336  -5.421
  147    H    MET  21           H        MET  21   4.090  -4.656  -2.762
  148    HA   MET  21           HA       MET  21   5.241  -2.840  -4.637
  149    HB2  MET  21          2HB       MET  21   2.926  -3.852  -4.768
  150    HB3  MET  21          1HB       MET  21   2.459  -2.806  -3.441
  151    HG2  MET  21          2HG       MET  21   1.715  -1.889  -5.532
  152    HG3  MET  21          1HG       MET  21   2.948  -0.843  -4.831
  153    HE1  MET  21          1HE       MET  21   3.218   0.374  -7.181
  154    HE2  MET  21          2HE       MET  21   1.987  -0.681  -7.871
  155    HE3  MET  21          3HE       MET  21   3.534  -0.477  -8.694
  156    H    LYS  22           H        LYS  22   6.573  -1.389  -3.782
  157    HA   LYS  22           HA       LYS  22   6.404  -0.328  -1.211
  158    HB2  LYS  22          2HB       LYS  22   8.020   0.589  -3.591
  159    HB3  LYS  22          1HB       LYS  22   8.262   1.161  -1.943
  160    HG2  LYS  22          2HG       LYS  22   8.786  -1.095  -1.209
  161    HG3  LYS  22          1HG       LYS  22   8.484  -1.706  -2.831
  162    HD2  LYS  22          2HD       LYS  22  10.355  -0.331  -3.665
  163    HD3  LYS  22          1HD       LYS  22  10.657   0.220  -2.015
  164    HE2  LYS  22          2HE       LYS  22  11.090  -2.065  -1.299
  165    HE3  LYS  22          1HE       LYS  22  10.721  -2.657  -2.916
  166    HZ1  LYS  22          1HZ       LYS  22  13.092  -2.514  -2.542
  167    HZ2  LYS  22          2HZ       LYS  22  12.997  -0.871  -2.215
  168    HZ3  LYS  22          3HZ       LYS  22  12.633  -1.458  -3.753
  169    H    LYS  23           H        LYS  23   6.094   1.845  -0.510
  170    HA   LYS  23           HA       LYS  23   4.283   3.383  -2.238
  171    HB2  LYS  23          2HB       LYS  23   3.568   2.931   0.642
  172    HB3  LYS  23          1HB       LYS  23   2.547   3.469  -0.674
  173    HG2  LYS  23          2HG       LYS  23   2.655   1.208  -1.651
  174    HG3  LYS  23          1HG       LYS  23   3.617   0.689  -0.274
  175    HD2  LYS  23          2HD       LYS  23   1.697   1.443   1.180
  176    HD3  LYS  23          1HD       LYS  23   0.759   1.606  -0.307
  177    HE2  LYS  23          2HE       LYS  23   2.018  -0.892   0.805
  178    HE3  LYS  23          1HE       LYS  23   0.303  -0.544   0.604
  179    HZ1  LYS  23          1HZ       LYS  23   1.036  -1.988  -1.131
  180    HZ2  LYS  23          2HZ       LYS  23   2.305  -0.967  -1.526
  181    HZ3  LYS  23          3HZ       LYS  23   0.715  -0.477  -1.824
  182    H    ARG  24           H        ARG  24   5.088   5.393  -2.261
  183    HA   ARG  24           HA       ARG  24   6.437   6.442   0.119
  184    HB2  ARG  24          2HB       ARG  24   7.536   6.838  -2.098
  185    HB3  ARG  24          1HB       ARG  24   6.106   7.719  -2.620
  186    HG2  ARG  24          2HG       ARG  24   6.473   9.399  -0.926
  187    HG3  ARG  24          1HG       ARG  24   7.856   8.505  -0.307
  188    HD2  ARG  24          2HD       ARG  24   9.012   8.826  -2.429
  189    HD3  ARG  24          1HD       ARG  24   7.618   9.714  -3.056
  190    HE   ARG  24           HE       ARG  24   8.286  10.947  -0.714
  191   HH11  ARG  24          1HH1      ARG  24  10.039  10.289  -3.727
  192   HH12  ARG  24          2HH1      ARG  24  10.936  11.739  -3.671
  193   HH21  ARG  24          1HH2      ARG  24   9.536  12.960  -0.675
  194   HH22  ARG  24          2HH2      ARG  24  10.664  13.241  -1.920
  195    H    CYS  25           H        CYS  25   3.660   6.668  -1.833
  196    HA   CYS  25           HA       CYS  25   1.897   7.418   0.082
  197    HB2  CYS  25          2HB       CYS  25   3.078   9.754  -0.340
  198    HB3  CYS  25          1HB       CYS  25   2.301   9.663  -1.914
  Start of MODEL   13
    1    H1   CYS   1          1HT       CYS   1  -5.112  -4.587   5.531
    2    H2   CYS   1          2HT       CYS   1  -4.050  -5.900   5.602
    3    H3   CYS   1          3HT       CYS   1  -4.598  -5.299   4.109
    4    HA   CYS   1           HA       CYS   1  -2.990  -3.799   6.009
    5    HB2  CYS   1          2HB       CYS   1  -2.180  -5.215   3.462
    6    HB3  CYS   1          1HB       CYS   1  -1.160  -4.095   4.339
    7    H    SER   2           H        SER   2  -3.976  -1.882   5.884
    8    HA   SER   2           HA       SER   2  -4.054  -0.636   3.242
    9    HB2  SER   2          2HB       SER   2  -5.840  -0.065   5.616
   10    HB3  SER   2          1HB       SER   2  -5.917   0.723   4.044
   11    HG   SER   2           HG       SER   2  -6.132  -2.077   4.249
   12    H    TYR   3           H        TYR   3  -3.353   1.468   3.173
   13    HA   TYR   3           HA       TYR   3  -1.782   2.445   5.457
   14    HB2  TYR   3          2HB       TYR   3  -0.236   1.611   3.821
   15    HB3  TYR   3          1HB       TYR   3  -1.169   2.277   2.496
   16    HD1  TYR   3          1HD       TYR   3  -0.480   4.245   1.524
   17    HD2  TYR   3          2HD       TYR   3   0.838   3.357   5.470
   18    HE1  TYR   3          1HE       TYR   3   0.948   6.202   1.468
   19    HE2  TYR   3          2HE       TYR   3   2.280   5.339   5.426
   20    HH   TYR   3           HH       TYR   3   2.038   7.766   3.136
   21    H    THR   4           H        THR   4  -1.657   4.884   5.434
   22    HA   THR   4           HA       THR   4  -3.826   5.990   3.843
   23    HB   THR   4           HB       THR   4  -3.124   6.800   6.678
   24    HG1  THR   4          1HG       THR   4  -4.390   5.104   7.019
   25   HG21  THR   4          1HG2      THR   4  -3.939   8.692   5.313
   26   HG22  THR   4          2HG2      THR   4  -5.123   8.229   6.535
   27   HG23  THR   4          3HG2      THR   4  -5.355   7.745   4.853
   28    H    CYS   5           H        CYS   5  -3.196   7.401   2.457
   29    HA   CYS   5           HA       CYS   5  -0.627   8.728   2.853
   30    HB2  CYS   5          2HB       CYS   5  -0.861   7.296   0.811
   31    HB3  CYS   5          1HB       CYS   5  -2.191   8.327   0.291
   32    HA   DPR   6           HA       DPR   6  -2.575  12.769   2.508
   33    HB2  DPR   6          1HB       DPR   6  -1.896  12.753   5.408
   34    HB3  DPR   6          2HB       DPR   6  -1.503  13.977   4.189
   35    HG2  DPR   6          1HG       DPR   6   0.375  12.353   5.136
   36    HG3  DPR   6          2HG       DPR   6   0.336  12.778   3.413
   37    HD2  DPR   6          1HD       DPR   6  -0.548  10.263   4.768
   38    HD3  DPR   6          2HD       DPR   6   0.312  10.488   3.228
   39    HA   PRO   7           HA       PRO   7  -6.207  11.932   5.084
   40    HB2  PRO   7          2HB       PRO   7  -8.034  13.067   3.517
   41    HB3  PRO   7          1HB       PRO   7  -6.869  14.047   4.412
   42    HG2  PRO   7          2HG       PRO   7  -6.969  13.428   1.510
   43    HG3  PRO   7          1HG       PRO   7  -6.313  14.850   2.334
   44    HD2  PRO   7          2HD       PRO   7  -4.875  12.571   1.373
   45    HD3  PRO   7          1HD       PRO   7  -4.238  13.949   2.289
   46    H    GLN   8           H        GLN   8  -5.258  10.478   2.207
   47    HA   GLN   8           HA       GLN   8  -7.823   9.135   1.812
   48    HB2  GLN   8          2HB       GLN   8  -5.482   9.424  -0.064
   49    HB3  GLN   8          1HB       GLN   8  -6.955   8.534  -0.420
   50    HG2  GLN   8          2HG       GLN   8  -6.745  11.493   0.108
   51    HG3  GLN   8          1HG       GLN   8  -6.997  10.729  -1.460
   52   HE21  GLN   8          1HE2      GLN   8  -8.995   9.809  -1.903
   53   HE22  GLN   8          2HE2      GLN   8 -10.409  10.178  -0.980
   54    H    THR   9           H        THR   9  -8.009   7.031   2.117
   55    HA   THR   9           HA       THR   9  -5.683   5.636   3.161
   56    HB   THR   9           HB       THR   9  -8.604   4.820   3.159
   57    HG1  THR   9          1HG       THR   9  -7.008   5.851   5.281
   58   HG21  THR   9          1HG2      THR   9  -6.235   3.754   4.729
   59   HG22  THR   9          2HG2      THR   9  -7.018   2.926   3.386
   60   HG23  THR   9          3HG2      THR   9  -7.904   3.206   4.886
   61    H    TYR  10           H        TYR  10  -4.510   4.712   1.965
   62    HA   TYR  10           HA       TYR  10  -5.127   3.710  -0.660
   63    HB2  TYR  10          2HB       TYR  10  -3.049   4.909  -0.148
   64    HB3  TYR  10          1HB       TYR  10  -2.666   3.715   1.083
   65    HD1  TYR  10          1HD       TYR  10  -1.807   1.605   0.495
   66    HD2  TYR  10          2HD       TYR  10  -2.887   4.375  -2.479
   67    HE1  TYR  10          1HE       TYR  10  -0.566   0.262  -1.150
   68    HE2  TYR  10          2HE       TYR  10  -1.684   3.075  -4.175
   69    HH   TYR  10           HH       TYR  10   0.398   1.386  -4.022
   70    H    THR  11           H        THR  11  -6.387   1.975  -0.434
   71    HA   THR  11           HA       THR  11  -5.772  -0.083   1.493
   72    HB   THR  11           HB       THR  11  -7.886  -1.090   0.411
   73    HG1  THR  11          1HG       THR  11  -8.440  -0.038  -1.322
   74   HG21  THR  11          1HG2      THR  11  -9.362   0.406   1.687
   75   HG22  THR  11          2HG2      THR  11  -8.068   1.600   1.785
   76   HG23  THR  11          3HG2      THR  11  -7.897   0.045   2.600
   77    H    PHE  12           H        PHE  12  -5.139  -2.199   0.875
   78    HA   PHE  12           HA       PHE  12  -4.479  -2.470  -1.955
   79    HB2  PHE  12          2HB       PHE  12  -2.510  -2.041  -0.171
   80    HB3  PHE  12          1HB       PHE  12  -2.765  -3.754   0.105
   81    HD1  PHE  12          1HD       PHE  12  -2.172  -5.407  -1.492
   82    HD2  PHE  12          2HD       PHE  12  -1.697  -1.284  -2.365
   83    HE1  PHE  12          1HE       PHE  12  -0.805  -5.985  -3.451
   84    HE2  PHE  12          2HE       PHE  12  -0.315  -1.847  -4.316
   85    HZ   PHE  12           HZ       PHE  12   0.133  -4.205  -4.862
   86    HA   PRO  13           HA       PRO  13  -6.976  -6.137  -1.536
   87    HB2  PRO  13          2HB       PRO  13  -5.890  -7.520  -3.678
   88    HB3  PRO  13          1HB       PRO  13  -7.160  -6.297  -3.797
   89    HG2  PRO  13          2HG       PRO  13  -4.214  -6.009  -4.209
   90    HG3  PRO  13          1HG       PRO  13  -5.541  -5.320  -5.161
   91    HD2  PRO  13          2HD       PRO  13  -4.182  -3.857  -3.424
   92    HD3  PRO  13          1HD       PRO  13  -5.938  -3.650  -3.597
   93    H    THR  14           H        THR  14  -3.612  -7.016  -2.488
   94    HA   THR  14           HA       THR  14  -3.795  -9.219  -0.589
   95    HB   THR  14           HB       THR  14  -1.823 -10.117  -1.964
   96    HG1  THR  14          1HG       THR  14  -1.742  -9.304  -4.085
   97   HG21  THR  14          1HG2      THR  14  -3.313 -11.027  -3.687
   98   HG22  THR  14          2HG2      THR  14  -4.507  -9.788  -3.297
   99   HG23  THR  14          3HG2      THR  14  -4.099 -11.021  -2.107
  100    H    CYS  15           H        CYS  15  -2.657  -9.042   1.215
  101    HA   CYS  15           HA       CYS  15  -0.946  -6.802   1.579
  102    HB2  CYS  15          2HB       CYS  15  -2.324  -7.730   3.412
  103    HB3  CYS  15          1HB       CYS  15  -1.318  -9.176   3.406
  104    H    GLU  16           H        GLU  16  -0.490 -10.031   0.611
  105    HA   GLU  16           HA       GLU  16   2.202 -10.492   1.263
  106    HB2  GLU  16          2HB       GLU  16   0.636 -11.485  -1.136
  107    HB3  GLU  16          1HB       GLU  16   2.152 -12.150  -0.568
  108    HG2  GLU  16          2HG       GLU  16   0.290 -13.571   0.050
  109    HG3  GLU  16          1HG       GLU  16   1.044 -12.900   1.493
  110    H    GLU  17           H        GLU  17   0.607  -8.972  -1.439
  111    HA   GLU  17           HA       GLU  17   3.133  -8.421  -2.691
  112    HB2  GLU  17          2HB       GLU  17   1.291  -9.110  -4.132
  113    HB3  GLU  17          1HB       GLU  17   0.316  -7.762  -3.579
  114    HG2  GLU  17          2HG       GLU  17   1.795  -6.191  -4.631
  115    HG3  GLU  17          1HG       GLU  17   2.928  -7.473  -5.041
  116    H    ALA  18           H        ALA  18   0.743  -6.793  -0.748
  117    HA   ALA  18           HA       ALA  18   1.362  -4.119  -1.235
  118    HB1  ALA  18          1HB       ALA  18   0.600  -5.331   1.416
  119    HB2  ALA  18          2HB       ALA  18  -0.532  -4.858   0.147
  120    HB3  ALA  18          3HB       ALA  18   0.443  -3.634   0.964
  121    H    LYS  19           H        LYS  19   2.998  -6.428   0.805
  122    HA   LYS  19           HA       LYS  19   4.781  -4.438   1.833
  123    HB2  LYS  19          2HB       LYS  19   5.919  -6.333   2.961
  124    HB3  LYS  19          1HB       LYS  19   4.208  -6.165   3.319
  125    HG2  LYS  19          2HG       LYS  19   3.741  -7.941   1.670
  126    HG3  LYS  19          1HG       LYS  19   5.479  -8.149   1.463
  127    HD2  LYS  19          2HD       LYS  19   4.568  -9.765   2.944
  128    HD3  LYS  19          1HD       LYS  19   5.696  -8.732   3.823
  129    HE2  LYS  19          2HE       LYS  19   3.795  -7.486   4.783
  130    HE3  LYS  19          1HE       LYS  19   2.668  -8.481   3.862
  131    HZ1  LYS  19          1HZ       LYS  19   4.516  -9.483   5.967
  132    HZ2  LYS  19          2HZ       LYS  19   3.372 -10.397   5.144
  133    HZ3  LYS  19          3HZ       LYS  19   2.882  -9.160   6.192
  134    H    LYS  20           H        LYS  20   4.652  -5.953  -1.061
  135    HA   LYS  20           HA       LYS  20   7.560  -5.787  -1.443
  136    HB2  LYS  20          2HB       LYS  20   6.589  -8.002  -1.996
  137    HB3  LYS  20          1HB       LYS  20   5.491  -7.234  -3.130
  138    HG2  LYS  20          2HG       LYS  20   7.338  -8.299  -4.285
  139    HG3  LYS  20          1HG       LYS  20   7.385  -6.552  -4.514
  140    HD2  LYS  20          2HD       LYS  20   9.095  -6.407  -2.717
  141    HD3  LYS  20          1HD       LYS  20   9.074  -8.166  -2.595
  142    HE2  LYS  20          2HE       LYS  20   9.782  -8.313  -4.952
  143    HE3  LYS  20          1HE       LYS  20   9.819  -6.558  -5.035
  144    HZ1  LYS  20          1HZ       LYS  20  12.018  -7.435  -4.674
  145    HZ2  LYS  20          2HZ       LYS  20  11.552  -8.244  -3.293
  146    HZ3  LYS  20          3HZ       LYS  20  11.568  -6.572  -3.317
  147    H    MET  21           H        MET  21   4.436  -4.992  -2.897
  148    HA   MET  21           HA       MET  21   5.593  -2.997  -4.599
  149    HB2  MET  21          2HB       MET  21   3.634  -4.241  -5.407
  150    HB3  MET  21          1HB       MET  21   2.715  -3.756  -4.002
  151    HG2  MET  21          2HG       MET  21   1.905  -2.481  -5.828
  152    HG3  MET  21          1HG       MET  21   2.846  -1.389  -4.835
  153    HE1  MET  21          1HE       MET  21   5.847  -0.437  -7.130
  154    HE2  MET  21          2HE       MET  21   5.879  -1.487  -5.728
  155    HE3  MET  21          3HE       MET  21   4.905  -0.015  -5.705
  156    H    LYS  22           H        LYS  22   6.574  -1.910  -2.992
  157    HA   LYS  22           HA       LYS  22   5.416  -0.907  -0.692
  158    HB2  LYS  22          2HB       LYS  22   7.446   0.645  -0.685
  159    HB3  LYS  22          1HB       LYS  22   7.701  -1.091  -0.604
  160    HG2  LYS  22          2HG       LYS  22   8.166  -1.071  -3.048
  161    HG3  LYS  22          1HG       LYS  22   8.053   0.689  -3.004
  162    HD2  LYS  22          2HD       LYS  22   9.894   0.814  -1.478
  163    HD3  LYS  22          1HD       LYS  22   9.918  -0.944  -1.309
  164    HE2  LYS  22          2HE       LYS  22  10.450  -1.131  -3.700
  165    HE3  LYS  22          1HE       LYS  22  10.510   0.627  -3.808
  166    HZ1  LYS  22          1HZ       LYS  22  12.687  -0.399  -3.576
  167    HZ2  LYS  22          2HZ       LYS  22  12.265  -1.010  -2.053
  168    HZ3  LYS  22          3HZ       LYS  22  12.357   0.655  -2.316
  169    H    LYS  23           H        LYS  23   5.380   1.386  -0.068
  170    HA   LYS  23           HA       LYS  23   3.154   2.419  -1.420
  171    HB2  LYS  23          2HB       LYS  23   3.100   4.150   0.246
  172    HB3  LYS  23          1HB       LYS  23   3.430   2.600   0.996
  173    HG2  LYS  23          2HG       LYS  23   5.787   3.194   1.222
  174    HG3  LYS  23          1HG       LYS  23   5.484   4.728   0.403
  175    HD2  LYS  23          2HD       LYS  23   3.865   5.308   2.187
  176    HD3  LYS  23          1HD       LYS  23   4.303   3.827   3.027
  177    HE2  LYS  23          2HE       LYS  23   6.608   4.629   3.221
  178    HE3  LYS  23          1HE       LYS  23   6.163   6.107   2.370
  179    HZ1  LYS  23          1HZ       LYS  23   4.586   6.595   4.204
  180    HZ2  LYS  23          2HZ       LYS  23   6.172   6.489   4.728
  181    HZ3  LYS  23          3HZ       LYS  23   5.128   5.220   5.013
  182    H    ARG  24           H        ARG  24   2.820   4.502  -2.120
  183    HA   ARG  24           HA       ARG  24   5.060   6.026  -3.138
  184    HB2  ARG  24          2HB       ARG  24   4.361   4.686  -5.041
  185    HB3  ARG  24          1HB       ARG  24   2.677   5.020  -4.717
  186    HG2  ARG  24          2HG       ARG  24   3.558   6.185  -6.704
  187    HG3  ARG  24          1HG       ARG  24   2.910   7.277  -5.491
  188    HD2  ARG  24          2HD       ARG  24   5.847   6.681  -5.557
  189    HD3  ARG  24          1HD       ARG  24   5.159   7.826  -6.704
  190    HE   ARG  24           HE       ARG  24   4.197   8.682  -4.342
  191   HH11  ARG  24          1HH1      ARG  24   7.456   8.053  -5.511
  192   HH12  ARG  24          2HH1      ARG  24   8.207   9.195  -4.498
  193   HH21  ARG  24          1HH2      ARG  24   5.224  10.310  -2.944
  194   HH22  ARG  24          2HH2      ARG  24   6.910  10.504  -3.040
  195    H    CYS  25           H        CYS  25   4.716   7.499  -1.578
  196    HA   CYS  25           HA       CYS  25   2.170   8.910  -1.674
  197    HB2  CYS  25          2HB       CYS  25   2.096   7.230   0.134
  198    HB3  CYS  25          1HB       CYS  25   3.519   7.965   0.859
  Start of MODEL   14
    1    H1   CYS   1          1HT       CYS   1  -4.822  -5.765   4.084
    2    H2   CYS   1          2HT       CYS   1  -5.036  -5.138   5.630
    3    H3   CYS   1          3HT       CYS   1  -3.907  -6.352   5.388
    4    HA   CYS   1           HA       CYS   1  -2.891  -4.215   5.665
    5    HB2  CYS   1          2HB       CYS   1  -2.648  -5.473   2.944
    6    HB3  CYS   1          1HB       CYS   1  -1.680  -4.097   3.414
    7    H    SER   2           H        SER   2  -3.599  -2.227   5.837
    8    HA   SER   2           HA       SER   2  -4.355  -0.867   3.404
    9    HB2  SER   2          2HB       SER   2  -6.403  -1.266   4.657
   10    HB3  SER   2          1HB       SER   2  -5.712  -0.530   6.112
   11    HG   SER   2           HG       SER   2  -6.778   0.582   3.803
   12    H    TYR   3           H        TYR   3  -3.736   1.238   3.408
   13    HA   TYR   3           HA       TYR   3  -1.757   2.034   5.401
   14    HB2  TYR   3          2HB       TYR   3  -0.409   1.100   3.700
   15    HB3  TYR   3          1HB       TYR   3  -1.379   1.822   2.418
   16    HD1  TYR   3          1HD       TYR   3  -0.681   3.795   1.438
   17    HD2  TYR   3          2HD       TYR   3   0.906   2.727   5.238
   18    HE1  TYR   3          1HE       TYR   3   0.822   5.694   1.323
   19    HE2  TYR   3          2HE       TYR   3   2.429   4.643   5.139
   20    HH   TYR   3           HH       TYR   3   2.012   7.133   2.999
   21    H    THR   4           H        THR   4  -1.651   4.179   5.752
   22    HA   THR   4           HA       THR   4  -3.725   5.787   4.474
   23    HB   THR   4           HB       THR   4  -2.241   6.379   7.045
   24    HG1  THR   4          1HG       THR   4  -4.105   4.554   6.455
   25   HG21  THR   4          1HG2      THR   4  -4.141   7.886   7.465
   26   HG22  THR   4          2HG2      THR   4  -4.852   7.429   5.919
   27   HG23  THR   4          3HG2      THR   4  -3.332   8.321   5.959
   28    H    CYS   5           H        CYS   5  -3.175   7.198   3.042
   29    HA   CYS   5           HA       CYS   5  -0.427   8.220   2.995
   30    HB2  CYS   5          2HB       CYS   5  -1.016   6.713   1.090
   31    HB3  CYS   5          1HB       CYS   5  -2.343   7.786   0.689
   32    HA   DPR   6           HA       DPR   6  -1.999  12.421   3.091
   33    HB2  DPR   6          1HB       DPR   6  -2.110  11.768   6.005
   34    HB3  DPR   6          2HB       DPR   6  -1.455  13.221   5.227
   35    HG2  DPR   6          1HG       DPR   6   0.192  11.381   6.130
   36    HG3  DPR   6          2HG       DPR   6   0.473  12.080   4.523
   37    HD2  DPR   6          1HD       DPR   6  -0.691   9.419   5.258
   38    HD3  DPR   6          2HD       DPR   6   0.430   9.849   3.949
   39    HA   PRO   7           HA       PRO   7  -6.325  12.047   4.347
   40    HB2  PRO   7          2HB       PRO   7  -7.422  13.263   2.239
   41    HB3  PRO   7          1HB       PRO   7  -6.523  14.173   3.455
   42    HG2  PRO   7          2HG       PRO   7  -5.675  13.307   0.732
   43    HG3  PRO   7          1HG       PRO   7  -5.313  14.815   1.588
   44    HD2  PRO   7          2HD       PRO   7  -3.615  12.607   1.384
   45    HD3  PRO   7          1HD       PRO   7  -3.468  13.917   2.574
   46    H    GLN   8           H        GLN   8  -4.682  10.358   2.014
   47    HA   GLN   8           HA       GLN   8  -7.038   9.156   0.772
   48    HB2  GLN   8          2HB       GLN   8  -4.109   8.805   0.168
   49    HB3  GLN   8          1HB       GLN   8  -5.424   8.056  -0.717
   50    HG2  GLN   8          2HG       GLN   8  -6.181  10.230  -1.455
   51    HG3  GLN   8          1HG       GLN   8  -4.916  11.005  -0.498
   52   HE21  GLN   8          1HE2      GLN   8  -2.780  10.825  -1.155
   53   HE22  GLN   8          2HE2      GLN   8  -2.353  10.389  -2.761
   54    H    THR   9           H        THR   9  -7.526   7.056   1.048
   55    HA   THR   9           HA       THR   9  -5.885   5.516   2.934
   56    HB   THR   9           HB       THR   9  -8.788   5.048   2.176
   57    HG1  THR   9          1HG       THR   9  -8.708   6.986   3.283
   58   HG21  THR   9          1HG2      THR   9  -8.798   3.651   4.203
   59   HG22  THR   9          2HG2      THR   9  -7.106   4.049   4.483
   60   HG23  THR   9          3HG2      THR   9  -7.562   3.097   3.070
   61    H    TYR  10           H        TYR  10  -4.756   4.028   2.138
   62    HA   TYR  10           HA       TYR  10  -5.356   3.153  -0.579
   63    HB2  TYR  10          2HB       TYR  10  -3.269   4.484  -0.163
   64    HB3  TYR  10          1HB       TYR  10  -2.736   3.185   0.895
   65    HD1  TYR  10          1HD       TYR  10  -3.338   4.216  -2.489
   66    HD2  TYR  10          2HD       TYR  10  -2.024   1.081  -0.016
   67    HE1  TYR  10          1HE       TYR  10  -2.348   3.102  -4.478
   68    HE2  TYR  10          2HE       TYR  10  -1.019  -0.083  -1.958
   69    HH   TYR  10           HH       TYR  10  -0.445   1.388  -4.860
   70    H    THR  11           H        THR  11  -6.514   1.356  -0.171
   71    HA   THR  11           HA       THR  11  -5.338  -0.578   1.662
   72    HB   THR  11           HB       THR  11  -8.146  -0.526   0.485
   73    HG1  THR  11          1HG       THR  11  -8.386   0.968   1.920
   74   HG21  THR  11          1HG2      THR  11  -7.383  -2.779   1.152
   75   HG22  THR  11          2HG2      THR  11  -8.643  -2.193   2.238
   76   HG23  THR  11          3HG2      THR  11  -6.953  -2.161   2.745
   77    H    PHE  12           H        PHE  12  -4.838  -2.658   0.886
   78    HA   PHE  12           HA       PHE  12  -4.690  -2.730  -2.042
   79    HB2  PHE  12          2HB       PHE  12  -2.547  -2.258  -0.692
   80    HB3  PHE  12          1HB       PHE  12  -2.670  -3.921  -0.144
   81    HD1  PHE  12          1HD       PHE  12  -1.975  -5.715  -1.538
   82    HD2  PHE  12          2HD       PHE  12  -2.213  -1.763  -3.070
   83    HE1  PHE  12          1HE       PHE  12  -0.765  -6.427  -3.535
   84    HE2  PHE  12          2HE       PHE  12  -0.993  -2.462  -5.080
   85    HZ   PHE  12           HZ       PHE  12  -0.260  -4.805  -5.312
   86    HA   PRO  13           HA       PRO  13  -7.005  -6.531  -1.640
   87    HB2  PRO  13          2HB       PRO  13  -5.922  -7.850  -3.838
   88    HB3  PRO  13          1HB       PRO  13  -7.283  -6.728  -3.896
   89    HG2  PRO  13          2HG       PRO  13  -4.399  -6.250  -4.485
   90    HG3  PRO  13          1HG       PRO  13  -5.832  -5.601  -5.304
   91    HD2  PRO  13          2HD       PRO  13  -4.400  -4.118  -3.610
   92    HD3  PRO  13          1HD       PRO  13  -6.172  -3.989  -3.674
   93    H    THR  14           H        THR  14  -3.623  -7.178  -2.673
   94    HA   THR  14           HA       THR  14  -3.725  -9.483  -0.967
   95    HB   THR  14           HB       THR  14  -1.529 -10.065  -2.160
   96    HG1  THR  14          1HG       THR  14  -1.165  -9.036  -4.047
   97   HG21  THR  14          1HG2      THR  14  -4.080  -9.802  -3.751
   98   HG22  THR  14          2HG2      THR  14  -3.652 -11.140  -2.683
   99   HG23  THR  14          3HG2      THR  14  -2.725 -10.853  -4.157
  100    H    CYS  15           H        CYS  15  -3.165  -9.192   0.999
  101    HA   CYS  15           HA       CYS  15  -1.699  -6.997   2.035
  102    HB2  CYS  15          2HB       CYS  15  -3.463  -8.433   3.211
  103    HB3  CYS  15          1HB       CYS  15  -2.219  -9.645   3.380
  104    H    GLU  16           H        GLU  16  -0.811 -10.178   1.005
  105    HA   GLU  16           HA       GLU  16   1.754 -10.331   2.181
  106    HB2  GLU  16          2HB       GLU  16   1.047 -11.593  -0.455
  107    HB3  GLU  16          1HB       GLU  16   2.152 -12.178   0.772
  108    HG2  GLU  16          2HG       GLU  16   0.398 -13.621   1.029
  109    HG3  GLU  16          1HG       GLU  16  -0.016 -12.379   2.208
  110    H    GLU  17           H        GLU  17   0.545  -9.029  -0.834
  111    HA   GLU  17           HA       GLU  17   3.221  -8.441  -1.785
  112    HB2  GLU  17          2HB       GLU  17   0.546  -8.039  -3.088
  113    HB3  GLU  17          1HB       GLU  17   2.104  -7.744  -3.854
  114    HG2  GLU  17          2HG       GLU  17   2.670 -10.098  -3.616
  115    HG3  GLU  17          1HG       GLU  17   1.130 -10.390  -2.813
  116    H    ALA  18           H        ALA  18   0.694  -6.883  -0.151
  117    HA   ALA  18           HA       ALA  18   0.946  -4.226  -0.913
  118    HB1  ALA  18          1HB       ALA  18   0.004  -3.644   1.249
  119    HB2  ALA  18          2HB       ALA  18   0.399  -5.247   1.869
  120    HB3  ALA  18          3HB       ALA  18  -0.799  -5.070   0.589
  121    H    LYS  19           H        LYS  19   3.028  -6.109   1.120
  122    HA   LYS  19           HA       LYS  19   4.546  -3.834   2.037
  123    HB2  LYS  19          2HB       LYS  19   6.025  -5.507   3.077
  124    HB3  LYS  19          1HB       LYS  19   4.339  -5.761   3.498
  125    HG2  LYS  19          2HG       LYS  19   4.188  -7.559   1.860
  126    HG3  LYS  19          1HG       LYS  19   5.871  -7.290   1.411
  127    HD2  LYS  19          2HD       LYS  19   6.565  -7.858   3.682
  128    HD3  LYS  19          1HD       LYS  19   4.879  -8.118   4.132
  129    HE2  LYS  19          2HE       LYS  19   4.705  -9.920   2.497
  130    HE3  LYS  19          1HE       LYS  19   6.366  -9.631   1.990
  131    HZ1  LYS  19          1HZ       LYS  19   6.243 -11.489   3.506
  132    HZ2  LYS  19          2HZ       LYS  19   5.505 -10.503   4.677
  133    HZ3  LYS  19          3HZ       LYS  19   7.092 -10.206   4.211
  134    H    LYS  20           H        LYS  20   4.457  -5.615  -0.792
  135    HA   LYS  20           HA       LYS  20   7.291  -5.178  -1.386
  136    HB2  LYS  20          2HB       LYS  20   6.233  -7.423  -1.838
  137    HB3  LYS  20          1HB       LYS  20   5.202  -6.642  -3.022
  138    HG2  LYS  20          2HG       LYS  20   7.020  -7.756  -4.135
  139    HG3  LYS  20          1HG       LYS  20   7.219  -6.010  -4.311
  140    HD2  LYS  20          2HD       LYS  20   8.854  -6.008  -2.493
  141    HD3  LYS  20          1HD       LYS  20   8.626  -7.741  -2.276
  142    HE2  LYS  20          2HE       LYS  20   9.719  -6.374  -4.736
  143    HE3  LYS  20          1HE       LYS  20  10.658  -7.244  -3.534
  144    HZ1  LYS  20          1HZ       LYS  20   8.617  -8.441  -5.343
  145    HZ2  LYS  20          2HZ       LYS  20   9.447  -9.276  -4.145
  146    HZ3  LYS  20          3HZ       LYS  20  10.287  -8.611  -5.441
  147    H    MET  21           H        MET  21   4.033  -4.383  -2.353
  148    HA   MET  21           HA       MET  21   4.441  -2.871  -4.613
  149    HB2  MET  21          2HB       MET  21   2.231  -3.573  -3.931
  150    HB3  MET  21          1HB       MET  21   2.353  -2.645  -2.449
  151    HG2  MET  21          2HG       MET  21   0.908  -1.568  -4.116
  152    HG3  MET  21          1HG       MET  21   2.291  -0.572  -3.678
  153    HE1  MET  21          1HE       MET  21   0.797  -2.994  -6.406
  154    HE2  MET  21          2HE       MET  21   2.388  -3.699  -6.114
  155    HE3  MET  21          3HE       MET  21   2.038  -2.923  -7.656
  156    H    LYS  22           H        LYS  22   5.599  -1.224  -4.869
  157    HA   LYS  22           HA       LYS  22   6.564   0.419  -2.764
  158    HB2  LYS  22          2HB       LYS  22   6.662   0.860  -5.755
  159    HB3  LYS  22          1HB       LYS  22   7.555   1.792  -4.565
  160    HG2  LYS  22          2HG       LYS  22   8.769  -0.233  -3.895
  161    HG3  LYS  22          1HG       LYS  22   7.888  -1.153  -5.115
  162    HD2  LYS  22          2HD       LYS  22   8.820   0.298  -6.860
  163    HD3  LYS  22          1HD       LYS  22   9.708   1.193  -5.628
  164    HE2  LYS  22          2HE       LYS  22  10.048  -1.737  -6.278
  165    HE3  LYS  22          1HE       LYS  22  11.133  -0.441  -6.770
  166    HZ1  LYS  22          1HZ       LYS  22  11.995  -1.582  -4.867
  167    HZ2  LYS  22          2HZ       LYS  22  10.603  -1.339  -3.988
  168    HZ3  LYS  22          3HZ       LYS  22  11.583  -0.022  -4.403
  169    H    LYS  23           H        LYS  23   5.669   2.065  -1.890
  170    HA   LYS  23           HA       LYS  23   3.252   3.146  -3.098
  171    HB2  LYS  23          2HB       LYS  23   2.670   3.861  -0.765
  172    HB3  LYS  23          1HB       LYS  23   2.749   2.124  -0.993
  173    HG2  LYS  23          2HG       LYS  23   5.046   2.177  -0.005
  174    HG3  LYS  23          1HG       LYS  23   4.781   3.883   0.370
  175    HD2  LYS  23          2HD       LYS  23   2.833   3.288   1.720
  176    HD3  LYS  23          1HD       LYS  23   3.068   1.587   1.325
  177    HE2  LYS  23          2HE       LYS  23   4.965   3.347   2.874
  178    HE3  LYS  23          1HE       LYS  23   3.932   2.092   3.540
  179    HZ1  LYS  23          1HZ       LYS  23   6.217   1.680   1.676
  180    HZ2  LYS  23          2HZ       LYS  23   5.175   0.460   2.190
  181    HZ3  LYS  23          3HZ       LYS  23   6.142   1.269   3.309
  182    H    ARG  24           H        ARG  24   2.949   5.366  -3.099
  183    HA   ARG  24           HA       ARG  24   5.473   6.835  -2.930
  184    HB2  ARG  24          2HB       ARG  24   4.866   6.364  -5.238
  185    HB3  ARG  24          1HB       ARG  24   3.284   7.075  -4.981
  186    HG2  ARG  24          2HG       ARG  24   4.309   9.250  -4.624
  187    HG3  ARG  24          1HG       ARG  24   5.909   8.537  -4.870
  188    HD2  ARG  24          2HD       ARG  24   5.332   7.908  -7.111
  189    HD3  ARG  24          1HD       ARG  24   3.674   8.456  -6.875
  190    HE   ARG  24           HE       ARG  24   5.737  10.425  -6.493
  191   HH11  ARG  24          1HH1      ARG  24   3.447   8.943  -8.738
  192   HH12  ARG  24          2HH1      ARG  24   3.298  10.316  -9.736
  193   HH21  ARG  24          1HH2      ARG  24   5.562  12.320  -7.900
  194   HH22  ARG  24          2HH2      ARG  24   4.553  12.250  -9.271
  195    H    CYS  25           H        CYS  25   5.039   7.633  -0.949
  196    HA   CYS  25           HA       CYS  25   3.179   9.850  -0.857
  197    HB2  CYS  25          2HB       CYS  25   3.252   7.695   1.271
  198    HB3  CYS  25          1HB       CYS  25   2.269   9.152   1.298
  Start of MODEL   15
    1    H1   CYS   1          1HT       CYS   1  -2.404  -6.286   6.182
    2    H2   CYS   1          2HT       CYS   1  -3.854  -5.863   5.393
    3    H3   CYS   1          3HT       CYS   1  -3.266  -4.895   6.624
    4    HA   CYS   1           HA       CYS   1  -1.426  -4.234   5.376
    5    HB2  CYS   1          2HB       CYS   1  -2.525  -6.162   3.345
    6    HB3  CYS   1          1HB       CYS   1  -1.393  -4.883   2.935
    7    H    SER   2           H        SER   2  -2.368  -2.282   5.659
    8    HA   SER   2           HA       SER   2  -4.388  -1.507   3.697
    9    HB2  SER   2          2HB       SER   2  -5.261  -1.480   5.974
   10    HB3  SER   2          1HB       SER   2  -3.915  -0.475   6.521
   11    HG   SER   2           HG       SER   2  -6.181   0.179   4.983
   12    H    TYR   3           H        TYR   3  -4.168   0.820   3.107
   13    HA   TYR   3           HA       TYR   3  -1.342   1.587   3.109
   14    HB2  TYR   3          2HB       TYR   3  -1.939   0.513   0.931
   15    HB3  TYR   3          1HB       TYR   3  -3.199   1.715   0.699
   16    HD1  TYR   3          1HD       TYR   3   0.452   1.227   0.974
   17    HD2  TYR   3          2HD       TYR   3  -2.661   3.877  -0.202
   18    HE1  TYR   3          1HE       TYR   3   2.104   2.714  -0.036
   19    HE2  TYR   3          2HE       TYR   3  -1.029   5.360  -1.217
   20    HH   TYR   3           HH       TYR   3   1.493   5.823  -0.714
   21    H    THR   4           H        THR   4  -1.017   3.902   2.875
   22    HA   THR   4           HA       THR   4  -3.435   5.487   3.203
   23    HB   THR   4           HB       THR   4  -0.926   6.055   4.793
   24    HG1  THR   4          1HG       THR   4  -3.003   4.230   5.250
   25   HG21  THR   4          1HG2      THR   4  -2.563   7.878   4.503
   26   HG22  THR   4          2HG2      THR   4  -2.494   7.342   6.182
   27   HG23  THR   4          3HG2      THR   4  -3.829   6.836   5.149
   28    H    CYS   5           H        CYS   5  -3.440   7.051   1.771
   29    HA   CYS   5           HA       CYS   5  -0.943   7.875   0.466
   30    HB2  CYS   5          2HB       CYS   5  -2.526   6.730  -1.057
   31    HB3  CYS   5          1HB       CYS   5  -3.808   7.789  -0.532
   32    HA   DPR   6           HA       DPR   6  -1.718  12.099   1.709
   33    HB2  DPR   6          1HB       DPR   6  -0.060  11.233   4.016
   34    HB3  DPR   6          2HB       DPR   6   0.190  12.637   2.957
   35    HG2  DPR   6          1HG       DPR   6   1.758  10.527   2.761
   36    HG3  DPR   6          2HG       DPR   6   1.161  11.318   1.291
   37    HD2  DPR   6          1HD       DPR   6   0.225   8.796   2.604
   38    HD3  DPR   6          2HD       DPR   6   0.479   9.166   0.885
   39    HA   PRO   7           HA       PRO   7  -4.258  11.614   5.448
   40    HB2  PRO   7          2HB       PRO   7  -6.250  13.247   4.750
   41    HB3  PRO   7          1HB       PRO   7  -4.657  13.888   5.169
   42    HG2  PRO   7          2HG       PRO   7  -5.910  13.540   2.487
   43    HG3  PRO   7          1HG       PRO   7  -4.837  14.825   3.061
   44    HD2  PRO   7          2HD       PRO   7  -4.087  12.593   1.522
   45    HD3  PRO   7          1HD       PRO   7  -2.989  13.681   2.396
   46    H    GLN   8           H        GLN   8  -4.705  10.312   2.447
   47    HA   GLN   8           HA       GLN   8  -7.459   9.447   2.898
   48    HB2  GLN   8          2HB       GLN   8  -5.698   9.458   0.464
   49    HB3  GLN   8          1HB       GLN   8  -7.209   8.561   0.521
   50    HG2  GLN   8          2HG       GLN   8  -7.002  11.510   1.060
   51    HG3  GLN   8          1HG       GLN   8  -7.360  10.819  -0.525
   52   HE21  GLN   8          1HE2      GLN   8  -9.002  12.515   1.265
   53   HE22  GLN   8          2HE2      GLN   8 -10.453  11.613   1.499
   54    H    THR   9           H        THR   9  -7.844   7.527   3.723
   55    HA   THR   9           HA       THR   9  -5.749   5.557   3.944
   56    HB   THR   9           HB       THR   9  -8.686   5.249   4.625
   57    HG1  THR   9          1HG       THR   9  -8.306   6.204   6.533
   58   HG21  THR   9          1HG2      THR   9  -7.326   3.201   4.684
   59   HG22  THR   9          2HG2      THR   9  -7.817   3.666   6.314
   60   HG23  THR   9          3HG2      THR   9  -6.175   3.992   5.758
   61    H    TYR  10           H        TYR  10  -5.579   3.721   2.711
   62    HA   TYR  10           HA       TYR  10  -7.559   3.409   0.594
   63    HB2  TYR  10          2HB       TYR  10  -5.416   4.680  -0.061
   64    HB3  TYR  10          1HB       TYR  10  -4.586   3.152   0.164
   65    HD1  TYR  10          1HD       TYR  10  -7.507   4.580  -1.551
   66    HD2  TYR  10          2HD       TYR  10  -4.356   1.754  -1.673
   67    HE1  TYR  10          1HE       TYR  10  -8.154   3.990  -3.842
   68    HE2  TYR  10          2HE       TYR  10  -4.973   1.140  -3.967
   69    HH   TYR  10           HH       TYR  10  -7.152   3.024  -5.800
   70    H    THR  11           H        THR  11  -7.717   1.206  -0.160
   71    HA   THR  11           HA       THR  11  -6.641  -0.703   1.788
   72    HB   THR  11           HB       THR  11  -9.081  -0.965   0.012
   73    HG1  THR  11          1HG       THR  11  -9.903   0.329   1.425
   74   HG21  THR  11          1HG2      THR  11  -8.165  -2.567   2.414
   75   HG22  THR  11          2HG2      THR  11  -8.094  -3.112   0.737
   76   HG23  THR  11          3HG2      THR  11  -9.657  -2.834   1.510
   77    H    PHE  12           H        PHE  12  -5.165  -2.046   1.070
   78    HA   PHE  12           HA       PHE  12  -4.691  -2.112  -1.786
   79    HB2  PHE  12          2HB       PHE  12  -2.912  -1.847   0.171
   80    HB3  PHE  12          1HB       PHE  12  -3.023  -3.605   0.195
   81    HD1  PHE  12          1HD       PHE  12  -2.311  -4.922  -1.753
   82    HD2  PHE  12          2HD       PHE  12  -1.889  -0.709  -1.600
   83    HE1  PHE  12          1HE       PHE  12  -0.748  -5.026  -3.648
   84    HE2  PHE  12          2HE       PHE  12  -0.305  -0.792  -3.502
   85    HZ   PHE  12           HZ       PHE  12   0.261  -2.957  -4.524
   86    HA   PRO  13           HA       PRO  13  -7.098  -5.791  -2.179
   87    HB2  PRO  13          2HB       PRO  13  -5.725  -6.901  -4.338
   88    HB3  PRO  13          1HB       PRO  13  -7.049  -5.741  -4.447
   89    HG2  PRO  13          2HG       PRO  13  -4.105  -5.277  -4.578
   90    HG3  PRO  13          1HG       PRO  13  -5.406  -4.491  -5.491
   91    HD2  PRO  13          2HD       PRO  13  -4.199  -3.271  -3.445
   92    HD3  PRO  13          1HD       PRO  13  -5.941  -3.068  -3.733
   93    H    THR  14           H        THR  14  -3.637  -6.527  -2.820
   94    HA   THR  14           HA       THR  14  -3.979  -8.994  -1.339
   95    HB   THR  14           HB       THR  14  -1.756  -9.477  -2.591
   96    HG1  THR  14          1HG       THR  14  -1.684  -8.244  -4.570
   97   HG21  THR  14          1HG2      THR  14  -4.384  -9.212  -4.078
   98   HG22  THR  14          2HG2      THR  14  -3.901 -10.592  -3.091
   99   HG23  THR  14          3HG2      THR  14  -3.026 -10.220  -4.576
  100    H    CYS  15           H        CYS  15  -2.883  -9.324   0.495
  101    HA   CYS  15           HA       CYS  15  -1.486  -7.159   1.708
  102    HB2  CYS  15          2HB       CYS  15  -2.969  -8.773   2.939
  103    HB3  CYS  15          1HB       CYS  15  -1.773 -10.021   2.674
  104    H    GLU  16           H        GLU  16  -0.586 -10.083   0.061
  105    HA   GLU  16           HA       GLU  16   2.111 -10.371   0.690
  106    HB2  GLU  16          2HB       GLU  16   0.878 -11.960  -0.694
  107    HB3  GLU  16          1HB       GLU  16   0.689 -10.749  -1.952
  108    HG2  GLU  16          2HG       GLU  16   3.199 -10.713  -2.124
  109    HG3  GLU  16          1HG       GLU  16   3.202 -12.131  -1.078
  110    H    GLU  17           H        GLU  17   0.669  -8.630  -2.004
  111    HA   GLU  17           HA       GLU  17   3.077  -7.449  -2.867
  112    HB2  GLU  17          2HB       GLU  17   0.208  -6.917  -3.532
  113    HB3  GLU  17          1HB       GLU  17   1.563  -6.134  -4.345
  114    HG2  GLU  17          2HG       GLU  17   2.335  -8.190  -5.208
  115    HG3  GLU  17          1HG       GLU  17   1.232  -9.108  -4.183
  116    H    ALA  18           H        ALA  18   0.442  -6.380  -0.802
  117    HA   ALA  18           HA       ALA  18   1.070  -3.670  -0.666
  118    HB1  ALA  18          1HB       ALA  18  -0.131  -3.654   1.437
  119    HB2  ALA  18          2HB       ALA  18   0.002  -5.414   1.523
  120    HB3  ALA  18          3HB       ALA  18  -0.968  -4.663   0.254
  121    H    LYS  19           H        LYS  19   2.483  -6.414   1.011
  122    HA   LYS  19           HA       LYS  19   4.091  -4.762   2.722
  123    HB2  LYS  19          2HB       LYS  19   4.250  -7.711   2.118
  124    HB3  LYS  19          1HB       LYS  19   5.236  -6.891   3.321
  125    HG2  LYS  19          2HG       LYS  19   3.173  -6.246   4.520
  126    HG3  LYS  19          1HG       LYS  19   2.236  -7.162   3.343
  127    HD2  LYS  19          2HD       LYS  19   4.369  -8.299   5.150
  128    HD3  LYS  19          1HD       LYS  19   2.633  -8.416   5.433
  129    HE2  LYS  19          2HE       LYS  19   2.388  -9.700   3.354
  130    HE3  LYS  19          1HE       LYS  19   4.120  -9.568   3.065
  131    HZ1  LYS  19          1HZ       LYS  19   2.876 -10.939   5.394
  132    HZ2  LYS  19          2HZ       LYS  19   4.530 -10.821   5.077
  133    HZ3  LYS  19          3HZ       LYS  19   3.543 -11.692   4.042
  134    H    LYS  20           H        LYS  20   4.300  -5.791  -0.470
  135    HA   LYS  20           HA       LYS  20   7.202  -5.597  -0.588
  136    HB2  LYS  20          2HB       LYS  20   6.134  -7.421  -1.802
  137    HB3  LYS  20          1HB       LYS  20   5.096  -6.289  -2.644
  138    HG2  LYS  20          2HG       LYS  20   6.832  -7.070  -4.114
  139    HG3  LYS  20          1HG       LYS  20   7.058  -5.354  -3.777
  140    HD2  LYS  20          2HD       LYS  20   8.795  -5.897  -2.150
  141    HD3  LYS  20          1HD       LYS  20   8.544  -7.618  -2.452
  142    HE2  LYS  20          2HE       LYS  20   9.452  -5.583  -4.488
  143    HE3  LYS  20          1HE       LYS  20  10.491  -6.750  -3.674
  144    HZ1  LYS  20          1HZ       LYS  20   9.898  -7.521  -5.857
  145    HZ2  LYS  20          2HZ       LYS  20   8.257  -7.405  -5.544
  146    HZ3  LYS  20          3HZ       LYS  20   9.205  -8.532  -4.715
  147    H    MET  21           H        MET  21   4.300  -3.929  -1.479
  148    HA   MET  21           HA       MET  21   5.523  -2.019  -3.184
  149    HB2  MET  21          2HB       MET  21   3.205  -2.669  -3.499
  150    HB3  MET  21          1HB       MET  21   2.795  -2.066  -1.904
  151    HG2  MET  21          2HG       MET  21   2.088  -0.522  -3.645
  152    HG3  MET  21          1HG       MET  21   3.308   0.203  -2.602
  153    HE1  MET  21          1HE       MET  21   3.974   1.805  -6.128
  154    HE2  MET  21          2HE       MET  21   3.586   2.118  -4.437
  155    HE3  MET  21          3HE       MET  21   2.407   1.324  -5.480
  156    H    LYS  22           H        LYS  22   6.901  -0.704  -2.405
  157    HA   LYS  22           HA       LYS  22   6.783   0.533   0.164
  158    HB2  LYS  22          2HB       LYS  22   8.440   1.092  -2.323
  159    HB3  LYS  22          1HB       LYS  22   8.670   1.915  -0.784
  160    HG2  LYS  22          2HG       LYS  22   9.261  -0.119   0.318
  161    HG3  LYS  22          1HG       LYS  22   8.821  -1.063  -1.095
  162    HD2  LYS  22          2HD       LYS  22  10.997   0.989  -1.290
  163    HD3  LYS  22          1HD       LYS  22  11.331  -0.569  -0.550
  164    HE2  LYS  22          2HE       LYS  22  11.969  -0.738  -2.832
  165    HE3  LYS  22          1HE       LYS  22  10.485  -1.650  -2.649
  166    HZ1  LYS  22          1HZ       LYS  22   9.279   0.219  -3.658
  167    HZ2  LYS  22          2HZ       LYS  22  10.477  -0.377  -4.655
  168    HZ3  LYS  22          3HZ       LYS  22  10.736   1.069  -3.825
  169    H    LYS  23           H        LYS  23   6.237   2.805   0.524
  170    HA   LYS  23           HA       LYS  23   3.911   3.262  -1.002
  171    HB2  LYS  23          2HB       LYS  23   3.230   4.900   0.582
  172    HB3  LYS  23          1HB       LYS  23   4.002   3.622   1.477
  173    HG2  LYS  23          2HG       LYS  23   4.721   5.555   2.547
  174    HG3  LYS  23          1HG       LYS  23   6.071   5.201   1.466
  175    HD2  LYS  23          2HD       LYS  23   5.351   6.826  -0.106
  176    HD3  LYS  23          1HD       LYS  23   3.816   7.039   0.727
  177    HE2  LYS  23          2HE       LYS  23   5.046   7.959   2.658
  178    HE3  LYS  23          1HE       LYS  23   6.544   7.823   1.731
  179    HZ1  LYS  23          1HZ       LYS  23   5.752   9.403   0.165
  180    HZ2  LYS  23          2HZ       LYS  23   5.375  10.065   1.669
  181    HZ3  LYS  23          3HZ       LYS  23   4.191   9.299   0.743
  182    H    ARG  24           H        ARG  24   3.448   4.492  -2.551
  183    HA   ARG  24           HA       ARG  24   5.605   6.119  -3.694
  184    HB2  ARG  24          2HB       ARG  24   4.731   4.314  -5.115
  185    HB3  ARG  24          1HB       ARG  24   3.112   4.966  -4.971
  186    HG2  ARG  24          2HG       ARG  24   3.699   6.887  -6.261
  187    HG3  ARG  24          1HG       ARG  24   5.406   6.440  -6.243
  188    HD2  ARG  24          2HD       ARG  24   4.326   5.888  -8.376
  189    HD3  ARG  24          1HD       ARG  24   4.931   4.460  -7.549
  190    HE   ARG  24           HE       ARG  24   2.243   4.803  -6.849
  191   HH11  ARG  24          1HH1      ARG  24   4.147   4.040  -9.715
  192   HH12  ARG  24          2HH1      ARG  24   2.970   3.053 -10.437
  193   HH21  ARG  24          1HH2      ARG  24   0.572   3.465  -7.841
  194   HH22  ARG  24          2HH2      ARG  24   0.851   2.745  -9.344
  195    H    CYS  25           H        CYS  25   2.554   6.253  -2.235
  196    HA   CYS  25           HA       CYS  25   2.449   9.126  -2.656
  197    HB2  CYS  25          2HB       CYS  25   0.443   8.053  -3.629
  198    HB3  CYS  25          1HB       CYS  25   0.175   7.177  -2.122
  Start of MODEL   16
    1    H1   CYS   1          1HT       CYS   1  -5.195  -6.697   5.029
    2    H2   CYS   1          2HT       CYS   1  -5.536  -5.852   3.573
    3    H3   CYS   1          3HT       CYS   1  -6.221  -5.360   5.026
    4    HA   CYS   1           HA       CYS   1  -4.253  -4.678   5.913
    5    HB2  CYS   1          2HB       CYS   1  -2.973  -5.823   3.417
    6    HB3  CYS   1          1HB       CYS   1  -2.137  -4.813   4.570
    7    H    SER   2           H        SER   2  -3.710  -2.577   5.714
    8    HA   SER   2           HA       SER   2  -4.793  -1.260   3.348
    9    HB2  SER   2          2HB       SER   2  -4.900  -0.304   6.212
   10    HB3  SER   2          1HB       SER   2  -5.565   0.531   4.808
   11    HG   SER   2           HG       SER   2  -7.269  -0.540   5.482
   12    H    TYR   3           H        TYR   3  -3.783   0.547   2.701
   13    HA   TYR   3           HA       TYR   3  -1.068   1.064   3.680
   14    HB2  TYR   3          2HB       TYR   3  -0.971   0.073   1.458
   15    HB3  TYR   3          1HB       TYR   3  -2.284   1.089   0.893
   16    HD1  TYR   3          1HD       TYR   3   1.268   1.194   2.021
   17    HD2  TYR   3          2HD       TYR   3  -1.829   3.124  -0.157
   18    HE1  TYR   3          1HE       TYR   3   2.887   2.821   1.175
   19    HE2  TYR   3          2HE       TYR   3  -0.260   4.743  -1.010
   20    HH   TYR   3           HH       TYR   3   2.001   5.690  -0.157
   21    H    THR   4           H        THR   4  -0.519   3.468   3.386
   22    HA   THR   4           HA       THR   4  -2.976   5.046   3.465
   23    HB   THR   4           HB       THR   4  -0.450   5.634   5.024
   24    HG1  THR   4          1HG       THR   4  -1.945   3.688   5.464
   25   HG21  THR   4          1HG2      THR   4  -3.279   6.695   5.244
   26   HG22  THR   4          2HG2      THR   4  -1.912   7.569   4.554
   27   HG23  THR   4          3HG2      THR   4  -1.922   7.162   6.269
   28    H    CYS   5           H        CYS   5  -3.048   6.419   1.841
   29    HA   CYS   5           HA       CYS   5  -0.548   7.237   0.554
   30    HB2  CYS   5          2HB       CYS   5  -2.166   6.119  -0.949
   31    HB3  CYS   5          1HB       CYS   5  -3.405   7.273  -0.479
   32    HA   DPR   6           HA       DPR   6  -1.143  11.513   1.707
   33    HB2  DPR   6          1HB       DPR   6   0.272  10.549   4.133
   34    HB3  DPR   6          2HB       DPR   6   0.644  11.961   3.123
   35    HG2  DPR   6          1HG       DPR   6   2.145   9.782   2.995
   36    HG3  DPR   6          2HG       DPR   6   1.703  10.653   1.517
   37    HD2  DPR   6          1HD       DPR   6   0.619   8.104   2.607
   38    HD3  DPR   6          2HD       DPR   6   0.929   8.589   0.928
   39    HA   PRO   7           HA       PRO   7  -4.016  11.247   5.204
   40    HB2  PRO   7          2HB       PRO   7  -5.917  12.831   4.259
   41    HB3  PRO   7          1HB       PRO   7  -4.327  13.490   4.664
   42    HG2  PRO   7          2HG       PRO   7  -5.470  12.829   1.980
   43    HG3  PRO   7          1HG       PRO   7  -4.466  14.206   2.462
   44    HD2  PRO   7          2HD       PRO   7  -3.548  11.859   1.227
   45    HD3  PRO   7          1HD       PRO   7  -2.542  13.050   2.075
   46    H    GLN   8           H        GLN   8  -4.277   9.775   2.233
   47    HA   GLN   8           HA       GLN   8  -7.067   8.996   2.495
   48    HB2  GLN   8          2HB       GLN   8  -5.055   8.582   0.290
   49    HB3  GLN   8          1HB       GLN   8  -6.680   7.910   0.267
   50    HG2  GLN   8          2HG       GLN   8  -6.023  10.843   0.427
   51    HG3  GLN   8          1HG       GLN   8  -6.476   9.983  -1.044
   52   HE21  GLN   8          1HE2      GLN   8  -7.802  12.198   0.351
   53   HE22  GLN   8          2HE2      GLN   8  -9.394  11.630   0.692
   54    H    THR   9           H        THR   9  -7.640   7.142   3.365
   55    HA   THR   9           HA       THR   9  -5.646   5.120   3.957
   56    HB   THR   9           HB       THR   9  -8.652   5.080   4.432
   57    HG1  THR   9          1HG       THR   9  -6.717   5.761   6.398
   58   HG21  THR   9          1HG2      THR   9  -6.377   3.598   5.779
   59   HG22  THR   9          2HG2      THR   9  -7.511   2.902   4.621
   60   HG23  THR   9          3HG2      THR   9  -8.086   3.455   6.194
   61    H    TYR  10           H        TYR  10  -5.173   3.558   2.656
   62    HA   TYR  10           HA       TYR  10  -6.912   3.203   0.339
   63    HB2  TYR  10          2HB       TYR  10  -4.682   4.266  -0.029
   64    HB3  TYR  10          1HB       TYR  10  -3.925   2.818   0.598
   65    HD1  TYR  10          1HD       TYR  10  -6.344   3.876  -1.940
   66    HD2  TYR  10          2HD       TYR  10  -3.239   1.238  -0.891
   67    HE1  TYR  10          1HE       TYR  10  -6.358   2.974  -4.257
   68    HE2  TYR  10          2HE       TYR  10  -3.212   0.302  -3.172
   69    HH   TYR  10           HH       TYR  10  -4.622   0.125  -5.095
   70    H    THR  11           H        THR  11  -7.795   1.237   0.183
   71    HA   THR  11           HA       THR  11  -6.820  -0.864   1.919
   72    HB   THR  11           HB       THR  11  -8.861  -2.115   1.048
   73    HG1  THR  11          1HG       THR  11  -9.583   0.463   0.030
   74   HG21  THR  11          1HG2      THR  11 -10.429  -0.831   2.437
   75   HG22  THR  11          2HG2      THR  11  -9.312   0.538   2.410
   76   HG23  THR  11          3HG2      THR  11  -8.839  -0.971   3.191
   77    H    PHE  12           H        PHE  12  -5.631  -2.514   1.224
   78    HA   PHE  12           HA       PHE  12  -4.999  -2.432  -1.627
   79    HB2  PHE  12          2HB       PHE  12  -3.253  -2.131   0.370
   80    HB3  PHE  12          1HB       PHE  12  -3.311  -3.893   0.346
   81    HD1  PHE  12          1HD       PHE  12  -2.502  -5.136  -1.550
   82    HD2  PHE  12          2HD       PHE  12  -2.248  -0.912  -1.425
   83    HE1  PHE  12          1HE       PHE  12  -0.923  -5.179  -3.452
   84    HE2  PHE  12          2HE       PHE  12  -0.658  -0.934  -3.308
   85    HZ   PHE  12           HZ       PHE  12   0.002  -3.074  -4.323
   86    HA   PRO  13           HA       PRO  13  -7.084  -6.323  -2.226
   87    HB2  PRO  13          2HB       PRO  13  -5.388  -7.285  -4.237
   88    HB3  PRO  13          1HB       PRO  13  -6.810  -6.278  -4.493
   89    HG2  PRO  13          2HG       PRO  13  -3.937  -5.505  -4.363
   90    HG3  PRO  13          1HG       PRO  13  -5.233  -4.847  -5.375
   91    HD2  PRO  13          2HD       PRO  13  -4.312  -3.540  -3.237
   92    HD3  PRO  13          1HD       PRO  13  -6.032  -3.483  -3.673
   93    H    THR  14           H        THR  14  -3.559  -6.853  -2.697
   94    HA   THR  14           HA       THR  14  -3.786  -9.219  -1.033
   95    HB   THR  14           HB       THR  14  -1.493  -9.611  -2.213
   96    HG1  THR  14          1HG       THR  14  -1.495  -8.540  -4.282
   97   HG21  THR  14          1HG2      THR  14  -4.110  -9.715  -3.740
   98   HG22  THR  14          2HG2      THR  14  -3.527 -10.948  -2.621
   99   HG23  THR  14          3HG2      THR  14  -2.656 -10.636  -4.122
  100    H    CYS  15           H        CYS  15  -2.744  -9.271   0.856
  101    HA   CYS  15           HA       CYS  15  -1.585  -6.915   1.874
  102    HB2  CYS  15          2HB       CYS  15  -2.811  -8.601   3.238
  103    HB3  CYS  15          1HB       CYS  15  -1.414  -9.666   3.066
  104    H    GLU  16           H        GLU  16  -0.165  -9.869   0.582
  105    HA   GLU  16           HA       GLU  16   2.486  -9.448   1.390
  106    HB2  GLU  16          2HB       GLU  16   1.610 -11.544   0.422
  107    HB3  GLU  16          1HB       GLU  16   1.440 -10.726  -1.124
  108    HG2  GLU  16          2HG       GLU  16   3.878 -10.362  -1.124
  109    HG3  GLU  16          1HG       GLU  16   3.987 -11.368   0.324
  110    H    GLU  17           H        GLU  17   0.701  -8.363  -1.447
  111    HA   GLU  17           HA       GLU  17   2.959  -7.019  -2.566
  112    HB2  GLU  17          2HB       GLU  17   0.043  -7.016  -3.305
  113    HB3  GLU  17          1HB       GLU  17   1.269  -6.118  -4.202
  114    HG2  GLU  17          2HG       GLU  17   2.406  -8.173  -4.754
  115    HG3  GLU  17          1HG       GLU  17   1.286  -9.093  -3.754
  116    H    ALA  18           H        ALA  18   0.391  -6.195  -0.406
  117    HA   ALA  18           HA       ALA  18   0.550  -3.393  -0.531
  118    HB1  ALA  18          1HB       ALA  18  -1.210  -4.576   0.719
  119    HB2  ALA  18          2HB       ALA  18  -0.386  -3.391   1.735
  120    HB3  ALA  18          3HB       ALA  18  -0.011  -5.106   1.897
  121    H    LYS  19           H        LYS  19   2.557  -5.777   0.963
  122    HA   LYS  19           HA       LYS  19   4.161  -3.884   2.432
  123    HB2  LYS  19          2HB       LYS  19   4.573  -6.818   1.846
  124    HB3  LYS  19          1HB       LYS  19   5.489  -5.859   3.004
  125    HG2  LYS  19          2HG       LYS  19   3.559  -5.561   4.392
  126    HG3  LYS  19          1HG       LYS  19   2.512  -6.281   3.174
  127    HD2  LYS  19          2HD       LYS  19   2.948  -7.864   4.962
  128    HD3  LYS  19          1HD       LYS  19   3.679  -8.424   3.459
  129    HE2  LYS  19          2HE       LYS  19   5.846  -7.560   4.213
  130    HE3  LYS  19          1HE       LYS  19   5.098  -7.019   5.709
  131    HZ1  LYS  19          1HZ       LYS  19   5.357  -9.818   4.770
  132    HZ2  LYS  19          2HZ       LYS  19   4.531  -9.382   6.156
  133    HZ3  LYS  19          3HZ       LYS  19   6.195  -9.116   6.046
  134    H    LYS  20           H        LYS  20   3.958  -4.954  -0.748
  135    HA   LYS  20           HA       LYS  20   6.779  -4.687  -1.411
  136    HB2  LYS  20          2HB       LYS  20   5.352  -6.446  -2.450
  137    HB3  LYS  20          1HB       LYS  20   4.327  -5.195  -3.118
  138    HG2  LYS  20          2HG       LYS  20   5.745  -6.048  -4.842
  139    HG3  LYS  20          1HG       LYS  20   6.243  -4.402  -4.453
  140    HD2  LYS  20          2HD       LYS  20   8.105  -5.208  -3.176
  141    HD3  LYS  20          1HD       LYS  20   7.561  -6.876  -3.353
  142    HE2  LYS  20          2HE       LYS  20   9.387  -6.412  -4.889
  143    HE3  LYS  20          1HE       LYS  20   7.900  -6.726  -5.773
  144    HZ1  LYS  20          1HZ       LYS  20   7.641  -4.316  -6.071
  145    HZ2  LYS  20          2HZ       LYS  20   9.086  -4.887  -6.711
  146    HZ3  LYS  20          3HZ       LYS  20   9.103  -4.050  -5.262
  147    H    MET  21           H        MET  21   3.692  -3.130  -1.765
  148    HA   MET  21           HA       MET  21   4.150  -0.989  -3.423
  149    HB2  MET  21          2HB       MET  21   1.955  -1.600  -2.580
  150    HB3  MET  21          1HB       MET  21   2.443  -1.218  -0.941
  151    HG2  MET  21          2HG       MET  21   1.013   0.516  -1.794
  152    HG3  MET  21          1HG       MET  21   2.641   1.152  -1.576
  153    HE1  MET  21          1HE       MET  21   1.819   3.257  -3.044
  154    HE2  MET  21          2HE       MET  21   0.249   2.492  -3.279
  155    HE3  MET  21          3HE       MET  21   1.149   3.096  -4.669
  156    H    LYS  22           H        LYS  22   5.856   0.274  -3.261
  157    HA   LYS  22           HA       LYS  22   7.220   0.954  -0.900
  158    HB2  LYS  22          2HB       LYS  22   7.168   2.423  -3.542
  159    HB3  LYS  22          1HB       LYS  22   8.263   2.800  -2.229
  160    HG2  LYS  22          2HG       LYS  22   9.287   0.582  -2.454
  161    HG3  LYS  22          1HG       LYS  22   8.178   0.212  -3.780
  162    HD2  LYS  22          2HD       LYS  22   9.067   2.122  -5.045
  163    HD3  LYS  22          1HD       LYS  22  10.183   2.474  -3.729
  164    HE2  LYS  22          2HE       LYS  22  11.269   0.305  -4.079
  165    HE3  LYS  22          1HE       LYS  22  10.137  -0.053  -5.379
  166    HZ1  LYS  22          1HZ       LYS  22  12.104   2.183  -5.374
  167    HZ2  LYS  22          2HZ       LYS  22  10.989   1.860  -6.591
  168    HZ3  LYS  22          3HZ       LYS  22  12.212   0.764  -6.275
  169    H    LYS  23           H        LYS  23   7.131   2.787   0.378
  170    HA   LYS  23           HA       LYS  23   4.573   4.065   0.426
  171    HB2  LYS  23          2HB       LYS  23   6.980   4.385   2.223
  172    HB3  LYS  23          1HB       LYS  23   5.471   5.261   2.451
  173    HG2  LYS  23          2HG       LYS  23   4.277   3.157   2.742
  174    HG3  LYS  23          1HG       LYS  23   5.775   2.265   2.485
  175    HD2  LYS  23          2HD       LYS  23   6.730   3.254   4.489
  176    HD3  LYS  23          1HD       LYS  23   5.278   4.241   4.701
  177    HE2  LYS  23          2HE       LYS  23   3.933   2.255   5.020
  178    HE3  LYS  23          1HE       LYS  23   5.325   1.231   4.693
  179    HZ1  LYS  23          1HZ       LYS  23   6.369   2.081   6.711
  180    HZ2  LYS  23          2HZ       LYS  23   4.870   1.401   7.054
  181    HZ3  LYS  23          3HZ       LYS  23   5.042   3.081   7.001
  182    H    ARG  24           H        ARG  24   4.410   5.190  -1.309
  183    HA   ARG  24           HA       ARG  24   5.689   7.818  -1.394
  184    HB2  ARG  24          2HB       ARG  24   7.030   6.298  -2.932
  185    HB3  ARG  24          1HB       ARG  24   5.555   6.050  -3.851
  186    HG2  ARG  24          2HG       ARG  24   5.543   8.657  -3.999
  187    HG3  ARG  24          1HG       ARG  24   7.264   8.471  -3.655
  188    HD2  ARG  24          2HD       ARG  24   7.021   8.512  -6.023
  189    HD3  ARG  24          1HD       ARG  24   7.368   6.843  -5.571
  190    HE   ARG  24           HE       ARG  24   4.648   7.002  -5.583
  191   HH11  ARG  24          1HH1      ARG  24   7.125   7.541  -8.043
  192   HH12  ARG  24          2HH1      ARG  24   6.066   7.261  -9.353
  193   HH21  ARG  24          1HH2      ARG  24   3.243   6.655  -7.314
  194   HH22  ARG  24          2HH2      ARG  24   3.800   6.726  -8.940
  195    H    CYS  25           H        CYS  25   3.713   5.564  -3.243
  196    HA   CYS  25           HA       CYS  25   1.653   5.525  -4.015
  197    HB2  CYS  25          2HB       CYS  25   0.883   6.364  -1.787
  198    HB3  CYS  25          1HB       CYS  25   1.089   8.010  -2.364
  Start of MODEL   17
    1    H1   CYS   1          1HT       CYS   1  -3.665  -5.577   5.812
    2    H2   CYS   1          2HT       CYS   1  -2.876  -4.764   7.068
    3    H3   CYS   1          3HT       CYS   1  -2.135  -6.084   6.333
    4    HA   CYS   1           HA       CYS   1  -1.203  -4.007   5.688
    5    HB2  CYS   1          2HB       CYS   1  -2.546  -5.710   3.611
    6    HB3  CYS   1          1HB       CYS   1  -1.448  -4.413   3.171
    7    H    SER   2           H        SER   2  -2.074  -2.140   6.379
    8    HA   SER   2           HA       SER   2  -4.092  -0.933   4.642
    9    HB2  SER   2          2HB       SER   2  -3.413  -0.270   7.518
   10    HB3  SER   2          1HB       SER   2  -4.652   0.508   6.539
   11    HG   SER   2           HG       SER   2  -4.726  -2.271   6.866
   12    H    TYR   3           H        TYR   3  -3.610   1.237   4.031
   13    HA   TYR   3           HA       TYR   3  -0.997   2.259   4.712
   14    HB2  TYR   3          2HB       TYR   3  -0.676   0.881   2.678
   15    HB3  TYR   3          1HB       TYR   3  -1.944   1.772   1.863
   16    HD1  TYR   3          1HD       TYR   3   1.387   2.142   3.433
   17    HD2  TYR   3          2HD       TYR   3  -1.394   3.736   0.642
   18    HE1  TYR   3          1HE       TYR   3   3.080   3.708   2.649
   19    HE2  TYR   3          2HE       TYR   3   0.306   5.320  -0.140
   20    HH   TYR   3           HH       TYR   3   3.543   4.952   0.656
   21    H    THR   4           H        THR   4  -0.876   4.585   4.037
   22    HA   THR   4           HA       THR   4  -3.489   5.771   3.512
   23    HB   THR   4           HB       THR   4  -1.536   6.775   5.616
   24    HG1  THR   4          1HG       THR   4  -3.958   6.004   6.569
   25   HG21  THR   4          1HG2      THR   4  -4.372   7.608   4.949
   26   HG22  THR   4          2HG2      THR   4  -2.917   8.532   4.580
   27   HG23  THR   4          3HG2      THR   4  -3.389   8.264   6.258
   28    H    CYS   5           H        CYS   5  -3.285   7.311   1.943
   29    HA   CYS   5           HA       CYS   5  -0.629   8.389   1.436
   30    HB2  CYS   5          2HB       CYS   5  -1.389   6.757  -0.332
   31    HB3  CYS   5          1HB       CYS   5  -2.767   7.804  -0.637
   32    HA   DPR   6           HA       DPR   6  -2.226  12.526   1.505
   33    HB2  DPR   6          1HB       DPR   6  -1.767  12.186   4.420
   34    HB3  DPR   6          2HB       DPR   6  -1.223  13.506   3.367
   35    HG2  DPR   6          1HG       DPR   6   0.511  11.701   4.160
   36    HG3  DPR   6          2HG       DPR   6   0.485  12.156   2.443
   37    HD2  DPR   6          1HD       DPR   6  -0.692   9.740   3.782
   38    HD3  DPR   6          2HD       DPR   6   0.280   9.860   2.299
   39    HA   PRO   7           HA       PRO   7  -6.180  12.610   3.646
   40    HB2  PRO   7          2HB       PRO   7  -7.676  13.492   1.630
   41    HB3  PRO   7          1HB       PRO   7  -6.466  14.537   2.383
   42    HG2  PRO   7          2HG       PRO   7  -6.315  13.017  -0.191
   43    HG3  PRO   7          1HG       PRO   7  -5.758  14.660   0.167
   44    HD2  PRO   7          2HD       PRO   7  -4.131  12.416   0.123
   45    HD3  PRO   7          1HD       PRO   7  -3.759  13.920   0.989
   46    H    GLN   8           H        GLN   8  -5.147  10.347   1.486
   47    HA   GLN   8           HA       GLN   8  -7.788   9.072   1.232
   48    HB2  GLN   8          2HB       GLN   8  -5.272   8.586  -0.345
   49    HB3  GLN   8          1HB       GLN   8  -6.788   7.732  -0.544
   50    HG2  GLN   8          2HG       GLN   8  -7.852   9.772  -1.303
   51    HG3  GLN   8          1HG       GLN   8  -6.350  10.660  -1.042
   52   HE21  GLN   8          1HE2      GLN   8  -6.427   7.393  -2.293
   53   HE22  GLN   8          2HE2      GLN   8  -5.875   7.784  -3.872
   54    H    THR   9           H        THR   9  -8.050   7.193   2.319
   55    HA   THR   9           HA       THR   9  -5.679   5.980   3.443
   56    HB   THR   9           HB       THR   9  -7.842   6.181   4.829
   57    HG1  THR   9          1HG       THR   9  -6.375   4.755   5.535
   58   HG21  THR   9          1HG2      THR   9  -9.583   4.492   4.423
   59   HG22  THR   9          2HG2      THR   9  -8.697   3.972   2.980
   60   HG23  THR   9          3HG2      THR   9  -9.413   5.584   3.036
   61    H    TYR  10           H        TYR  10  -5.198   3.743   2.926
   62    HA   TYR  10           HA       TYR  10  -6.149   3.061   0.252
   63    HB2  TYR  10          2HB       TYR  10  -3.997   4.344   0.304
   64    HB3  TYR  10          1HB       TYR  10  -3.301   3.019   1.210
   65    HD1  TYR  10          1HD       TYR  10  -4.674   4.068  -2.007
   66    HD2  TYR  10          2HD       TYR  10  -2.588   1.013   0.075
   67    HE1  TYR  10          1HE       TYR  10  -4.040   3.061  -4.143
   68    HE2  TYR  10          2HE       TYR  10  -1.944  -0.005  -2.038
   69    HH   TYR  10           HH       TYR  10  -2.921   0.010  -4.467
   70    H    THR  11           H        THR  11  -6.587   0.950   0.060
   71    HA   THR  11           HA       THR  11  -5.453  -0.940   1.980
   72    HB   THR  11           HB       THR  11  -8.321  -0.937   0.974
   73    HG1  THR  11          1HG       THR  11  -7.122   0.456   2.905
   74   HG21  THR  11          1HG2      THR  11  -6.956  -2.553   3.152
   75   HG22  THR  11          2HG2      THR  11  -7.425  -3.169   1.568
   76   HG23  THR  11          3HG2      THR  11  -8.662  -2.654   2.715
   77    H    PHE  12           H        PHE  12  -4.722  -2.780   1.035
   78    HA   PHE  12           HA       PHE  12  -4.919  -2.777  -1.889
   79    HB2  PHE  12          2HB       PHE  12  -2.698  -2.284  -0.705
   80    HB3  PHE  12          1HB       PHE  12  -2.733  -3.975  -0.223
   81    HD1  PHE  12          1HD       PHE  12  -2.413  -1.662  -2.985
   82    HD2  PHE  12          2HD       PHE  12  -2.269  -5.713  -1.797
   83    HE1  PHE  12          1HE       PHE  12  -1.314  -2.236  -5.124
   84    HE2  PHE  12          2HE       PHE  12  -1.193  -6.313  -3.918
   85    HZ   PHE  12           HZ       PHE  12  -0.703  -4.568  -5.579
   86    HA   PRO  13           HA       PRO  13  -7.167  -6.610  -1.654
   87    HB2  PRO  13          2HB       PRO  13  -5.984  -7.830  -3.891
   88    HB3  PRO  13          1HB       PRO  13  -7.428  -6.820  -3.899
   89    HG2  PRO  13          2HG       PRO  13  -4.603  -6.097  -4.519
   90    HG3  PRO  13          1HG       PRO  13  -6.104  -5.500  -5.251
   91    HD2  PRO  13          2HD       PRO  13  -4.720  -4.014  -3.535
   92    HD3  PRO  13          1HD       PRO  13  -6.496  -4.002  -3.511
   93    H    THR  14           H        THR  14  -3.787  -7.266  -2.686
   94    HA   THR  14           HA       THR  14  -3.835  -9.613  -0.993
   95    HB   THR  14           HB       THR  14  -1.713 -10.135  -2.364
   96    HG1  THR  14          1HG       THR  14  -1.606  -8.991  -4.348
   97   HG21  THR  14          1HG2      THR  14  -4.390  -9.892  -3.749
   98   HG22  THR  14          2HG2      THR  14  -3.824 -11.274  -2.804
   99   HG23  THR  14          3HG2      THR  14  -3.042 -10.863  -4.327
  100    H    CYS  15           H        CYS  15  -3.018  -9.315   0.982
  101    HA   CYS  15           HA       CYS  15  -1.549  -7.080   1.810
  102    HB2  CYS  15          2HB       CYS  15  -2.954  -8.532   3.289
  103    HB3  CYS  15          1HB       CYS  15  -1.742  -9.790   3.162
  104    H    GLU  16           H        GLU  16  -0.467 -10.216   0.653
  105    HA   GLU  16           HA       GLU  16   2.251 -10.061   1.372
  106    HB2  GLU  16          2HB       GLU  16   1.258 -12.134   0.577
  107    HB3  GLU  16          1HB       GLU  16   0.921 -11.408  -0.987
  108    HG2  GLU  16          2HG       GLU  16   3.339 -11.181  -1.375
  109    HG3  GLU  16          1HG       GLU  16   3.641 -11.974   0.168
  110    H    GLU  17           H        GLU  17   0.478  -8.852  -1.408
  111    HA   GLU  17           HA       GLU  17   2.908  -7.882  -2.609
  112    HB2  GLU  17          2HB       GLU  17   0.073  -7.803  -3.558
  113    HB3  GLU  17          1HB       GLU  17   1.446  -7.186  -4.476
  114    HG2  GLU  17          2HG       GLU  17   2.403  -9.439  -4.488
  115    HG3  GLU  17          1HG       GLU  17   0.992 -10.026  -3.602
  116    H    ALA  18           H        ALA  18   0.467  -6.720  -0.589
  117    HA   ALA  18           HA       ALA  18   0.513  -3.961  -1.211
  118    HB1  ALA  18          1HB       ALA  18  -0.391  -3.620   1.011
  119    HB2  ALA  18          2HB       ALA  18   0.145  -5.227   1.497
  120    HB3  ALA  18          3HB       ALA  18  -1.130  -5.059   0.294
  121    H    LYS  19           H        LYS  19   2.578  -6.030   0.570
  122    HA   LYS  19           HA       LYS  19   4.273  -3.887   1.512
  123    HB2  LYS  19          2HB       LYS  19   4.457  -6.879   1.839
  124    HB3  LYS  19          1HB       LYS  19   5.440  -5.668   2.661
  125    HG2  LYS  19          2HG       LYS  19   3.517  -4.808   3.820
  126    HG3  LYS  19          1HG       LYS  19   2.450  -5.885   2.922
  127    HD2  LYS  19          2HD       LYS  19   2.883  -6.727   5.168
  128    HD3  LYS  19          1HD       LYS  19   3.531  -7.813   3.937
  129    HE2  LYS  19          2HE       LYS  19   5.754  -6.855   4.277
  130    HE3  LYS  19          1HE       LYS  19   5.089  -5.766   5.495
  131    HZ1  LYS  19          1HZ       LYS  19   5.179  -8.728   5.632
  132    HZ2  LYS  19          2HZ       LYS  19   4.506  -7.714   6.814
  133    HZ3  LYS  19          3HZ       LYS  19   6.154  -7.649   6.490
  134    H    LYS  20           H        LYS  20   3.862  -5.545  -1.285
  135    HA   LYS  20           HA       LYS  20   6.713  -5.781  -1.924
  136    HB2  LYS  20          2HB       LYS  20   5.168  -7.707  -2.427
  137    HB3  LYS  20          1HB       LYS  20   4.309  -6.654  -3.539
  138    HG2  LYS  20          2HG       LYS  20   6.323  -6.442  -4.901
  139    HG3  LYS  20          1HG       LYS  20   7.182  -7.497  -3.778
  140    HD2  LYS  20          2HD       LYS  20   5.569  -9.298  -4.258
  141    HD3  LYS  20          1HD       LYS  20   4.761  -8.243  -5.415
  142    HE2  LYS  20          2HE       LYS  20   6.256  -9.776  -6.568
  143    HE3  LYS  20          1HE       LYS  20   6.819  -8.118  -6.735
  144    HZ1  LYS  20          1HZ       LYS  20   7.918 -10.117  -4.815
  145    HZ2  LYS  20          2HZ       LYS  20   8.470  -8.536  -5.009
  146    HZ3  LYS  20          3HZ       LYS  20   8.629  -9.642  -6.260
  147    H    MET  21           H        MET  21   3.670  -4.445  -3.165
  148    HA   MET  21           HA       MET  21   5.037  -2.612  -4.913
  149    HB2  MET  21          2HB       MET  21   2.854  -3.603  -5.578
  150    HB3  MET  21          1HB       MET  21   2.098  -2.861  -4.179
  151    HG2  MET  21          2HG       MET  21   1.577  -1.603  -6.172
  152    HG3  MET  21          1HG       MET  21   2.599  -0.638  -5.108
  153    HE1  MET  21          1HE       MET  21   2.070   0.055  -8.191
  154    HE2  MET  21          2HE       MET  21   3.696   0.512  -8.703
  155    HE3  MET  21          3HE       MET  21   3.086   1.034  -7.132
  156    H    LYS  22           H        LYS  22   6.247  -1.540  -3.437
  157    HA   LYS  22           HA       LYS  22   4.968  -0.252  -1.209
  158    HB2  LYS  22          2HB       LYS  22   7.855  -0.456  -2.025
  159    HB3  LYS  22          1HB       LYS  22   7.297   0.492  -0.652
  160    HG2  LYS  22          2HG       LYS  22   6.428  -1.481   0.427
  161    HG3  LYS  22          1HG       LYS  22   6.821  -2.464  -0.980
  162    HD2  LYS  22          2HD       LYS  22   8.467  -2.764   0.806
  163    HD3  LYS  22          1HD       LYS  22   9.197  -2.041  -0.624
  164    HE2  LYS  22          2HE       LYS  22  10.026  -0.967   1.382
  165    HE3  LYS  22          1HE       LYS  22   9.067   0.170   0.446
  166    HZ1  LYS  22          1HZ       LYS  22   8.125  -1.302   2.860
  167    HZ2  LYS  22          2HZ       LYS  22   7.227  -0.168   2.009
  168    HZ3  LYS  22          3HZ       LYS  22   8.616   0.300   2.818
  169    H    LYS  23           H        LYS  23   4.192   1.606  -1.267
  170    HA   LYS  23           HA       LYS  23   5.272   3.540  -3.133
  171    HB2  LYS  23          2HB       LYS  23   2.931   4.609  -2.990
  172    HB3  LYS  23          1HB       LYS  23   3.147   3.168  -3.986
  173    HG2  LYS  23          2HG       LYS  23   2.168   1.842  -2.133
  174    HG3  LYS  23          1HG       LYS  23   1.901   3.344  -1.244
  175    HD2  LYS  23          2HD       LYS  23  -0.133   2.623  -2.410
  176    HD3  LYS  23          1HD       LYS  23   0.449   4.164  -3.044
  177    HE2  LYS  23          2HE       LYS  23   1.496   2.969  -4.937
  178    HE3  LYS  23          1HE       LYS  23   0.888   1.443  -4.301
  179    HZ1  LYS  23          1HZ       LYS  23  -1.355   2.188  -4.724
  180    HZ2  LYS  23          2HZ       LYS  23  -0.441   2.362  -6.117
  181    HZ3  LYS  23          3HZ       LYS  23  -0.810   3.716  -5.196
  182    H    ARG  24           H        ARG  24   5.012   5.790  -2.399
  183    HA   ARG  24           HA       ARG  24   5.215   5.966   0.498
  184    HB2  ARG  24          2HB       ARG  24   7.489   5.701  -0.496
  185    HB3  ARG  24          1HB       ARG  24   7.205   7.163  -1.422
  186    HG2  ARG  24          2HG       ARG  24   6.975   8.442   0.635
  187    HG3  ARG  24          1HG       ARG  24   7.265   6.980   1.577
  188    HD2  ARG  24          2HD       ARG  24   9.176   8.233  -0.378
  189    HD3  ARG  24          1HD       ARG  24   9.286   8.329   1.378
  190    HE   ARG  24           HE       ARG  24   9.227   5.687   0.901
  191   HH11  ARG  24          1HH1      ARG  24  11.237   8.314  -0.363
  192   HH12  ARG  24          2HH1      ARG  24  12.619   7.355  -0.613
  193   HH21  ARG  24          1HH2      ARG  24  11.144   4.336   0.578
  194   HH22  ARG  24          2HH2      ARG  24  12.556   5.029  -0.045
  195    H    CYS  25           H        CYS  25   3.876   7.456   1.114
  196    HA   CYS  25           HA       CYS  25   3.468   9.840  -0.523
  197    HB2  CYS  25          2HB       CYS  25   1.429   8.309   1.099
  198    HB3  CYS  25          1HB       CYS  25   1.130   9.853   0.308
  Start of MODEL   18
    1    H1   CYS   1          1HT       CYS   1  -5.597  -6.087   4.903
    2    H2   CYS   1          2HT       CYS   1  -5.694  -5.361   3.391
    3    H3   CYS   1          3HT       CYS   1  -6.413  -4.624   4.701
    4    HA   CYS   1           HA       CYS   1  -4.320  -4.228   5.708
    5    HB2  CYS   1          2HB       CYS   1  -3.183  -5.591   3.250
    6    HB3  CYS   1          1HB       CYS   1  -2.239  -4.762   4.468
    7    H    SER   2           H        SER   2  -4.052  -2.080   5.603
    8    HA   SER   2           HA       SER   2  -4.102  -0.821   2.977
    9    HB2  SER   2          2HB       SER   2  -5.673   0.094   5.392
   10    HB3  SER   2          1HB       SER   2  -5.566   0.939   3.851
   11    HG   SER   2           HG       SER   2  -6.853  -1.456   4.505
   12    H    TYR   3           H        TYR   3  -3.122   1.123   2.867
   13    HA   TYR   3           HA       TYR   3  -1.231   1.907   4.975
   14    HB2  TYR   3          2HB       TYR   3  -0.002   1.193   3.031
   15    HB3  TYR   3          1HB       TYR   3  -1.149   1.945   1.944
   16    HD1  TYR   3          1HD       TYR   3   1.391   2.876   4.556
   17    HD2  TYR   3          2HD       TYR   3  -0.566   3.920   0.924
   18    HE1  TYR   3          1HE       TYR   3   2.862   4.825   4.321
   19    HE2  TYR   3          2HE       TYR   3   0.882   5.856   0.676
   20    HH   TYR   3           HH       TYR   3   2.256   7.311   2.066
   21    H    THR   4           H        THR   4  -0.913   4.439   4.850
   22    HA   THR   4           HA       THR   4  -3.400   5.672   3.953
   23    HB   THR   4           HB       THR   4  -1.849   6.509   6.419
   24    HG1  THR   4          1HG       THR   4  -2.897   4.436   6.630
   25   HG21  THR   4          1HG2      THR   4  -3.868   7.842   6.877
   26   HG22  THR   4          2HG2      THR   4  -4.597   7.250   5.387
   27   HG23  THR   4          3HG2      THR   4  -3.168   8.280   5.319
   28    H    CYS   5           H        CYS   5  -3.023   7.104   2.411
   29    HA   CYS   5           HA       CYS   5  -0.365   8.334   2.212
   30    HB2  CYS   5          2HB       CYS   5  -1.231   6.900   0.293
   31    HB3  CYS   5          1HB       CYS   5  -2.519   8.078   0.094
   32    HA   DPR   6           HA       DPR   6  -2.254  12.394   2.585
   33    HB2  DPR   6          1HB       DPR   6  -1.063  12.134   5.294
   34    HB3  DPR   6          2HB       DPR   6  -0.876  13.460   4.134
   35    HG2  DPR   6          1HG       DPR   6   1.118  11.762   4.568
   36    HG3  DPR   6          2HG       DPR   6   0.745  12.306   2.921
   37    HD2  DPR   6          1HD       DPR   6   0.082   9.708   4.250
   38    HD3  DPR   6          2HD       DPR   6   0.655  10.030   2.597
   39    HA   PRO   7           HA       PRO   7  -5.386  11.491   5.723
   40    HB2  PRO   7          2HB       PRO   7  -7.421  12.758   4.572
   41    HB3  PRO   7          1HB       PRO   7  -6.086  13.660   5.299
   42    HG2  PRO   7          2HG       PRO   7  -6.692  13.171   2.427
   43    HG3  PRO   7          1HG       PRO   7  -5.930  14.572   3.193
   44    HD2  PRO   7          2HD       PRO   7  -4.617  12.421   1.892
   45    HD3  PRO   7          1HD       PRO   7  -3.861  13.705   2.855
   46    H    GLN   8           H        GLN   8  -5.003  10.246   2.629
   47    HA   GLN   8           HA       GLN   8  -7.635   8.949   2.507
   48    HB2  GLN   8          2HB       GLN   8  -5.477   9.309   0.434
   49    HB3  GLN   8          1HB       GLN   8  -6.989   8.456   0.169
   50    HG2  GLN   8          2HG       GLN   8  -8.251  10.463   0.472
   51    HG3  GLN   8          1HG       GLN   8  -6.811  11.345   0.980
   52   HE21  GLN   8          1HE2      GLN   8  -8.676  11.824  -1.219
   53   HE22  GLN   8          2HE2      GLN   8  -7.700  11.860  -2.643
   54    H    THR   9           H        THR   9  -7.777   6.814   2.952
   55    HA   THR   9           HA       THR   9  -5.298   5.410   3.365
   56    HB   THR   9           HB       THR   9  -7.147   5.168   5.050
   57    HG1  THR   9          1HG       THR   9  -5.486   3.491   4.532
   58   HG21  THR   9          1HG2      THR   9  -9.068   5.141   3.523
   59   HG22  THR   9          2HG2      THR   9  -9.051   3.690   4.529
   60   HG23  THR   9          3HG2      THR   9  -8.515   3.606   2.850
   61    H    TYR  10           H        TYR  10  -4.546   3.821   2.355
   62    HA   TYR  10           HA       TYR  10  -5.420   3.380  -0.406
   63    HB2  TYR  10          2HB       TYR  10  -3.284   4.516  -0.069
   64    HB3  TYR  10          1HB       TYR  10  -2.766   3.236   1.011
   65    HD1  TYR  10          1HD       TYR  10  -3.607   4.029  -2.463
   66    HD2  TYR  10          2HD       TYR  10  -1.743   1.310   0.170
   67    HE1  TYR  10          1HE       TYR  10  -2.587   2.908  -4.377
   68    HE2  TYR  10          2HE       TYR  10  -0.690   0.158  -1.714
   69    HH   TYR  10           HH       TYR  10  -0.562   1.462  -4.801
   70    H    THR  11           H        THR  11  -6.664   1.589  -0.204
   71    HA   THR  11           HA       THR  11  -5.795  -0.608   1.468
   72    HB   THR  11           HB       THR  11  -8.292  -0.232  -0.211
   73    HG1  THR  11          1HG       THR  11  -7.631   0.016   2.525
   74   HG21  THR  11          1HG2      THR  11  -7.636  -2.377   1.822
   75   HG22  THR  11          2HG2      THR  11  -7.736  -2.630   0.079
   76   HG23  THR  11          3HG2      THR  11  -9.181  -2.186   0.994
   77    H    PHE  12           H        PHE  12  -5.116  -2.578   0.696
   78    HA   PHE  12           HA       PHE  12  -4.470  -2.606  -2.160
   79    HB2  PHE  12          2HB       PHE  12  -2.654  -2.369  -0.215
   80    HB3  PHE  12          1HB       PHE  12  -2.925  -4.095  -0.107
   81    HD1  PHE  12          1HD       PHE  12  -2.012  -5.574  -1.601
   82    HD2  PHE  12          2HD       PHE  12  -1.919  -1.434  -2.406
   83    HE1  PHE  12          1HE       PHE  12  -0.507  -5.984  -3.510
   84    HE2  PHE  12          2HE       PHE  12  -0.407  -1.813  -4.304
   85    HZ   PHE  12           HZ       PHE  12   0.306  -4.102  -4.855
   86    HA   PRO  13           HA       PRO  13  -6.927  -6.375  -2.152
   87    HB2  PRO  13          2HB       PRO  13  -5.733  -7.614  -4.324
   88    HB3  PRO  13          1HB       PRO  13  -7.011  -6.406  -4.443
   89    HG2  PRO  13          2HG       PRO  13  -4.063  -6.089  -4.778
   90    HG3  PRO  13          1HG       PRO  13  -5.380  -5.304  -5.662
   91    HD2  PRO  13          2HD       PRO  13  -3.969  -4.042  -3.741
   92    HD3  PRO  13          1HD       PRO  13  -5.688  -3.703  -4.029
   93    H    THR  14           H        THR  14  -3.524  -7.085  -3.053
   94    HA   THR  14           HA       THR  14  -3.572  -9.521  -1.569
   95    HB   THR  14           HB       THR  14  -1.150  -9.352  -2.692
   96    HG1  THR  14          1HG       THR  14  -1.208  -7.898  -4.451
   97   HG21  THR  14          1HG2      THR  14  -2.130 -10.476  -4.660
   98   HG22  THR  14          2HG2      THR  14  -3.730  -9.897  -4.199
   99   HG23  THR  14          3HG2      THR  14  -2.886 -11.062  -3.179
  100    H    CYS  15           H        CYS  15  -3.246  -9.174   0.590
  101    HA   CYS  15           HA       CYS  15  -1.905  -7.002   1.704
  102    HB2  CYS  15          2HB       CYS  15  -3.511  -8.320   2.993
  103    HB3  CYS  15          1HB       CYS  15  -2.413  -9.694   2.965
  104    H    GLU  16           H        GLU  16  -0.660 -10.179   0.825
  105    HA   GLU  16           HA       GLU  16   1.855  -9.896   2.089
  106    HB2  GLU  16          2HB       GLU  16   1.074 -12.055   1.332
  107    HB3  GLU  16          1HB       GLU  16   1.031 -11.502  -0.332
  108    HG2  GLU  16          2HG       GLU  16   3.499 -11.162  -0.199
  109    HG3  GLU  16          1HG       GLU  16   3.460 -11.925   1.390
  110    H    GLU  17           H        GLU  17   0.682  -9.075  -1.109
  111    HA   GLU  17           HA       GLU  17   3.181  -8.178  -2.097
  112    HB2  GLU  17          2HB       GLU  17   1.491  -9.002  -3.617
  113    HB3  GLU  17          1HB       GLU  17   0.353  -7.785  -3.078
  114    HG2  GLU  17          2HG       GLU  17   1.726  -6.047  -4.087
  115    HG3  GLU  17          1HG       GLU  17   2.915  -7.258  -4.562
  116    H    ALA  18           H        ALA  18   0.613  -6.747  -0.296
  117    HA   ALA  18           HA       ALA  18   0.936  -4.040  -0.779
  118    HB1  ALA  18          1HB       ALA  18   0.231  -5.282   1.872
  119    HB2  ALA  18          2HB       ALA  18  -0.896  -4.985   0.549
  120    HB3  ALA  18          3HB       ALA  18  -0.115  -3.628   1.364
  121    H    LYS  19           H        LYS  19   2.905  -6.099   1.281
  122    HA   LYS  19           HA       LYS  19   4.324  -3.754   2.236
  123    HB2  LYS  19          2HB       LYS  19   5.684  -5.311   3.603
  124    HB3  LYS  19          1HB       LYS  19   3.964  -5.422   3.918
  125    HG2  LYS  19          2HG       LYS  19   3.854  -7.463   2.570
  126    HG3  LYS  19          1HG       LYS  19   5.587  -7.327   2.257
  127    HD2  LYS  19          2HD       LYS  19   6.086  -7.576   4.592
  128    HD3  LYS  19          1HD       LYS  19   4.375  -7.556   5.010
  129    HE2  LYS  19          2HE       LYS  19   4.054  -9.636   3.756
  130    HE3  LYS  19          1HE       LYS  19   5.766  -9.640   3.334
  131    HZ1  LYS  19          1HZ       LYS  19   5.242 -11.093   5.213
  132    HZ2  LYS  19          2HZ       LYS  19   4.711  -9.799   6.115
  133    HZ3  LYS  19          3HZ       LYS  19   6.326  -9.893   5.652
  134    H    LYS  20           H        LYS  20   4.512  -5.717  -0.415
  135    HA   LYS  20           HA       LYS  20   7.394  -5.345  -0.743
  136    HB2  LYS  20          2HB       LYS  20   6.438  -7.549  -1.372
  137    HB3  LYS  20          1HB       LYS  20   5.383  -6.752  -2.529
  138    HG2  LYS  20          2HG       LYS  20   7.326  -6.003  -3.799
  139    HG3  LYS  20          1HG       LYS  20   8.387  -6.779  -2.631
  140    HD2  LYS  20          2HD       LYS  20   7.453  -8.956  -3.209
  141    HD3  LYS  20          1HD       LYS  20   6.347  -8.186  -4.351
  142    HE2  LYS  20          2HE       LYS  20   8.256  -9.114  -5.539
  143    HE3  LYS  20          1HE       LYS  20   8.269  -7.360  -5.638
  144    HZ1  LYS  20          1HZ       LYS  20   9.967  -7.299  -3.909
  145    HZ2  LYS  20          2HZ       LYS  20  10.487  -8.285  -5.167
  146    HZ3  LYS  20          3HZ       LYS  20   9.921  -8.965  -3.753
  147    H    MET  21           H        MET  21   4.297  -4.329  -1.914
  148    HA   MET  21           HA       MET  21   5.065  -2.742  -4.074
  149    HB2  MET  21          2HB       MET  21   2.767  -3.449  -3.746
  150    HB3  MET  21          1HB       MET  21   2.692  -2.592  -2.215
  151    HG2  MET  21          2HG       MET  21   1.524  -1.367  -3.959
  152    HG3  MET  21          1HG       MET  21   2.918  -0.465  -3.378
  153    HE1  MET  21          1HE       MET  21   1.263   0.077  -6.113
  154    HE2  MET  21          2HE       MET  21   2.594   0.483  -7.195
  155    HE3  MET  21          3HE       MET  21   2.583   1.098  -5.541
  156    H    LYS  22           H        LYS  22   6.089  -1.000  -4.058
  157    HA   LYS  22           HA       LYS  22   6.893   0.289  -1.652
  158    HB2  LYS  22          2HB       LYS  22   7.191   1.184  -4.510
  159    HB3  LYS  22          1HB       LYS  22   7.957   1.963  -3.140
  160    HG2  LYS  22          2HG       LYS  22   8.466  -0.807  -4.191
  161    HG3  LYS  22          1HG       LYS  22   9.550   0.584  -4.234
  162    HD2  LYS  22          2HD       LYS  22   9.499   0.566  -1.718
  163    HD3  LYS  22          1HD       LYS  22   8.632  -0.964  -1.823
  164    HE2  LYS  22          2HE       LYS  22  10.973  -1.399  -1.500
  165    HE3  LYS  22          1HE       LYS  22  10.492  -1.912  -3.115
  166    HZ1  LYS  22          1HZ       LYS  22  11.434   0.121  -4.014
  167    HZ2  LYS  22          2HZ       LYS  22  12.597  -0.711  -3.112
  168    HZ3  LYS  22          3HZ       LYS  22  11.854   0.642  -2.468
  169    H    LYS  23           H        LYS  23   5.795   1.656  -0.536
  170    HA   LYS  23           HA       LYS  23   3.358   2.775  -1.319
  171    HB2  LYS  23          2HB       LYS  23   3.579   4.209   0.692
  172    HB3  LYS  23          1HB       LYS  23   3.934   2.530   1.047
  173    HG2  LYS  23          2HG       LYS  23   6.332   3.035   1.014
  174    HG3  LYS  23          1HG       LYS  23   5.971   4.724   0.656
  175    HD2  LYS  23          2HD       LYS  23   4.706   4.862   2.771
  176    HD3  LYS  23          1HD       LYS  23   5.155   3.198   3.126
  177    HE2  LYS  23          2HE       LYS  23   7.517   3.828   3.139
  178    HE3  LYS  23          1HE       LYS  23   7.081   5.490   2.750
  179    HZ1  LYS  23          1HZ       LYS  23   7.477   5.276   5.103
  180    HZ2  LYS  23          2HZ       LYS  23   6.395   4.017   5.231
  181    HZ3  LYS  23          3HZ       LYS  23   5.832   5.570   4.865
  182    H    ARG  24           H        ARG  24   2.867   4.637  -2.350
  183    HA   ARG  24           HA       ARG  24   5.090   6.333  -3.119
  184    HB2  ARG  24          2HB       ARG  24   4.788   4.638  -4.876
  185    HB3  ARG  24          1HB       ARG  24   3.101   5.094  -5.030
  186    HG2  ARG  24          2HG       ARG  24   4.485   6.014  -6.830
  187    HG3  ARG  24          1HG       ARG  24   3.742   7.280  -5.852
  188    HD2  ARG  24          2HD       ARG  24   6.086   7.764  -6.401
  189    HD3  ARG  24          1HD       ARG  24   5.815   7.631  -4.663
  190    HE   ARG  24           HE       ARG  24   6.757   5.254  -6.046
  191   HH11  ARG  24          1HH1      ARG  24   7.605   8.069  -4.052
  192   HH12  ARG  24          2HH1      ARG  24   9.085   7.419  -3.544
  193   HH21  ARG  24          1HH2      ARG  24   8.804   4.405  -5.380
  194   HH22  ARG  24          2HH2      ARG  24   9.811   5.320  -4.351
  195    H    CYS  25           H        CYS  25   4.527   8.202  -2.318
  196    HA   CYS  25           HA       CYS  25   1.895   9.250  -2.948
  197    HB2  CYS  25          2HB       CYS  25   3.411   9.582  -0.317
  198    HB3  CYS  25          1HB       CYS  25   1.995  10.518  -0.786
  Start of MODEL   19
    1    H1   CYS   1          1HT       CYS   1  -4.766  -5.050   5.685
    2    H2   CYS   1          2HT       CYS   1  -3.689  -6.267   5.256
    3    H3   CYS   1          3HT       CYS   1  -4.655  -5.553   4.078
    4    HA   CYS   1           HA       CYS   1  -2.554  -4.214   5.627
    5    HB2  CYS   1          2HB       CYS   1  -2.610  -5.232   2.800
    6    HB3  CYS   1          1HB       CYS   1  -1.399  -4.128   3.406
    7    H    SER   2           H        SER   2  -3.451  -2.278   6.048
    8    HA   SER   2           HA       SER   2  -4.570  -0.814   3.783
    9    HB2  SER   2          2HB       SER   2  -4.714  -0.123   6.707
   10    HB3  SER   2          1HB       SER   2  -5.579   0.661   5.398
   11    HG   SER   2           HG       SER   2  -7.077  -0.704   5.890
   12    H    TYR   3           H        TYR   3  -3.669   1.036   3.189
   13    HA   TYR   3           HA       TYR   3  -1.044   1.702   4.307
   14    HB2  TYR   3          2HB       TYR   3  -0.839   0.706   2.103
   15    HB3  TYR   3          1HB       TYR   3  -2.081   1.765   1.457
   16    HD1  TYR   3          1HD       TYR   3   1.307   1.756   2.931
   17    HD2  TYR   3          2HD       TYR   3  -1.483   3.815   0.487
   18    HE1  TYR   3          1HE       TYR   3   3.031   3.342   2.322
   19    HE2  TYR   3          2HE       TYR   3   0.214   5.428  -0.133
   20    HH   TYR   3           HH       TYR   3   2.433   6.284   0.871
   21    H    THR   4           H        THR   4  -0.497   3.992   4.197
   22    HA   THR   4           HA       THR   4  -2.862   5.701   4.249
   23    HB   THR   4           HB       THR   4  -0.164   6.222   5.502
   24    HG1  THR   4          1HG       THR   4  -2.587   5.312   6.706
   25   HG21  THR   4          1HG2      THR   4  -1.542   8.223   5.073
   26   HG22  THR   4          2HG2      THR   4  -1.403   7.900   6.801
   27   HG23  THR   4          3HG2      THR   4  -2.886   7.479   5.943
   28    H    CYS   5           H        CYS   5  -3.097   6.670   2.426
   29    HA   CYS   5           HA       CYS   5  -0.822   7.675   0.837
   30    HB2  CYS   5          2HB       CYS   5  -2.163   6.170  -0.443
   31    HB3  CYS   5          1HB       CYS   5  -3.654   6.856   0.163
   32    HA   DPR   6           HA       DPR   6  -2.200  11.920   1.403
   33    HB2  DPR   6          1HB       DPR   6  -0.313  11.671   3.708
   34    HB3  DPR   6          2HB       DPR   6  -0.405  12.966   2.499
   35    HG2  DPR   6          1HG       DPR   6   1.528  11.190   2.337
   36    HG3  DPR   6          2HG       DPR   6   0.634  11.624   0.865
   37    HD2  DPR   6          1HD       DPR   6   0.357   9.189   2.598
   38    HD3  DPR   6          2HD       DPR   6   0.389   9.324   0.826
   39    HA   PRO   7           HA       PRO   7  -4.545  11.660   5.291
   40    HB2  PRO   7          2HB       PRO   7  -6.745  12.913   4.459
   41    HB3  PRO   7          1HB       PRO   7  -5.249  13.807   4.745
   42    HG2  PRO   7          2HG       PRO   7  -6.486  12.960   2.166
   43    HG3  PRO   7          1HG       PRO   7  -5.592  14.440   2.546
   44    HD2  PRO   7          2HD       PRO   7  -4.562  12.160   1.272
   45    HD3  PRO   7          1HD       PRO   7  -3.606  13.480   1.979
   46    H    GLN   8           H        GLN   8  -4.876   9.965   2.460
   47    HA   GLN   8           HA       GLN   8  -7.547   8.880   3.010
   48    HB2  GLN   8          2HB       GLN   8  -5.755   8.570   0.607
   49    HB3  GLN   8          1HB       GLN   8  -7.377   7.920   0.772
   50    HG2  GLN   8          2HG       GLN   8  -8.316  10.125   0.795
   51    HG3  GLN   8          1HG       GLN   8  -6.709  10.851   0.834
   52   HE21  GLN   8          1HE2      GLN   8  -9.056   9.199  -1.135
   53   HE22  GLN   8          2HE2      GLN   8  -8.286   9.517  -2.641
   54    H    THR   9           H        THR   9  -7.826   6.799   3.570
   55    HA   THR   9           HA       THR   9  -5.479   5.163   3.994
   56    HB   THR   9           HB       THR   9  -8.392   4.580   4.639
   57    HG1  THR   9          1HG       THR   9  -6.282   5.584   6.263
   58   HG21  THR   9          1HG2      THR   9  -6.940   2.586   4.531
   59   HG22  THR   9          2HG2      THR   9  -7.436   2.915   6.193
   60   HG23  THR   9          3HG2      THR   9  -5.815   3.348   5.655
   61    H    TYR  10           H        TYR  10  -4.819   3.935   2.564
   62    HA   TYR  10           HA       TYR  10  -6.424   3.379   0.185
   63    HB2  TYR  10          2HB       TYR  10  -4.241   4.690   0.176
   64    HB3  TYR  10          1HB       TYR  10  -3.462   3.191   0.638
   65    HD1  TYR  10          1HD       TYR  10  -2.970   1.529  -1.002
   66    HD2  TYR  10          2HD       TYR  10  -5.314   4.909  -1.977
   67    HE1  TYR  10          1HE       TYR  10  -2.687   1.008  -3.402
   68    HE2  TYR  10          2HE       TYR  10  -5.065   4.424  -4.376
   69    HH   TYR  10           HH       TYR  10  -3.539   3.275  -5.822
   70    H    THR  11           H        THR  11  -7.317   1.358   0.434
   71    HA   THR  11           HA       THR  11  -5.846  -0.663   1.906
   72    HB   THR  11           HB       THR  11  -8.499  -0.960   0.479
   73    HG1  THR  11          1HG       THR  11  -8.124  -0.151   3.212
   74   HG21  THR  11          1HG2      THR  11  -8.881  -2.693   2.187
   75   HG22  THR  11          2HG2      THR  11  -7.306  -2.342   2.896
   76   HG23  THR  11          3HG2      THR  11  -7.410  -3.027   1.274
   77    H    PHE  12           H        PHE  12  -4.530  -1.953   0.925
   78    HA   PHE  12           HA       PHE  12  -4.310  -1.733  -1.927
   79    HB2  PHE  12          2HB       PHE  12  -2.403  -1.669  -0.192
   80    HB3  PHE  12          1HB       PHE  12  -2.619  -3.415  -0.112
   81    HD1  PHE  12          1HD       PHE  12  -1.944  -4.825  -1.951
   82    HD2  PHE  12          2HD       PHE  12  -1.576  -0.617  -2.136
   83    HE1  PHE  12          1HE       PHE  12  -0.505  -5.063  -3.922
   84    HE2  PHE  12          2HE       PHE  12  -0.113  -0.825  -4.121
   85    HZ   PHE  12           HZ       PHE  12   0.421  -3.062  -5.013
   86    HA   PRO  13           HA       PRO  13  -6.806  -5.288  -2.883
   87    HB2  PRO  13          2HB       PRO  13  -5.160  -6.227  -4.974
   88    HB3  PRO  13          1HB       PRO  13  -6.529  -5.119  -5.121
   89    HG2  PRO  13          2HG       PRO  13  -3.615  -4.521  -4.945
   90    HG3  PRO  13          1HG       PRO  13  -4.875  -3.706  -5.887
   91    HD2  PRO  13          2HD       PRO  13  -3.910  -2.615  -3.683
   92    HD3  PRO  13          1HD       PRO  13  -5.650  -2.516  -4.036
   93    H    THR  14           H        THR  14  -3.334  -6.107  -3.296
   94    HA   THR  14           HA       THR  14  -3.842  -8.603  -1.945
   95    HB   THR  14           HB       THR  14  -1.417  -8.979  -2.859
   96    HG1  THR  14          1HG       THR  14  -1.141  -7.726  -4.815
   97   HG21  THR  14          1HG2      THR  14  -2.338  -9.754  -4.995
   98   HG22  THR  14          2HG2      THR  14  -3.779  -8.776  -4.735
   99   HG23  THR  14          3HG2      THR  14  -3.443 -10.147  -3.676
  100    H    CYS  15           H        CYS  15  -3.394  -8.668   0.135
  101    HA   CYS  15           HA       CYS  15  -2.021  -6.650   1.531
  102    HB2  CYS  15          2HB       CYS  15  -3.806  -8.171   2.442
  103    HB3  CYS  15          1HB       CYS  15  -2.633  -9.468   2.451
  104    H    GLU  16           H        GLU  16  -0.973  -9.758   0.206
  105    HA   GLU  16           HA       GLU  16   1.582  -9.896   1.363
  106    HB2  GLU  16          2HB       GLU  16   0.660 -10.779  -1.360
  107    HB3  GLU  16          1HB       GLU  16   2.268 -11.083  -0.745
  108    HG2  GLU  16          2HG       GLU  16   1.247 -12.358   1.110
  109    HG3  GLU  16          1HG       GLU  16  -0.325 -12.144   0.328
  110    H    GLU  17           H        GLU  17   0.469  -8.309  -1.575
  111    HA   GLU  17           HA       GLU  17   3.108  -7.453  -2.174
  112    HB2  GLU  17          2HB       GLU  17   0.500  -6.788  -3.482
  113    HB3  GLU  17          1HB       GLU  17   2.077  -6.275  -4.084
  114    HG2  GLU  17          2HG       GLU  17   2.730  -8.636  -4.256
  115    HG3  GLU  17          1HG       GLU  17   1.106  -9.100  -3.750
  116    H    ALA  18           H        ALA  18   0.460  -6.118  -0.448
  117    HA   ALA  18           HA       ALA  18   1.151  -3.401  -0.538
  118    HB1  ALA  18          1HB       ALA  18   0.007  -4.920   1.795
  119    HB2  ALA  18          2HB       ALA  18  -0.914  -4.294   0.437
  120    HB3  ALA  18          3HB       ALA  18  -0.090  -3.175   1.531
  121    H    LYS  19           H        LYS  19   2.500  -6.049   1.196
  122    HA   LYS  19           HA       LYS  19   4.187  -4.421   2.848
  123    HB2  LYS  19          2HB       LYS  19   3.994  -7.399   2.400
  124    HB3  LYS  19          1HB       LYS  19   5.133  -6.663   3.528
  125    HG2  LYS  19          2HG       LYS  19   3.329  -5.710   4.815
  126    HG3  LYS  19          1HG       LYS  19   2.149  -6.275   3.643
  127    HD2  LYS  19          2HD       LYS  19   3.926  -8.117   5.237
  128    HD3  LYS  19          1HD       LYS  19   2.324  -7.615   5.772
  129    HE2  LYS  19          2HE       LYS  19   1.398  -8.553   3.660
  130    HE3  LYS  19          1HE       LYS  19   2.997  -9.179   3.276
  131    HZ1  LYS  19          1HZ       LYS  19   1.421  -9.850   5.687
  132    HZ2  LYS  19          2HZ       LYS  19   2.915 -10.531   5.275
  133    HZ3  LYS  19          3HZ       LYS  19   1.550 -10.827   4.335
  134    H    LYS  20           H        LYS  20   4.293  -5.703  -0.274
  135    HA   LYS  20           HA       LYS  20   7.191  -5.676  -0.608
  136    HB2  LYS  20          2HB       LYS  20   5.975  -7.396  -1.768
  137    HB3  LYS  20          1HB       LYS  20   4.816  -6.233  -2.385
  138    HG2  LYS  20          2HG       LYS  20   6.639  -5.242  -3.746
  139    HG3  LYS  20          1HG       LYS  20   7.678  -6.579  -3.235
  140    HD2  LYS  20          2HD       LYS  20   6.173  -8.181  -4.220
  141    HD3  LYS  20          1HD       LYS  20   5.015  -6.911  -4.607
  142    HE2  LYS  20          2HE       LYS  20   6.271  -7.563  -6.590
  143    HE3  LYS  20          1HE       LYS  20   6.625  -5.901  -6.142
  144    HZ1  LYS  20          1HZ       LYS  20   8.353  -8.227  -5.473
  145    HZ2  LYS  20          2HZ       LYS  20   8.702  -6.578  -5.215
  146    HZ3  LYS  20          3HZ       LYS  20   8.601  -7.174  -6.764
  147    H    MET  21           H        MET  21   4.339  -3.919  -1.354
  148    HA   MET  21           HA       MET  21   4.689  -2.133  -3.238
  149    HB2  MET  21          2HB       MET  21   2.690  -2.382  -1.920
  150    HB3  MET  21          1HB       MET  21   3.482  -1.658  -0.534
  151    HG2  MET  21          2HG       MET  21   3.733   0.434  -1.902
  152    HG3  MET  21          1HG       MET  21   2.708  -0.336  -3.113
  153    HE1  MET  21          1HE       MET  21   0.991   1.649  -3.029
  154    HE2  MET  21          2HE       MET  21   2.012   2.466  -1.846
  155    HE3  MET  21          3HE       MET  21   0.287   2.278  -1.539
  156    H    LYS  22           H        LYS  22   6.229  -0.837  -3.695
  157    HA   LYS  22           HA       LYS  22   7.801   0.560  -1.738
  158    HB2  LYS  22          2HB       LYS  22   8.601   1.917  -3.731
  159    HB3  LYS  22          1HB       LYS  22   8.875   0.191  -3.876
  160    HG2  LYS  22          2HG       LYS  22   6.891   0.028  -5.323
  161    HG3  LYS  22          1HG       LYS  22   6.683   1.773  -5.207
  162    HD2  LYS  22          2HD       LYS  22   8.858   2.115  -6.261
  163    HD3  LYS  22          1HD       LYS  22   9.118   0.369  -6.322
  164    HE2  LYS  22          2HE       LYS  22   7.183   0.125  -7.781
  165    HE3  LYS  22          1HE       LYS  22   6.893   1.862  -7.703
  166    HZ1  LYS  22          1HZ       LYS  22   8.008   1.278  -9.728
  167    HZ2  LYS  22          2HZ       LYS  22   9.260   0.516  -8.906
  168    HZ3  LYS  22          3HZ       LYS  22   9.060   2.186  -8.776
  169    H    LYS  23           H        LYS  23   7.239   2.314  -0.650
  170    HA   LYS  23           HA       LYS  23   4.510   3.031  -0.959
  171    HB2  LYS  23          2HB       LYS  23   4.647   4.212   1.091
  172    HB3  LYS  23          1HB       LYS  23   5.480   2.681   1.273
  173    HG2  LYS  23          2HG       LYS  23   7.630   3.899   1.000
  174    HG3  LYS  23          1HG       LYS  23   6.719   5.408   0.966
  175    HD2  LYS  23          2HD       LYS  23   6.838   3.423   3.250
  176    HD3  LYS  23          1HD       LYS  23   7.594   5.010   3.187
  177    HE2  LYS  23          2HE       LYS  23   4.607   4.491   3.162
  178    HE3  LYS  23          1HE       LYS  23   5.543   4.990   4.557
  179    HZ1  LYS  23          1HZ       LYS  23   4.423   6.844   3.583
  180    HZ2  LYS  23          2HZ       LYS  23   5.120   6.613   2.089
  181    HZ3  LYS  23          3HZ       LYS  23   6.066   7.068   3.412
  182    H    ARG  24           H        ARG  24   3.607   4.943  -1.123
  183    HA   ARG  24           HA       ARG  24   4.509   7.438  -1.515
  184    HB2  ARG  24          2HB       ARG  24   5.689   6.579  -3.569
  185    HB3  ARG  24          1HB       ARG  24   4.141   6.035  -4.196
  186    HG2  ARG  24          2HG       ARG  24   3.354   8.322  -4.329
  187    HG3  ARG  24          1HG       ARG  24   4.846   8.903  -3.586
  188    HD2  ARG  24          2HD       ARG  24   4.615   7.475  -6.231
  189    HD3  ARG  24          1HD       ARG  24   4.911   9.199  -5.997
  190    HE   ARG  24           HE       ARG  24   6.883   8.057  -4.599
  191   HH11  ARG  24          1HH1      ARG  24   5.838   7.776  -7.959
  192   HH12  ARG  24          2HH1      ARG  24   7.320   7.213  -8.536
  193   HH21  ARG  24          1HH2      ARG  24   8.955   7.317  -5.374
  194   HH22  ARG  24          2HH2      ARG  24   9.176   6.965  -7.016
  195    H    CYS  25           H        CYS  25   2.481   5.422  -3.578
  196    HA   CYS  25           HA       CYS  25   0.191   5.145  -2.269
  197    HB2  CYS  25          2HB       CYS  25  -0.061   7.599  -2.073
  198    HB3  CYS  25          1HB       CYS  25   0.048   7.790  -3.805
  Start of MODEL   20
    1    H1   CYS   1          1HT       CYS   1  -4.282  -5.896   6.213
    2    H2   CYS   1          2HT       CYS   1  -5.127  -5.264   4.896
    3    H3   CYS   1          3HT       CYS   1  -5.095  -4.426   6.359
    4    HA   CYS   1           HA       CYS   1  -2.829  -3.992   6.177
    5    HB2  CYS   1          2HB       CYS   1  -2.904  -5.485   3.527
    6    HB3  CYS   1          1HB       CYS   1  -1.521  -4.713   4.256
    7    H    SER   2           H        SER   2  -3.496  -1.986   6.181
    8    HA   SER   2           HA       SER   2  -4.201  -0.805   3.620
    9    HB2  SER   2          2HB       SER   2  -5.069   0.043   6.400
   10    HB3  SER   2          1HB       SER   2  -5.486   0.865   4.895
   11    HG   SER   2           HG       SER   2  -7.173  -0.399   5.146
   12    H    TYR   3           H        TYR   3  -3.324   1.190   3.250
   13    HA   TYR   3           HA       TYR   3  -1.068   2.015   4.906
   14    HB2  TYR   3          2HB       TYR   3  -0.192   0.883   2.936
   15    HB3  TYR   3          1HB       TYR   3  -1.313   1.744   1.894
   16    HD1  TYR   3          1HD       TYR   3   1.659   2.180   4.066
   17    HD2  TYR   3          2HD       TYR   3  -0.732   3.784   0.945
   18    HE1  TYR   3          1HE       TYR   3   3.332   3.932   3.687
   19    HE2  TYR   3          2HE       TYR   3   0.880   5.505   0.542
   20    HH   TYR   3           HH       TYR   3   2.701   6.663   2.110
   21    H    THR   4           H        THR   4  -0.679   4.436   4.604
   22    HA   THR   4           HA       THR   4  -3.203   5.726   3.901
   23    HB   THR   4           HB       THR   4  -1.144   6.704   5.885
   24    HG1  THR   4          1HG       THR   4  -2.128   4.802   6.617
   25   HG21  THR   4          1HG2      THR   4  -2.965   8.202   6.612
   26   HG22  THR   4          2HG2      THR   4  -4.013   7.533   5.360
   27   HG23  THR   4          3HG2      THR   4  -2.581   8.459   4.910
   28    H    CYS   5           H        CYS   5  -3.066   6.791   2.069
   29    HA   CYS   5           HA       CYS   5  -0.508   7.960   1.249
   30    HB2  CYS   5          2HB       CYS   5  -1.265   6.211  -0.290
   31    HB3  CYS   5          1HB       CYS   5  -2.856   6.924  -0.379
   32    HA   DPR   6           HA       DPR   6  -2.275  12.063   1.088
   33    HB2  DPR   6          1HB       DPR   6  -1.254  12.085   3.880
   34    HB3  DPR   6          2HB       DPR   6  -0.961  13.267   2.591
   35    HG2  DPR   6          1HG       DPR   6   0.942  11.587   3.302
   36    HG3  DPR   6          2HG       DPR   6   0.641  11.904   1.583
   37    HD2  DPR   6          1HD       DPR   6  -0.159   9.547   3.240
   38    HD3  DPR   6          2HD       DPR   6   0.493   9.624   1.586
   39    HA   PRO   7           HA       PRO   7  -5.576  11.974   4.178
   40    HB2  PRO   7          2HB       PRO   7  -7.448  13.178   2.723
   41    HB3  PRO   7          1HB       PRO   7  -6.074  14.088   3.361
   42    HG2  PRO   7          2HG       PRO   7  -6.554  13.092   0.587
   43    HG3  PRO   7          1HG       PRO   7  -5.821  14.612   1.125
   44    HD2  PRO   7          2HD       PRO   7  -4.431  12.338   0.300
   45    HD3  PRO   7          1HD       PRO   7  -3.750  13.683   1.236
   46    H    GLN   8           H        GLN   8  -5.009  10.015   1.647
   47    HA   GLN   8           HA       GLN   8  -7.717   8.897   1.613
   48    HB2  GLN   8          2HB       GLN   8  -5.555   8.623  -0.470
   49    HB3  GLN   8          1HB       GLN   8  -7.166   7.933  -0.562
   50    HG2  GLN   8          2HG       GLN   8  -8.103  10.217  -0.556
   51    HG3  GLN   8          1HG       GLN   8  -6.462  10.857  -0.560
   52   HE21  GLN   8          1HE2      GLN   8  -8.556  11.178  -2.504
   53   HE22  GLN   8          2HE2      GLN   8  -7.924  10.593  -4.001
   54    H    THR   9           H        THR   9  -7.913   7.053   2.650
   55    HA   THR   9           HA       THR   9  -5.622   5.510   3.425
   56    HB   THR   9           HB       THR   9  -8.584   4.888   3.655
   57    HG1  THR   9          1HG       THR   9  -6.892   5.750   5.750
   58   HG21  THR   9          1HG2      THR   9  -7.146   2.890   3.859
   59   HG22  THR   9          2HG2      THR   9  -7.888   3.297   5.405
   60   HG23  THR   9          3HG2      THR   9  -6.198   3.702   5.104
   61    H    TYR  10           H        TYR  10  -4.668   4.067   2.388
   62    HA   TYR  10           HA       TYR  10  -5.712   3.233  -0.177
   63    HB2  TYR  10          2HB       TYR  10  -3.506   4.418  -0.005
   64    HB3  TYR  10          1HB       TYR  10  -2.921   3.101   0.985
   65    HD1  TYR  10          1HD       TYR  10  -4.445   3.778  -2.265
   66    HD2  TYR  10          2HD       TYR  10  -1.833   1.348  -0.028
   67    HE1  TYR  10          1HE       TYR  10  -3.770   2.630  -4.344
   68    HE2  TYR  10          2HE       TYR  10  -1.123   0.176  -2.068
   69    HH   TYR  10           HH       TYR  10  -1.783   1.342  -5.128
   70    H    THR  11           H        THR  11  -6.889   1.480   0.204
   71    HA   THR  11           HA       THR  11  -6.025  -0.573   2.078
   72    HB   THR  11           HB       THR  11  -8.476  -0.569   0.299
   73    HG1  THR  11          1HG       THR  11  -8.611   0.233   2.960
   74   HG21  THR  11          1HG2      THR  11  -7.901  -1.830   2.992
   75   HG22  THR  11          2HG2      THR  11  -7.911  -2.676   1.446
   76   HG23  THR  11          3HG2      THR  11  -9.405  -1.982   2.080
   77    H    PHE  12           H        PHE  12  -5.246  -2.595   1.360
   78    HA   PHE  12           HA       PHE  12  -5.114  -2.887  -1.545
   79    HB2  PHE  12          2HB       PHE  12  -2.924  -2.308  -0.100
   80    HB3  PHE  12          1HB       PHE  12  -2.996  -4.038   0.178
   81    HD1  PHE  12          1HD       PHE  12  -2.613  -5.612  -1.532
   82    HD2  PHE  12          2HD       PHE  12  -2.530  -1.473  -2.360
   83    HE1  PHE  12          1HE       PHE  12  -1.605  -6.076  -3.736
   84    HE2  PHE  12          2HE       PHE  12  -1.507  -1.902  -4.549
   85    HZ   PHE  12           HZ       PHE  12  -1.037  -4.218  -5.244
   86    HA   PRO  13           HA       PRO  13  -7.211  -6.716  -0.594
   87    HB2  PRO  13          2HB       PRO  13  -6.691  -7.997  -2.974
   88    HB3  PRO  13          1HB       PRO  13  -7.984  -6.819  -2.741
   89    HG2  PRO  13          2HG       PRO  13  -5.275  -6.450  -3.940
   90    HG3  PRO  13          1HG       PRO  13  -6.830  -5.768  -4.451
   91    HD2  PRO  13          2HD       PRO  13  -5.004  -4.337  -3.082
   92    HD3  PRO  13          1HD       PRO  13  -6.750  -4.090  -2.866
   93    H    THR  14           H        THR  14  -4.137  -7.217  -2.391
   94    HA   THR  14           HA       THR  14  -3.672  -9.640  -0.919
   95    HB   THR  14           HB       THR  14  -1.697  -9.603  -2.650
   96    HG1  THR  14          1HG       THR  14  -3.042  -8.261  -4.501
   97   HG21  THR  14          1HG2      THR  14  -3.631 -11.144  -2.733
   98   HG22  THR  14          2HG2      THR  14  -3.174 -10.587  -4.340
   99   HG23  THR  14          3HG2      THR  14  -4.581  -9.889  -3.534
  100    H    CYS  15           H        CYS  15  -2.634  -9.398   0.941
  101    HA   CYS  15           HA       CYS  15  -1.286  -6.996   1.616
  102    HB2  CYS  15          2HB       CYS  15  -2.563  -8.362   3.236
  103    HB3  CYS  15          1HB       CYS  15  -1.303  -9.589   3.142
  104    H    GLU  16           H        GLU  16  -0.195 -10.142   0.539
  105    HA   GLU  16           HA       GLU  16   2.541  -9.731   1.237
  106    HB2  GLU  16          2HB       GLU  16   1.269 -11.637  -0.732
  107    HB3  GLU  16          1HB       GLU  16   2.945 -11.687  -0.204
  108    HG2  GLU  16          2HG       GLU  16   2.341 -12.218   2.015
  109    HG3  GLU  16          1HG       GLU  16   0.643 -11.879   1.700
  110    H    GLU  17           H        GLU  17   0.516  -8.891  -1.380
  111    HA   GLU  17           HA       GLU  17   2.628  -8.188  -3.201
  112    HB2  GLU  17          2HB       GLU  17   0.315  -8.912  -3.862
  113    HB3  GLU  17          1HB       GLU  17  -0.289  -7.412  -3.188
  114    HG2  GLU  17          2HG       GLU  17  -0.153  -7.175  -5.554
  115    HG3  GLU  17          1HG       GLU  17   1.123  -6.192  -4.840
  116    H    ALA  18           H        ALA  18   0.362  -6.596  -1.003
  117    HA   ALA  18           HA       ALA  18   1.018  -3.917  -1.350
  118    HB1  ALA  18          1HB       ALA  18  -0.905  -4.706  -0.052
  119    HB2  ALA  18          2HB       ALA  18   0.065  -3.545   0.855
  120    HB3  ALA  18          3HB       ALA  18   0.187  -5.267   1.213
  121    H    LYS  19           H        LYS  19   2.590  -6.394   0.582
  122    HA   LYS  19           HA       LYS  19   4.291  -4.862   2.114
  123    HB2  LYS  19          2HB       LYS  19   3.758  -7.340   2.235
  124    HB3  LYS  19          1HB       LYS  19   4.855  -7.555   0.892
  125    HG2  LYS  19          2HG       LYS  19   6.023  -8.091   2.878
  126    HG3  LYS  19          1HG       LYS  19   6.658  -6.559   2.257
  127    HD2  LYS  19          2HD       LYS  19   6.407  -6.348   4.626
  128    HD3  LYS  19          1HD       LYS  19   5.162  -5.363   3.874
  129    HE2  LYS  19          2HE       LYS  19   3.545  -7.246   4.228
  130    HE3  LYS  19          1HE       LYS  19   4.813  -8.111   5.088
  131    HZ1  LYS  19          1HZ       LYS  19   3.619  -5.513   5.869
  132    HZ2  LYS  19          2HZ       LYS  19   4.882  -6.258   6.682
  133    HZ3  LYS  19          3HZ       LYS  19   3.378  -6.989   6.646
  134    H    LYS  20           H        LYS  20   4.424  -5.849  -1.244
  135    HA   LYS  20           HA       LYS  20   7.191  -4.921  -1.568
  136    HB2  LYS  20          2HB       LYS  20   6.470  -7.167  -2.384
  137    HB3  LYS  20          1HB       LYS  20   5.361  -6.367  -3.480
  138    HG2  LYS  20          2HG       LYS  20   7.282  -7.016  -4.725
  139    HG3  LYS  20          1HG       LYS  20   7.337  -5.263  -4.539
  140    HD2  LYS  20          2HD       LYS  20   8.949  -5.467  -2.752
  141    HD3  LYS  20          1HD       LYS  20   8.830  -7.227  -2.804
  142    HE2  LYS  20          2HE       LYS  20   9.622  -7.135  -5.159
  143    HE3  LYS  20          1HE       LYS  20   9.879  -5.404  -4.955
  144    HZ1  LYS  20          1HZ       LYS  20  11.904  -6.646  -4.627
  145    HZ2  LYS  20          2HZ       LYS  20  11.174  -7.548  -3.386
  146    HZ3  LYS  20          3HZ       LYS  20  11.442  -5.900  -3.177
  147    H    MET  21           H        MET  21   3.937  -4.007  -2.085
  148    HA   MET  21           HA       MET  21   4.005  -2.544  -4.407
  149    HB2  MET  21          2HB       MET  21   1.955  -3.277  -3.286
  150    HB3  MET  21          1HB       MET  21   2.282  -2.176  -1.957
  151    HG2  MET  21          2HG       MET  21   0.584  -1.306  -3.484
  152    HG3  MET  21          1HG       MET  21   2.015  -0.273  -3.435
  153    HE1  MET  21          1HE       MET  21   1.308   0.950  -5.661
  154    HE2  MET  21          2HE       MET  21  -0.158  -0.031  -5.703
  155    HE3  MET  21          3HE       MET  21   0.856   0.101  -7.141
  156    H    LYS  22           H        LYS  22   4.137  -0.541  -4.796
  157    HA   LYS  22           HA       LYS  22   6.173   1.072  -3.798
  158    HB2  LYS  22          2HB       LYS  22   5.289   1.369  -6.037
  159    HB3  LYS  22          1HB       LYS  22   3.731   1.852  -5.394
  160    HG2  LYS  22          2HG       LYS  22   4.923   3.784  -6.203
  161    HG3  LYS  22          1HG       LYS  22   4.771   3.873  -4.450
  162    HD2  LYS  22          2HD       LYS  22   7.072   3.088  -4.206
  163    HD3  LYS  22          1HD       LYS  22   7.226   2.961  -5.959
  164    HE2  LYS  22          2HE       LYS  22   6.785   5.386  -6.141
  165    HE3  LYS  22          1HE       LYS  22   6.704   5.484  -4.384
  166    HZ1  LYS  22          1HZ       LYS  22   9.084   4.677  -5.972
  167    HZ2  LYS  22          2HZ       LYS  22   9.004   4.729  -4.294
  168    HZ3  LYS  22          3HZ       LYS  22   8.855   6.154  -5.186
  169    H    LYS  23           H        LYS  23   6.313   2.049  -1.936
  170    HA   LYS  23           HA       LYS  23   3.908   3.202  -0.771
  171    HB2  LYS  23          2HB       LYS  23   6.337   2.054   0.614
  172    HB3  LYS  23          1HB       LYS  23   5.052   2.935   1.435
  173    HG2  LYS  23          2HG       LYS  23   3.433   1.256   0.744
  174    HG3  LYS  23          1HG       LYS  23   4.696   0.382  -0.119
  175    HD2  LYS  23          2HD       LYS  23   5.872   0.004   1.977
  176    HD3  LYS  23          1HD       LYS  23   4.627   0.923   2.833
  177    HE2  LYS  23          2HE       LYS  23   2.947  -0.708   2.156
  178    HE3  LYS  23          1HE       LYS  23   4.174  -1.621   1.280
  179    HZ1  LYS  23          1HZ       LYS  23   4.194  -1.111   4.196
  180    HZ2  LYS  23          2HZ       LYS  23   5.294  -2.065   3.348
  181    HZ3  LYS  23          3HZ       LYS  23   3.677  -2.537   3.473
  182    H    ARG  24           H        ARG  24   4.703   4.947   0.900
  183    HA   ARG  24           HA       ARG  24   5.376   6.960   1.213
  184    HB2  ARG  24          2HB       ARG  24   7.730   6.426   1.000
  185    HB3  ARG  24          1HB       ARG  24   7.614   6.409  -0.756
  186    HG2  ARG  24          2HG       ARG  24   7.258   8.769  -0.829
  187    HG3  ARG  24          1HG       ARG  24   7.108   8.851   0.923
  188    HD2  ARG  24          2HD       ARG  24   9.595   7.975  -0.525
  189    HD3  ARG  24          1HD       ARG  24   9.310   9.621   0.041
  190    HE   ARG  24           HE       ARG  24   8.925   7.803   2.135
  191   HH11  ARG  24          1HH1      ARG  24  11.535   9.252   0.225
  192   HH12  ARG  24          2HH1      ARG  24  12.690   9.135   1.461
  193   HH21  ARG  24          1HH2      ARG  24  10.537   7.657   3.840
  194   HH22  ARG  24          2HH2      ARG  24  12.128   8.230   3.530
  195    H    CYS  25           H        CYS  25   3.705   7.839   0.711
  196    HA   CYS  25           HA       CYS  25   3.217   8.745  -2.012
  197    HB2  CYS  25          2HB       CYS  25   1.453   7.306  -1.232
  198    HB3  CYS  25          1HB       CYS  25   1.397   8.114   0.324