*HEADER    DE NOVO PROTEIN                         19-JUL-16   5KWZ              
*TITLE     NMR SOLUTION STRUCTURE OF DESIGNED PEPTIDE NC_CHH_D1                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DESIGNED PEPTIDE NC_CHH_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 5KWZ    0                                                
# Restraints file 1: design13pdb.restraints
!distance restraints
assign (resid   1 and name   HN)   (resid  26 and name  HB#)   2.950    1.150    1.150  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.525    0.725    0.725  
assign (resid   1 and name   HN)   (resid  26 and name   HA)   2.465    0.665    0.665  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   3.150    1.350    1.350  
assign (resid   2 and name   HN)   (resid  26 and name   HA)   3.280    1.480    1.480  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.740    0.940    0.940  
assign (resid   2 and name   HA)   (resid   3 and name  HD2)   2.535    0.735    0.735  
assign (resid   2 and name   HA)   (resid   3 and name  HD1)   2.625    0.825    0.825  
assign (resid  15 and name   HA)   (resid  16 and name  HD2)   2.665    0.865    0.865  
assign (resid  15 and name   HA)   (resid  16 and name  HD1)   2.665    0.865    0.865  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.590    0.790    0.790  
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   2.590    0.790    0.790  
assign (resid  14 and name HG2#)   (resid  15 and name   HN)   3.380    1.580    1.580  
assign (resid  14 and name   HN)   (resid  14 and name HG2#)   2.880    1.080    1.080  
assign (resid  14 and name   HB)   (resid  15 and name   HN)   3.305    1.505    1.505  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.515    0.715    0.715  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.455    0.655    0.655  
assign (resid  13 and name   HA)   (resid  13 and name  HD#)   2.650    0.850    0.850  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.735    0.935    0.935  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.695    0.895    0.895  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.280    1.480    1.480  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   3.310    1.510    1.510  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.605    0.805    0.805  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.710    0.910    0.910  
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   3.175    1.375    1.375  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   3.175    1.375    1.375  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   3.165    1.365    1.365  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   3.165    1.365    1.365  
assign (resid  10 and name   HN)   (resid  10 and name  HG2)   3.495    1.695    1.695  
assign (resid  10 and name   HN)   (resid  10 and name  HG1)   3.495    1.695    1.695  
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.940    1.140    1.140  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.200    1.400    1.400  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   3.200    1.400    1.400  
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.940    1.140    1.140  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.755    0.955    0.955  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   3.150    1.350    1.350  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.915    1.115    1.115  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.915    1.115    1.115  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.790    0.990    0.990  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   2.995    1.195    1.195  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   2.745    0.945    0.945  
assign (resid  22 and name   HN)   (resid  22 and name  HB2)   2.580    0.780    0.780  
assign (resid  22 and name   HN)   (resid  22 and name  HB1)   2.580    0.780    0.780  
assign (resid  21 and name  HB2)   (resid  22 and name   HN)   2.895    1.095    1.095  
assign (resid  21 and name  HB1)   (resid  22 and name   HN)   2.875    1.075    1.075  
assign (resid  19 and name   HA)   (resid  22 and name   HN)   3.210    1.410    1.410  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.640    0.840    0.840  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.685    0.885    0.885  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.735    0.935    0.935  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.875    1.075    1.075  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   2.700    0.900    0.900  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   2.790    0.990    0.990  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.805    1.005    1.005  
assign (resid   7 and name   HA)   (resid   9 and name   HN)   3.115    1.315    1.315  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.695    0.895    0.895  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.620    0.820    0.820  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.660    0.860    0.860  
assign (resid   1 and name   HA)   (resid  26 and name  HB#)   3.550    1.750    1.750  
assign (resid   1 and name   HN)   (resid   5 and name  HB2)   3.605    1.805    1.805  
assign (resid   1 and name   HN)   (resid   5 and name  HB1)   3.605    1.805    1.805  
assign (resid   1 and name   HN)   (resid  26 and name   HN)   3.490    1.690    1.690  
assign (resid   4 and name   HN)   (resid   4 and name  HG2)   3.605    1.805    1.805  
assign (resid   4 and name   HN)   (resid   4 and name  HG1)   3.605    1.805    1.805  
assign (resid  13 and name  HB2)   (resid  14 and name   HN)   3.270    1.470    1.470  
assign (resid   5 and name   HN)   (resid   5 and name  HD2)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid   5 and name  HD1)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid   5 and name  HG2)   3.590    1.790    1.790  
assign (resid   5 and name   HN)   (resid   5 and name  HG1)   3.590    1.790    1.790  
assign (resid   4 and name  HG2)   (resid   5 and name   HN)   3.650    1.850    1.850  
assign (resid   4 and name  HG1)   (resid   5 and name   HN)   3.650    1.850    1.850  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   3.180    1.380    1.380  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   3.180    1.380    1.380  
assign (resid   2 and name  HB2)   (resid   5 and name   HN)   3.485    1.685    1.685  
assign (resid   2 and name  HB1)   (resid   5 and name   HN)   3.485    1.685    1.685  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.490    0.690    0.690  
assign (resid   7 and name   HN)   (resid   7 and name  HD2)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid   7 and name  HD1)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid   7 and name  HG2)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid   7 and name  HG1)   3.650    1.850    1.850  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.795    0.995    0.995  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.795    0.995    0.995  
assign (resid  13 and name  HB1)   (resid  15 and name   HN)   2.890    1.090    1.090  
assign (resid   6 and name   HA)   (resid   9 and name   HN)   3.130    1.330    1.330  
assign (resid   7 and name   HA)   (resid  10 and name   HN)   2.985    1.185    1.185  
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.830    1.030    1.030  
assign (resid  11 and name   HN)   (resid  11 and name  HB1)   2.830    1.030    1.030  
assign (resid   7 and name   HA)   (resid  11 and name   HN)   2.975    1.175    1.175  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.810    1.010    1.010  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.810    1.010    1.010  
assign (resid   9 and name   HA)   (resid  12 and name   HN)   3.260    1.460    1.460  
assign (resid   9 and name   HA)   (resid  13 and name   HN)   3.505    1.705    1.705  
assign (resid   9 and name   HA)   (resid  13 and name  HD#)   2.830    1.030    1.030  
assign (resid  14 and name   HA)   (resid  14 and name HG2#)   2.660    0.860    0.860  
assign (resid  18 and name   HA)   (resid  21 and name  HB2)   3.010    1.210    1.210  
assign (resid  18 and name   HN)   (resid  18 and name  HG2)   3.135    1.335    1.335  
assign (resid  18 and name   HN)   (resid  18 and name  HG1)   3.135    1.335    1.335  
assign (resid  17 and name  HB2)   (resid  18 and name   HN)   2.940    1.140    1.140  
assign (resid  17 and name  HB1)   (resid  18 and name   HN)   2.940    1.140    1.140  
assign (resid  19 and name   HN)   (resid  19 and name  HB1)   2.690    0.890    0.890  
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.690    0.890    0.890  
assign (resid  13 and name  HB2)   (resid  19 and name   HN)   3.075    1.275    1.275  
assign (resid  16 and name   HA)   (resid  19 and name   HN)   2.990    1.190    1.190  
assign (resid  20 and name   HN)   (resid  20 and name  HG2)   3.555    1.755    1.755  
assign (resid  20 and name   HN)   (resid  20 and name  HG1)   3.555    1.755    1.755  
assign (resid  18 and name   HA)   (resid  21 and name   HN)   3.080    1.280    1.280  
assign (resid  23 and name   HN)   (resid  23 and name  HB2)   2.855    1.055    1.055  
assign (resid  23 and name   HN)   (resid  23 and name  HB1)   2.855    1.055    1.055  
assign (resid  24 and name   HN)   (resid  24 and name  HB2)   2.780    0.980    0.980  
assign (resid  24 and name   HN)   (resid  24 and name  HB1)   2.780    0.980    0.980  
assign (resid  24 and name   HN)   (resid  24 and name  HD2)   3.650    1.850    1.850  
assign (resid  24 and name   HN)   (resid  24 and name  HD1)   3.650    1.850    1.850  
assign (resid  21 and name   HA)   (resid  24 and name   HN)   3.125    1.325    1.325  
assign (resid  25 and name   HN)   (resid  26 and name  HB#)   3.110    1.310    1.310  
assign (resid  22 and name   HA)   (resid  25 and name   HN)   3.220    1.420    1.420  
assign (resid  23 and name   HA)   (resid  26 and name   HN)   3.140    1.340    1.340  
assign (resid   2 and name  HB1)   (resid   3 and name  HD2)   2.920    1.120    1.120  
assign (resid   2 and name  HB2)   (resid   3 and name  HD2)   2.920    1.120    1.120  
assign (resid  21 and name  HB1)   (resid  22 and name   HA)   2.940    1.140    1.140  
assign (resid  13 and name  HB2)   (resid  19 and name   HA)   3.090    1.290    1.290  
assign (resid   9 and name  HB2)   (resid  19 and name   HA)   3.245    1.445    1.445  
assign (resid   9 and name   HA)   (resid  13 and name  HE#)   3.240    1.440    1.440  
assign (resid   6 and name   HA)   (resid   6 and name  HG2)   2.960    1.160    1.160  
assign (resid   6 and name   HA)   (resid   6 and name  HG1)   2.960    1.160    1.160  
assign (resid   9 and name  HB1)   (resid  19 and name   HA)   3.245    1.445    1.445  
assign (resid  25 and name   HA)   (resid  25 and name  HD2)   3.485    1.685    1.685  
assign (resid  25 and name   HA)   (resid  25 and name  HD1)   3.485    1.685    1.685  
assign (resid   5 and name  HB2)   (resid  26 and name   HA)   3.530    1.730    1.730  
assign (resid   5 and name  HB1)   (resid  26 and name   HA)   3.530    1.730    1.730  
assign (resid  21 and name   HA)   (resid  24 and name  HD2)   3.650    1.850    1.850  
assign (resid  21 and name   HA)   (resid  24 and name  HD1)   3.650    1.850    1.850  
assign (resid   7 and name  HG2)   (resid   8 and name   HA)   3.485    1.685    1.685  
assign (resid   7 and name  HG1)   (resid   8 and name   HA)   3.485    1.685    1.685  
assign (resid   7 and name  HB1)   (resid   8 and name   HA)   2.865    1.065    1.065  
assign (resid   5 and name  HB2)   (resid  26 and name  HB#)   2.855    1.055    1.055  
assign (resid   5 and name  HB1)   (resid  26 and name  HB#)   2.855    1.055    1.055  
assign (resid   1 and name   HN)   (resid   1 and name  HB#)   2.660    0.860    0.860  
assign (resid   1 and name   HN)   (resid   5 and name  HB#)   3.175    1.375    1.375  
assign (resid   2 and name  HB#)   (resid   3 and name  HD2)   2.525    0.725    0.725  
assign (resid   2 and name  HB#)   (resid   4 and name   HN)   2.915    1.115    1.115  
assign (resid   2 and name  HB#)   (resid   5 and name   HN)   3.155    1.355    1.355  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.490    0.690    0.690  
assign (resid   4 and name   HN)   (resid   4 and name  HG#)   3.195    1.395    1.395  
assign (resid   4 and name   HN)   (resid   5 and name  HB#)   3.300    1.500    1.500  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.860    1.060    1.060  
assign (resid   4 and name  HG#)   (resid   5 and name   HN)   3.295    1.495    1.495  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.460    0.660    0.660  
assign (resid   5 and name   HN)   (resid   5 and name  HG#)   3.215    1.415    1.415  
assign (resid   5 and name  HB#)   (resid   5 and name  HE#)   3.265    1.465    1.465  
assign (resid   5 and name  HB#)   (resid  26 and name   HA)   3.180    1.380    1.380  
assign (resid   5 and name  HB#)   (resid  26 and name  HB#)   2.605    0.805    0.805  
assign (resid   6 and name   HN)   (resid   6 and name  HG#)   3.220    1.420    1.420  
assign (resid   6 and name  HB#)   (resid   6 and name  HD#)   2.485    0.685    0.685  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.970    1.170    1.170  
assign (resid   6 and name  HG#)   (resid   7 and name   HN)   3.345    1.545    1.545  
assign (resid   7 and name   HN)   (resid   7 and name  HG#)   3.275    1.475    1.475  
assign (resid   7 and name  HG#)   (resid   8 and name   HA)   3.055    1.255    1.255  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.460    0.660    0.660  
assign (resid   9 and name   HN)   (resid   9 and name  HB#)   2.520    0.720    0.720  
assign (resid   9 and name   HA)   (resid  12 and name  HB#)   3.280    1.480    1.480  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   2.750    0.950    0.950  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.530    0.730    0.730  
assign (resid  10 and name   HN)   (resid  10 and name  HG#)   3.095    1.295    1.295  
assign (resid  10 and name   HA)   (resid  19 and name  HG#)   2.885    1.085    1.085  
assign (resid  10 and name   HA)   (resid  19 and name  HD#)   3.065    1.265    1.265  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   2.830    1.030    1.030  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.515    0.715    0.715  
assign (resid  11 and name   HN)   (resid  12 and name  HB#)   3.160    1.360    1.360  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.885    1.085    1.085  
assign (resid  12 and name   HN)   (resid  12 and name  HB#)   2.520    0.720    0.720  
assign (resid  12 and name   HN)   (resid  12 and name  HG#)   3.195    1.395    1.395  
assign (resid  12 and name  HB#)   (resid  13 and name   HN)   2.860    1.060    1.060  
assign (resid  12 and name  HB#)   (resid  13 and name  HD#)   2.990    1.190    1.190  
assign (resid  12 and name  HB#)   (resid  13 and name  HE#)   3.070    1.270    1.270  
assign (resid  13 and name  HD#)   (resid  18 and name  HB#)   2.955    1.155    1.155  
assign (resid  13 and name  HD#)   (resid  18 and name  HG#)   2.895    1.095    1.095  
assign (resid  13 and name  HD#)   (resid  18 and name  HD#)   2.665    0.865    0.865  
assign (resid  13 and name  HE#)   (resid  18 and name  HG#)   3.050    1.250    1.250  
assign (resid  13 and name  HE#)   (resid  18 and name  HD#)   2.980    1.180    1.180  
assign (resid  15 and name   HA)   (resid  16 and name  HD#)   2.385    0.585    0.585  
assign (resid  15 and name  HB#)   (resid  18 and name   HN)   2.935    1.135    1.135  
assign (resid  16 and name   HA)   (resid  19 and name  HB#)   2.760    0.960    0.960  
assign (resid  17 and name   HN)   (resid  17 and name  HG#)   3.045    1.245    1.245  
assign (resid  18 and name   HN)   (resid  18 and name  HB#)   2.570    0.770    0.770  
assign (resid  18 and name   HN)   (resid  18 and name  HG#)   2.720    0.920    0.920  
assign (resid  18 and name  HB#)   (resid  19 and name   HN)   2.575    0.775    0.775  
assign (resid  19 and name   HN)   (resid  19 and name  HB#)   2.445    0.645    0.645  
assign (resid  19 and name   HN)   (resid  19 and name  HD#)   3.490    1.690    1.690  
assign (resid  19 and name   HA)   (resid  22 and name  HB#)   3.255    1.455    1.455  
assign (resid  19 and name  HB#)   (resid  19 and name  HD#)   2.475    0.675    0.675  
assign (resid  19 and name  HB#)   (resid  20 and name   HN)   2.880    1.080    1.080  
assign (resid  19 and name  HG#)   (resid  20 and name   HN)   2.915    1.115    1.115  
assign (resid  20 and name   HN)   (resid  20 and name  HB#)   2.430    0.630    0.630  
assign (resid  20 and name   HN)   (resid  20 and name  HG#)   3.190    1.390    1.390  
assign (resid  21 and name   HN)   (resid  21 and name  HG#)   2.760    0.960    0.960  
assign (resid  21 and name   HA)   (resid  21 and name  HG#)   2.705    0.905    0.905  
assign (resid  21 and name   HA)   (resid  24 and name  HB#)   2.935    1.135    1.135  
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   2.655    0.855    0.855  
assign (resid  22 and name  HB#)   (resid  25 and name   HN)   3.570    1.770    1.770  
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   2.535    0.735    0.735  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.440    0.640    0.640  
assign (resid  24 and name   HN)   (resid  24 and name  HG#)   3.160    1.360    1.360  
assign (resid  24 and name   HN)   (resid  24 and name  HD#)   3.290    1.490    1.490  
assign (resid  24 and name   HA)   (resid  24 and name  HG#)   2.685    0.885    0.885  
assign (resid  24 and name  HB#)   (resid  24 and name  HG#)   2.075    0.275    0.275  
assign (resid  24 and name  HB#)   (resid  24 and name  HD#)   2.565    0.765    0.765  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.570    0.770    0.770  
assign (resid  25 and name   HA)   (resid  25 and name  HD#)   3.095    1.295    1.295  
!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 -100.0   80.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  -30.0   30.0 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -60.0   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  -30.0   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  -60.0   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  -40.0   20.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -60.0   30.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -40.0   20.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -60.0   30.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -20.0   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  -60.0   30.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -40.0   40.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -60.0   30.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -40.0   20.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -70.0   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  -30.0   40.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -80.0   40.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -20.0   40.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -80.0   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  -30.0   40.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0 -100.0   80.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  150.0   50.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -80.0   60.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  135.0   35.0 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   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -70.0   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  -30.0   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  -60.0   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  -40.0   20.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -60.0   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  -20.0   40.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -60.0   30.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  -45.0   25.0 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -55.0   35.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  -45.0   25.0 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -60.0   30.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  -40.0   20.0 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  -60.0   30.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  -40.0   30.0 2
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0  -60.0   30.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  -30.0   30.0 2
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0  -90.0   30.0 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  -15.0   45.0 2
assign (resid    1 and name N    ) (resid    1 and name CA   )
       (resid    1 and name CB   ) (resid    1 and name CG   )    1.0  -60.0   30.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name CB   ) (resid    2 and name CG   )    1.0  -60.0   30.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name SG   )    1.0  -60.0   30.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name CB   ) (resid   13 and name CG   )    1.0  -60.0   30.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name CB   ) (resid   15 and name CG   )    1.0  180.0   30.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name CB   ) (resid   18 and name CG   )    1.0  -60.0   30.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name CB   ) (resid   19 and name CG   )    1.0  180.0   30.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name CB   ) (resid   22 and name SG   )    1.0  180.0   30.0 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name CB   ) (resid   25 and name CG   )    1.0  180.0   30.0 2
!hbond restraints
assign (resid 8 and name HN)(resid 4 and name O) 0 0 2
assign (resid 8 and name N)(resid 4 and name O) 0 0 3
assign (resid 9 and name HN)(resid 5 and name O) 0 0 2
assign (resid 9 and name N)(resid 5 and name O) 0 0 3
assign (resid 10 and name HN)(resid 6 and name O) 0 0 2
assign (resid 10 and name N)(resid 6 and name O) 0 0 3
assign (resid 11 and name HN)(resid 7 and name O) 0 0 2
assign (resid 11 and name N)(resid 7 and name O) 0 0 3
assign (resid 12 and name HN)(resid 8 and name O) 0 0 2
assign (resid 12 and name N)(resid 8 and name O) 0 0 3
assign (resid 13 and name HN)(resid 9 and name O) 0 0 2
assign (resid 13 and name N)(resid 9 and name O) 0 0 3
assign (resid 20 and name HN)(resid 16 and name O) 0 0 2
assign (resid 20 and name N)(resid 16 and name O) 0 0 3
assign (resid 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
assign (resid 22 and name HN)(resid 18 and name O) 0 0 2
assign (resid 22 and name N)(resid 18 and name O) 0 0 3
assign (resid 23 and name HN)(resid 19 and name O) 0 0 2
assign (resid 23 and name N)(resid 19 and name O) 0 0 3
assign (resid 25 and name HN)(resid 22 and name O) 0 0 2
assign (resid 25 and name N)(resid 22 and name O) 0 0 3
assign (resid 26 and name HN)(resid 22 and name O) 0 0 2
assign (resid 26 and name N)(resid 22 and name O) 0 0 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    HIS   1           H        HIS   1   1.929   8.250  -0.321
    2    HA   HIS   1           HA       HIS   1   2.201   7.720   2.533
    3    HB2  HIS   1          2HB       HIS   1   2.809  10.143   0.854
    4    HB3  HIS   1          1HB       HIS   1   2.843  10.178   2.613
    5    HD1  HIS   1          1HD       HIS   1   4.671   8.518  -0.321
    6    HD2  HIS   1          2HD       HIS   1   5.056   9.194   3.765
    7    HE1  HIS   1          1HE       HIS   1   7.001   7.818   0.289
    8    H    ASP   2           H        ASP   2   0.019   8.953   0.237
    9    HA   ASP   2           HA       ASP   2  -1.593  10.373   2.150
   10    HB2  ASP   2          2HB       ASP   2  -2.468   9.370  -0.577
   11    HB3  ASP   2          1HB       ASP   2  -3.299  10.539   0.417
   12    HA   PRO   3           HA       PRO   3  -3.401   6.874   4.145
   13    HB2  PRO   3          2HB       PRO   3  -5.850   8.577   4.083
   14    HB3  PRO   3          1HB       PRO   3  -5.122   7.717   5.445
   15    HG2  PRO   3          2HG       PRO   3  -4.795  10.327   5.221
   16    HG3  PRO   3          1HG       PRO   3  -3.438   9.298   5.711
   17    HD2  PRO   3          2HD       PRO   3  -3.939  10.595   3.043
   18    HD3  PRO   3          1HD       PRO   3  -2.423  10.314   3.927
   19    H    GLU   4           H        GLU   4  -5.362   8.472   1.706
   20    HA   GLU   4           HA       GLU   4  -7.246   6.510   1.096
   21    HB2  GLU   4          2HB       GLU   4  -5.884   8.375  -0.844
   22    HB3  GLU   4          1HB       GLU   4  -7.434   7.590  -1.082
   23    HG2  GLU   4          2HG       GLU   4  -8.423   8.904   0.675
   24    HG3  GLU   4          1HG       GLU   4  -6.855   9.602   1.080
   25    H    LYS   5           H        LYS   5  -4.176   7.149  -0.537
   26    HA   LYS   5           HA       LYS   5  -4.403   4.876  -2.194
   27    HB2  LYS   5          2HB       LYS   5  -2.159   6.789  -1.724
   28    HB3  LYS   5          1HB       LYS   5  -1.935   5.369  -2.740
   29    HG2  LYS   5          2HG       LYS   5  -3.892   6.191  -4.110
   30    HG3  LYS   5          1HG       LYS   5  -3.815   7.683  -3.169
   31    HD2  LYS   5          2HD       LYS   5  -1.508   6.560  -4.766
   32    HD3  LYS   5          1HD       LYS   5  -2.630   7.771  -5.375
   33    HE2  LYS   5          2HE       LYS   5  -0.956   8.129  -2.890
   34    HE3  LYS   5          1HE       LYS   5  -0.470   8.688  -4.484
   35    HZ1  LYS   5          1HZ       LYS   5  -2.331  10.155  -4.556
   36    HZ2  LYS   5          2HZ       LYS   5  -1.555  10.395  -3.063
   37    HZ3  LYS   5          3HZ       LYS   5  -2.976   9.527  -3.135
   38    H    ARG   6           H        ARG   6  -2.676   5.427   0.836
   39    HA   ARG   6           HA       ARG   6  -1.363   2.909   0.521
   40    HB2  ARG   6          2HB       ARG   6  -0.499   3.157   2.795
   41    HB3  ARG   6          1HB       ARG   6  -0.198   4.575   1.810
   42    HG2  ARG   6          2HG       ARG   6  -2.055   5.707   2.913
   43    HG3  ARG   6          1HG       ARG   6  -2.306   4.282   3.929
   44    HD2  ARG   6          2HD       ARG   6  -0.010   4.483   4.752
   45    HD3  ARG   6          1HD       ARG   6   0.205   5.914   3.743
   46    HE   ARG   6           HE       ARG   6  -1.973   6.000   5.612
   47   HH11  ARG   6          1HH1      ARG   6   1.439   6.789   5.007
   48   HH12  ARG   6          2HH1      ARG   6   1.528   7.989   6.195
   49   HH21  ARG   6          1HH2      ARG   6  -1.838   7.661   7.261
   50   HH22  ARG   6          2HH2      ARG   6  -0.379   8.501   7.500
   51    H    LYS   7           H        LYS   7  -4.318   3.933   2.049
   52    HA   LYS   7           HA       LYS   7  -4.923   1.568   3.434
   53    HB2  LYS   7          2HB       LYS   7  -6.273   3.723   3.494
   54    HB3  LYS   7          1HB       LYS   7  -6.804   3.317   1.863
   55    HG2  LYS   7          2HG       LYS   7  -8.529   2.717   3.413
   56    HG3  LYS   7          1HG       LYS   7  -7.824   1.253   2.725
   57    HD2  LYS   7          2HD       LYS   7  -6.461   0.998   4.747
   58    HD3  LYS   7          1HD       LYS   7  -7.214   2.437   5.431
   59    HE2  LYS   7          2HE       LYS   7  -8.560  -0.161   4.704
   60    HE3  LYS   7          1HE       LYS   7  -8.294   0.477   6.323
   61    HZ1  LYS   7          1HZ       LYS   7 -10.094   1.631   4.248
   62    HZ2  LYS   7          2HZ       LYS   7  -9.772   2.347   5.738
   63    HZ3  LYS   7          3HZ       LYS   7 -10.545   0.859   5.673
   64    H    GLU   8           H        GLU   8  -5.667   2.667   0.145
   65    HA   GLU   8           HA       GLU   8  -6.757   0.301  -0.719
   66    HB2  GLU   8          2HB       GLU   8  -5.416   2.518  -2.223
   67    HB3  GLU   8          1HB       GLU   8  -6.028   1.096  -3.054
   68    HG2  GLU   8          2HG       GLU   8  -7.671   2.953  -1.338
   69    HG3  GLU   8          1HG       GLU   8  -7.612   2.973  -3.100
   70    H    CYS   9           H        CYS   9  -3.364   1.252  -0.581
   71    HA   CYS   9           HA       CYS   9  -2.273  -0.897  -2.020
   72    HB2  CYS   9          2HB       CYS   9  -1.065   0.585   0.322
   73    HB3  CYS   9          1HB       CYS   9  -0.215  -0.597  -0.638
   74    H    GLU  10           H        GLU  10  -2.897  -0.615   1.478
   75    HA   GLU  10           HA       GLU  10  -1.909  -3.234   2.018
   76    HB2  GLU  10          2HB       GLU  10  -3.698  -1.494   3.725
   77    HB3  GLU  10          1HB       GLU  10  -2.752  -2.867   4.281
   78    HG2  GLU  10          2HG       GLU  10  -0.687  -1.659   3.695
   79    HG3  GLU  10          1HG       GLU  10  -1.657  -0.278   3.191
   80    H    LYS  11           H        LYS  11  -4.898  -1.911   1.128
   81    HA   LYS  11           HA       LYS  11  -6.621  -4.058   1.828
   82    HB2  LYS  11          2HB       LYS  11  -7.376  -1.802   1.549
   83    HB3  LYS  11          1HB       LYS  11  -6.791  -1.774  -0.096
   84    HG2  LYS  11          2HG       LYS  11  -8.512  -3.372  -0.730
   85    HG3  LYS  11          1HG       LYS  11  -9.110  -3.383   0.941
   86    HD2  LYS  11          2HD       LYS  11  -9.480  -0.999   0.849
   87    HD3  LYS  11          1HD       LYS  11  -8.821  -0.936  -0.774
   88    HE2  LYS  11          2HE       LYS  11 -10.659  -2.302  -1.575
   89    HE3  LYS  11          1HE       LYS  11 -11.320  -2.376   0.063
   90    HZ1  LYS  11          1HZ       LYS  11 -11.680  -0.073   0.062
   91    HZ2  LYS  11          2HZ       LYS  11 -12.299  -0.611  -1.427
   92    HZ3  LYS  11          3HZ       LYS  11 -10.789   0.166  -1.336
   93    H    LYS  12           H        LYS  12  -5.182  -2.974  -1.237
   94    HA   LYS  12           HA       LYS  12  -6.185  -5.189  -2.746
   95    HB2  LYS  12          2HB       LYS  12  -4.213  -3.012  -3.368
   96    HB3  LYS  12          1HB       LYS  12  -4.646  -4.253  -4.532
   97    HG2  LYS  12          2HG       LYS  12  -6.565  -2.281  -3.283
   98    HG3  LYS  12          1HG       LYS  12  -5.842  -2.130  -4.886
   99    HD2  LYS  12          2HD       LYS  12  -6.879  -4.337  -5.461
  100    HD3  LYS  12          1HD       LYS  12  -7.727  -4.274  -3.921
  101    HE2  LYS  12          2HE       LYS  12  -7.954  -2.206  -6.112
  102    HE3  LYS  12          1HE       LYS  12  -9.098  -3.509  -5.835
  103    HZ1  LYS  12          1HZ       LYS  12  -9.548  -2.543  -3.630
  104    HZ2  LYS  12          2HZ       LYS  12  -9.941  -1.557  -4.904
  105    HZ3  LYS  12          3HZ       LYS  12  -8.583  -1.187  -4.001
  106    H    TYR  13           H        TYR  13  -3.032  -4.308  -1.410
  107    HA   TYR  13           HA       TYR  13  -1.997  -6.897  -2.283
  108    HB2  TYR  13          2HB       TYR  13  -0.517  -4.470  -1.251
  109    HB3  TYR  13          1HB       TYR  13   0.215  -5.962  -1.797
  110    HD1  TYR  13          1HD       TYR  13   0.135  -6.515  -4.260
  111    HD2  TYR  13          2HD       TYR  13  -1.090  -2.746  -2.745
  112    HE1  TYR  13          1HE       TYR  13   0.442  -5.536  -6.484
  113    HE2  TYR  13          2HE       TYR  13  -0.802  -1.748  -4.961
  114    HH   TYR  13           HH       TYR  13   0.461  -2.164  -7.007
  115    H    THR  14           H        THR  14  -2.666  -8.270  -0.637
  116    HA   THR  14           HA       THR  14  -2.216  -7.431   2.059
  117    HB   THR  14           HB       THR  14  -2.976  -9.873   2.518
  118    HG1  THR  14          1HG       THR  14  -2.889 -10.843   0.590
  119   HG21  THR  14          1HG2      THR  14  -4.343  -7.864   2.881
  120   HG22  THR  14          2HG2      THR  14  -5.312  -9.207   2.293
  121   HG23  THR  14          3HG2      THR  14  -4.847  -7.907   1.192
  122    H    ASP  15           H        ASP  15  -0.559  -8.950  -0.404
  123    HA   ASP  15           HA       ASP  15   1.345 -10.540   0.919
  124    HB2  ASP  15          2HB       ASP  15   1.104 -10.487  -1.537
  125    HB3  ASP  15          1HB       ASP  15   1.667  -8.826  -1.560
  126    HA   PRO  16           HA       PRO  16   3.162  -7.402   3.554
  127    HB2  PRO  16          2HB       PRO  16   5.431  -9.325   3.265
  128    HB3  PRO  16          1HB       PRO  16   4.811  -8.538   4.725
  129    HG2  PRO  16          2HG       PRO  16   4.192 -11.053   4.227
  130    HG3  PRO  16          1HG       PRO  16   2.957  -9.933   4.835
  131    HD2  PRO  16          2HD       PRO  16   3.331 -11.026   2.087
  132    HD3  PRO  16          1HD       PRO  16   1.838 -10.622   2.959
  133    H    LYS  17           H        LYS  17   5.139  -8.793   0.912
  134    HA   LYS  17           HA       LYS  17   6.875  -6.538   0.987
  135    HB2  LYS  17          2HB       LYS  17   7.703  -8.792   0.358
  136    HB3  LYS  17          1HB       LYS  17   6.734  -8.715  -1.099
  137    HG2  LYS  17          2HG       LYS  17   9.096  -8.191  -1.538
  138    HG3  LYS  17          1HG       LYS  17   8.009  -6.854  -1.925
  139    HD2  LYS  17          2HD       LYS  17   9.985  -6.014  -0.806
  140    HD3  LYS  17          1HD       LYS  17   8.585  -5.781   0.230
  141    HE2  LYS  17          2HE       LYS  17   9.261  -7.961   1.362
  142    HE3  LYS  17          1HE       LYS  17  10.762  -7.845   0.460
  143    HZ1  LYS  17          1HZ       LYS  17   9.721  -5.968   2.487
  144    HZ2  LYS  17          2HZ       LYS  17  11.040  -5.595   1.502
  145    HZ3  LYS  17          3HZ       LYS  17  11.127  -6.899   2.576
  146    H    LYS  18           H        LYS  18   4.375  -7.637  -1.263
  147    HA   LYS  18           HA       LYS  18   4.549  -5.518  -3.129
  148    HB2  LYS  18          2HB       LYS  18   2.111  -7.037  -2.196
  149    HB3  LYS  18          1HB       LYS  18   2.146  -5.975  -3.583
  150    HG2  LYS  18          2HG       LYS  18   3.885  -8.411  -3.347
  151    HG3  LYS  18          1HG       LYS  18   2.286  -8.425  -4.087
  152    HD2  LYS  18          2HD       LYS  18   3.028  -6.763  -5.722
  153    HD3  LYS  18          1HD       LYS  18   4.626  -6.737  -4.973
  154    HE2  LYS  18          2HE       LYS  18   4.967  -9.056  -5.517
  155    HE3  LYS  18          1HE       LYS  18   3.334  -9.188  -6.162
  156    HZ1  LYS  18          1HZ       LYS  18   5.064  -8.933  -7.875
  157    HZ2  LYS  18          2HZ       LYS  18   5.455  -7.429  -7.267
  158    HZ3  LYS  18          3HZ       LYS  18   3.920  -7.686  -7.927
  159    H    ARG  19           H        ARG  19   2.751  -5.858  -0.150
  160    HA   ARG  19           HA       ARG  19   1.465  -3.371  -0.148
  161    HB2  ARG  19          2HB       ARG  19   0.575  -4.973   1.291
  162    HB3  ARG  19          1HB       ARG  19   2.142  -5.402   1.939
  163    HG2  ARG  19          2HG       ARG  19   2.192  -3.497   3.323
  164    HG3  ARG  19          1HG       ARG  19   0.832  -2.758   2.474
  165    HD2  ARG  19          2HD       ARG  19   0.386  -3.880   4.745
  166    HD3  ARG  19          1HD       ARG  19  -0.716  -4.217   3.421
  167    HE   ARG  19           HE       ARG  19   0.659  -6.292   3.106
  168   HH11  ARG  19          1HH1      ARG  19   0.469  -4.799   6.306
  169   HH12  ARG  19          2HH1      ARG  19   0.423  -6.262   7.157
  170   HH21  ARG  19          1HH2      ARG  19   0.497  -8.352   4.291
  171   HH22  ARG  19          2HH2      ARG  19   0.439  -8.312   5.996
  172    H    GLU  20           H        GLU  20   4.579  -4.362   1.290
  173    HA   GLU  20           HA       GLU  20   5.263  -1.905   2.406
  174    HB2  GLU  20          2HB       GLU  20   7.018  -4.040   1.222
  175    HB3  GLU  20          1HB       GLU  20   7.674  -2.590   1.945
  176    HG2  GLU  20          2HG       GLU  20   6.517  -3.234   4.062
  177    HG3  GLU  20          1HG       GLU  20   6.112  -4.770   3.287
  178    H    GLU  21           H        GLU  21   5.797  -3.087  -0.866
  179    HA   GLU  21           HA       GLU  21   7.254  -0.794  -1.661
  180    HB2  GLU  21          2HB       GLU  21   5.976  -2.983  -3.220
  181    HB3  GLU  21          1HB       GLU  21   6.832  -1.636  -3.968
  182    HG2  GLU  21          2HG       GLU  21   7.959  -3.636  -2.008
  183    HG3  GLU  21          1HG       GLU  21   8.312  -3.549  -3.736
  184    H    CYS  22           H        CYS  22   3.880  -1.611  -1.879
  185    HA   CYS  22           HA       CYS  22   3.332   0.574  -3.570
  186    HB2  CYS  22          2HB       CYS  22   1.828  -1.398  -3.373
  187    HB3  CYS  22          1HB       CYS  22   1.414  -0.903  -1.742
  188    H    LYS  23           H        LYS  23   3.055  -0.018  -0.085
  189    HA   LYS  23           HA       LYS  23   2.012   2.486   0.710
  190    HB2  LYS  23          2HB       LYS  23   1.891   0.343   1.962
  191    HB3  LYS  23          1HB       LYS  23   3.612   0.431   2.242
  192    HG2  LYS  23          2HG       LYS  23   3.321   2.352   3.665
  193    HG3  LYS  23          1HG       LYS  23   1.591   2.402   3.290
  194    HD2  LYS  23          2HD       LYS  23   1.307   0.168   4.236
  195    HD3  LYS  23          1HD       LYS  23   3.027   0.092   4.598
  196    HE2  LYS  23          2HE       LYS  23   2.793   1.943   6.147
  197    HE3  LYS  23          1HE       LYS  23   1.076   2.080   5.752
  198    HZ1  LYS  23          1HZ       LYS  23   2.394  -0.269   7.002
  199    HZ2  LYS  23          2HZ       LYS  23   0.743  -0.141   6.612
  200    HZ3  LYS  23          3HZ       LYS  23   1.415   0.865   7.790
  201    H    ARG  24           H        ARG  24   5.165   1.322   0.006
  202    HA   ARG  24           HA       ARG  24   6.918   3.161   1.118
  203    HB2  ARG  24          2HB       ARG  24   7.594   1.153  -0.080
  204    HB3  ARG  24          1HB       ARG  24   6.936   1.787  -1.570
  205    HG2  ARG  24          2HG       ARG  24   8.650   3.575  -1.499
  206    HG3  ARG  24          1HG       ARG  24   9.337   2.788  -0.074
  207    HD2  ARG  24          2HD       ARG  24   9.735   0.755  -1.354
  208    HD3  ARG  24          1HD       ARG  24   8.992   1.485  -2.777
  209    HE   ARG  24           HE       ARG  24  11.090   3.072  -1.781
  210   HH11  ARG  24          1HH1      ARG  24  10.631   0.037  -3.618
  211   HH12  ARG  24          2HH1      ARG  24  12.067   0.261  -4.511
  212   HH21  ARG  24          1HH2      ARG  24  13.039   3.291  -3.032
  213   HH22  ARG  24          2HH2      ARG  24  13.446   2.115  -4.188
  214    H    LYS  25           H        LYS  25   4.833   3.379  -1.695
  215    HA   LYS  25           HA       LYS  25   5.923   5.989  -2.409
  216    HB2  LYS  25          2HB       LYS  25   5.617   4.263  -4.164
  217    HB3  LYS  25          1HB       LYS  25   3.895   4.246  -3.815
  218    HG2  LYS  25          2HG       LYS  25   3.783   6.621  -4.452
  219    HG3  LYS  25          1HG       LYS  25   5.486   6.550  -4.910
  220    HD2  LYS  25          2HD       LYS  25   4.946   4.790  -6.539
  221    HD3  LYS  25          1HD       LYS  25   3.244   4.915  -6.089
  222    HE2  LYS  25          2HE       LYS  25   4.939   7.096  -7.288
  223    HE3  LYS  25          1HE       LYS  25   3.699   6.170  -8.124
  224    HZ1  LYS  25          1HZ       LYS  25   2.037   7.128  -6.664
  225    HZ2  LYS  25          2HZ       LYS  25   2.889   8.341  -7.431
  226    HZ3  LYS  25          3HZ       LYS  25   3.199   8.005  -5.822
  227    H    ALA  26           H        ALA  26   2.975   4.361  -1.440
  228    HA   ALA  26           HA       ALA  26   1.334   6.684  -1.620
  229    HB1  ALA  26          1HB       ALA  26  -0.410   5.287  -0.733
  230    HB2  ALA  26          2HB       ALA  26   0.771   4.046  -0.318
  231    HB3  ALA  26          3HB       ALA  26   0.469   4.446  -2.007
  Start of MODEL    2
    1    H    HIS   1           H        HIS   1   1.928   8.597  -1.044
    2    HA   HIS   1           HA       HIS   1   2.398   8.115   1.804
    3    HB2  HIS   1          2HB       HIS   1   2.577  10.729   0.277
    4    HB3  HIS   1          1HB       HIS   1   2.771  10.570   2.014
    5    HD1  HIS   1          1HD       HIS   1   4.704  10.587  -1.037
    6    HD2  HIS   1          2HD       HIS   1   5.028   8.830   2.706
    7    HE1  HIS   1          1HE       HIS   1   7.111   9.883  -0.809
    8    H    ASP   2           H        ASP   2  -0.023   8.701  -0.400
    9    HA   ASP   2           HA       ASP   2  -1.736  10.202   1.330
   10    HB2  ASP   2          2HB       ASP   2  -2.497   8.532  -1.079
   11    HB3  ASP   2          1HB       ASP   2  -3.573   9.618  -0.223
   12    HA   PRO   3           HA       PRO   3  -2.775   6.889   4.008
   13    HB2  PRO   3          2HB       PRO   3  -5.212   7.914   4.876
   14    HB3  PRO   3          1HB       PRO   3  -3.642   8.335   5.554
   15    HG2  PRO   3          2HG       PRO   3  -5.299   9.805   3.557
   16    HG3  PRO   3          1HG       PRO   3  -4.313  10.445   4.884
   17    HD2  PRO   3          2HD       PRO   3  -3.494  10.512   2.324
   18    HD3  PRO   3          1HD       PRO   3  -2.349  10.274   3.666
   19    H    GLU   4           H        GLU   4  -5.191   8.153   1.771
   20    HA   GLU   4           HA       GLU   4  -6.963   5.964   1.668
   21    HB2  GLU   4          2HB       GLU   4  -7.546   8.121   0.725
   22    HB3  GLU   4          1HB       GLU   4  -6.216   8.004  -0.419
   23    HG2  GLU   4          2HG       GLU   4  -7.376   6.004  -1.395
   24    HG3  GLU   4          1HG       GLU   4  -8.756   6.401  -0.372
   25    H    LYS   5           H        LYS   5  -4.257   6.853  -0.446
   26    HA   LYS   5           HA       LYS   5  -4.467   4.680  -2.210
   27    HB2  LYS   5          2HB       LYS   5  -2.148   6.470  -1.538
   28    HB3  LYS   5          1HB       LYS   5  -2.061   5.324  -2.846
   29    HG2  LYS   5          2HG       LYS   5  -3.911   7.702  -2.608
   30    HG3  LYS   5          1HG       LYS   5  -2.568   7.502  -3.733
   31    HD2  LYS   5          2HD       LYS   5  -3.786   5.575  -4.746
   32    HD3  LYS   5          1HD       LYS   5  -5.147   5.928  -3.683
   33    HE2  LYS   5          2HE       LYS   5  -3.993   7.764  -5.771
   34    HE3  LYS   5          1HE       LYS   5  -5.497   6.857  -5.907
   35    HZ1  LYS   5          1HZ       LYS   5  -6.346   8.187  -3.983
   36    HZ2  LYS   5          2HZ       LYS   5  -5.964   9.108  -5.332
   37    HZ3  LYS   5          3HZ       LYS   5  -4.920   9.099  -4.035
   38    H    ARG   6           H        ARG   6  -2.571   5.138   0.672
   39    HA   ARG   6           HA       ARG   6  -1.144   2.711   0.482
   40    HB2  ARG   6          2HB       ARG   6  -0.392   4.605   1.812
   41    HB3  ARG   6          1HB       ARG   6  -1.779   4.422   2.872
   42    HG2  ARG   6          2HG       ARG   6  -0.969   2.274   3.610
   43    HG3  ARG   6          1HG       ARG   6   0.397   2.385   2.495
   44    HD2  ARG   6          2HD       ARG   6  -0.209   4.279   4.738
   45    HD3  ARG   6          1HD       ARG   6   1.027   3.020   4.772
   46    HE   ARG   6           HE       ARG   6   1.555   4.559   2.547
   47   HH11  ARG   6          1HH1      ARG   6   1.390   5.110   6.030
   48   HH12  ARG   6          2HH1      ARG   6   2.496   6.403   6.015
   49   HH21  ARG   6          1HH2      ARG   6   3.042   6.286   2.504
   50   HH22  ARG   6          2HH2      ARG   6   3.479   7.104   3.949
   51    H    LYS   7           H        LYS   7  -4.193   3.611   2.027
   52    HA   LYS   7           HA       LYS   7  -4.587   1.163   3.427
   53    HB2  LYS   7          2HB       LYS   7  -5.755   3.424   3.795
   54    HB3  LYS   7          1HB       LYS   7  -6.747   2.983   2.410
   55    HG2  LYS   7          2HG       LYS   7  -8.004   2.367   4.273
   56    HG3  LYS   7          1HG       LYS   7  -7.314   0.870   3.662
   57    HD2  LYS   7          2HD       LYS   7  -5.512   0.985   5.317
   58    HD3  LYS   7          1HD       LYS   7  -6.190   2.483   5.954
   59    HE2  LYS   7          2HE       LYS   7  -6.856   0.685   7.387
   60    HE3  LYS   7          1HE       LYS   7  -8.270   1.225   6.487
   61    HZ1  LYS   7          1HZ       LYS   7  -6.608  -1.149   5.853
   62    HZ2  LYS   7          2HZ       LYS   7  -7.994  -0.678   4.995
   63    HZ3  LYS   7          3HZ       LYS   7  -8.121  -1.183   6.582
   64    H    GLU   8           H        GLU   8  -5.588   2.432   0.296
   65    HA   GLU   8           HA       GLU   8  -7.196   0.323  -0.465
   66    HB2  GLU   8          2HB       GLU   8  -7.061   2.535  -1.611
   67    HB3  GLU   8          1HB       GLU   8  -5.489   2.087  -2.231
   68    HG2  GLU   8          2HG       GLU   8  -7.226   1.859  -3.924
   69    HG3  GLU   8          1HG       GLU   8  -6.465   0.314  -3.552
   70    H    CYS   9           H        CYS   9  -3.715   0.923  -0.912
   71    HA   CYS   9           HA       CYS   9  -3.110  -1.455  -2.267
   72    HB2  CYS   9          2HB       CYS   9  -1.381   0.251  -0.492
   73    HB3  CYS   9          1HB       CYS   9  -0.778  -1.150  -1.369
   74    H    GLU  10           H        GLU  10  -3.376  -0.773   1.168
   75    HA   GLU  10           HA       GLU  10  -2.339  -3.208   2.139
   76    HB2  GLU  10          2HB       GLU  10  -2.700  -1.214   3.531
   77    HB3  GLU  10          1HB       GLU  10  -4.431  -1.358   3.301
   78    HG2  GLU  10          2HG       GLU  10  -4.383  -3.504   4.498
   79    HG3  GLU  10          1HG       GLU  10  -2.654  -3.286   4.767
   80    H    LYS  11           H        LYS  11  -5.559  -2.217   1.182
   81    HA   LYS  11           HA       LYS  11  -6.846  -4.666   1.883
   82    HB2  LYS  11          2HB       LYS  11  -8.029  -2.505   1.809
   83    HB3  LYS  11          1HB       LYS  11  -7.763  -2.424   0.080
   84    HG2  LYS  11          2HG       LYS  11 -10.045  -3.105   0.608
   85    HG3  LYS  11          1HG       LYS  11  -9.169  -4.370  -0.253
   86    HD2  LYS  11          2HD       LYS  11  -8.812  -5.587   1.798
   87    HD3  LYS  11          1HD       LYS  11  -9.534  -4.285   2.742
   88    HE2  LYS  11          2HE       LYS  11 -11.116  -6.112   2.442
   89    HE3  LYS  11          1HE       LYS  11 -11.668  -4.663   1.606
   90    HZ1  LYS  11          1HZ       LYS  11 -10.858  -5.622  -0.482
   91    HZ2  LYS  11          2HZ       LYS  11 -11.984  -6.616   0.267
   92    HZ3  LYS  11          3HZ       LYS  11 -10.359  -7.010   0.347
   93    H    LYS  12           H        LYS  12  -5.674  -3.298  -1.149
   94    HA   LYS  12           HA       LYS  12  -6.617  -5.471  -2.752
   95    HB2  LYS  12          2HB       LYS  12  -6.263  -3.125  -3.559
   96    HB3  LYS  12          1HB       LYS  12  -4.535  -3.393  -3.432
   97    HG2  LYS  12          2HG       LYS  12  -5.189  -3.639  -5.722
   98    HG3  LYS  12          1HG       LYS  12  -4.750  -5.226  -5.094
   99    HD2  LYS  12          2HD       LYS  12  -7.080  -5.808  -4.809
  100    HD3  LYS  12          1HD       LYS  12  -7.562  -4.178  -5.267
  101    HE2  LYS  12          2HE       LYS  12  -7.891  -5.725  -7.112
  102    HE3  LYS  12          1HE       LYS  12  -6.661  -4.532  -7.507
  103    HZ1  LYS  12          1HZ       LYS  12  -4.956  -6.191  -7.063
  104    HZ2  LYS  12          2HZ       LYS  12  -6.055  -6.769  -8.195
  105    HZ3  LYS  12          3HZ       LYS  12  -6.134  -7.321  -6.623
  106    H    TYR  13           H        TYR  13  -3.526  -4.599  -1.271
  107    HA   TYR  13           HA       TYR  13  -2.485  -7.214  -2.053
  108    HB2  TYR  13          2HB       TYR  13  -0.854  -4.685  -1.755
  109    HB3  TYR  13          1HB       TYR  13  -0.302  -6.272  -2.259
  110    HD1  TYR  13          1HD       TYR  13  -1.888  -3.186  -3.275
  111    HD2  TYR  13          2HD       TYR  13  -0.812  -7.097  -4.545
  112    HE1  TYR  13          1HE       TYR  13  -2.217  -2.507  -5.597
  113    HE2  TYR  13          2HE       TYR  13  -1.142  -6.436  -6.877
  114    HH   TYR  13           HH       TYR  13  -2.454  -4.692  -8.139
  115    H    THR  14           H        THR  14  -2.852  -8.177  -0.102
  116    HA   THR  14           HA       THR  14  -1.835  -6.866   2.275
  117    HB   THR  14           HB       THR  14  -3.197  -9.578   2.002
  118    HG1  THR  14          1HG       THR  14  -4.106  -6.937   1.991
  119   HG21  THR  14          1HG2      THR  14  -3.794  -9.217   4.363
  120   HG22  THR  14          2HG2      THR  14  -2.972  -7.658   4.343
  121   HG23  THR  14          3HG2      THR  14  -2.042  -9.147   4.172
  122    H    ASP  15           H        ASP  15  -0.681  -8.413  -0.209
  123    HA   ASP  15           HA       ASP  15   1.191 -10.339   0.702
  124    HB2  ASP  15          2HB       ASP  15   0.463 -10.015  -1.657
  125    HB3  ASP  15          1HB       ASP  15   1.302  -8.476  -1.677
  126    HA   PRO  16           HA       PRO  16   3.659  -7.542   3.181
  127    HB2  PRO  16          2HB       PRO  16   5.743  -9.498   2.316
  128    HB3  PRO  16          1HB       PRO  16   5.449  -8.819   3.922
  129    HG2  PRO  16          2HG       PRO  16   4.601 -11.246   3.392
  130    HG3  PRO  16          1HG       PRO  16   3.538 -10.123   4.257
  131    HD2  PRO  16          2HD       PRO  16   3.424 -11.016   1.409
  132    HD3  PRO  16          1HD       PRO  16   2.103 -10.649   2.541
  133    H    LYS  17           H        LYS  17   5.243  -8.748   0.205
  134    HA   LYS  17           HA       LYS  17   6.974  -6.512   0.164
  135    HB2  LYS  17          2HB       LYS  17   7.722  -8.582  -0.876
  136    HB3  LYS  17          1HB       LYS  17   6.417  -8.490  -2.055
  137    HG2  LYS  17          2HG       LYS  17   7.362  -6.495  -3.027
  138    HG3  LYS  17          1HG       LYS  17   8.579  -6.437  -1.758
  139    HD2  LYS  17          2HD       LYS  17   9.612  -8.435  -2.575
  140    HD3  LYS  17          1HD       LYS  17   8.329  -8.656  -3.770
  141    HE2  LYS  17          2HE       LYS  17  10.336  -7.672  -4.793
  142    HE3  LYS  17          1HE       LYS  17   8.959  -6.577  -4.860
  143    HZ1  LYS  17          1HZ       LYS  17   9.903  -5.362  -2.946
  144    HZ2  LYS  17          2HZ       LYS  17  10.941  -5.410  -4.263
  145    HZ3  LYS  17          3HZ       LYS  17  11.224  -6.427  -2.945
  146    H    LYS  18           H        LYS  18   3.988  -7.219  -1.528
  147    HA   LYS  18           HA       LYS  18   4.058  -4.990  -3.318
  148    HB2  LYS  18          2HB       LYS  18   1.631  -6.320  -2.161
  149    HB3  LYS  18          1HB       LYS  18   1.694  -5.406  -3.659
  150    HG2  LYS  18          2HG       LYS  18   3.023  -8.050  -3.122
  151    HG3  LYS  18          1HG       LYS  18   1.517  -7.820  -3.998
  152    HD2  LYS  18          2HD       LYS  18   2.639  -6.679  -5.741
  153    HD3  LYS  18          1HD       LYS  18   4.166  -6.660  -4.836
  154    HE2  LYS  18          2HE       LYS  18   2.696  -9.126  -5.781
  155    HE3  LYS  18          1HE       LYS  18   4.129  -8.441  -6.546
  156    HZ1  LYS  18          1HZ       LYS  18   5.391  -8.872  -4.557
  157    HZ2  LYS  18          2HZ       LYS  18   4.703 -10.286  -5.082
  158    HZ3  LYS  18          3HZ       LYS  18   4.048  -9.494  -3.737
  159    H    ARG  19           H        ARG  19   2.580  -5.574  -0.169
  160    HA   ARG  19           HA       ARG  19   1.204  -3.156   0.106
  161    HB2  ARG  19          2HB       ARG  19   0.831  -5.188   1.490
  162    HB3  ARG  19          1HB       ARG  19   2.356  -4.870   2.303
  163    HG2  ARG  19          2HG       ARG  19   1.421  -2.639   2.974
  164    HG3  ARG  19          1HG       ARG  19  -0.140  -3.195   2.366
  165    HD2  ARG  19          2HD       ARG  19  -0.050  -3.579   4.734
  166    HD3  ARG  19          1HD       ARG  19   0.028  -5.137   3.906
  167    HE   ARG  19           HE       ARG  19   2.599  -3.973   4.522
  168   HH11  ARG  19          1HH1      ARG  19   0.048  -6.070   5.767
  169   HH12  ARG  19          2HH1      ARG  19   1.061  -6.854   6.885
  170   HH21  ARG  19          1HH2      ARG  19   3.970  -5.033   5.974
  171   HH22  ARG  19          2HH2      ARG  19   3.378  -6.271   6.988
  172    H    GLU  20           H        GLU  20   4.384  -4.182   1.378
  173    HA   GLU  20           HA       GLU  20   4.878  -1.704   2.593
  174    HB2  GLU  20          2HB       GLU  20   6.856  -3.832   1.789
  175    HB3  GLU  20          1HB       GLU  20   7.234  -2.442   2.795
  176    HG2  GLU  20          2HG       GLU  20   5.362  -4.707   3.437
  177    HG3  GLU  20          1HG       GLU  20   6.904  -4.337   4.207
  178    H    GLU  21           H        GLU  21   5.643  -2.921  -0.652
  179    HA   GLU  21           HA       GLU  21   7.368  -0.911  -1.454
  180    HB2  GLU  21          2HB       GLU  21   6.832  -3.005  -2.696
  181    HB3  GLU  21          1HB       GLU  21   5.256  -2.319  -3.075
  182    HG2  GLU  21          2HG       GLU  21   6.441  -0.414  -4.094
  183    HG3  GLU  21          1HG       GLU  21   7.932  -1.346  -3.904
  184    H    CYS  22           H        CYS  22   3.829  -1.197  -1.721
  185    HA   CYS  22           HA       CYS  22   3.469   1.348  -2.864
  186    HB2  CYS  22          2HB       CYS  22   1.709  -0.354  -3.056
  187    HB3  CYS  22          1HB       CYS  22   1.461  -0.305  -1.311
  188    H    LYS  23           H        LYS  23   3.323   0.214   0.466
  189    HA   LYS  23           HA       LYS  23   2.446   2.495   1.774
  190    HB2  LYS  23          2HB       LYS  23   2.680   0.372   2.882
  191    HB3  LYS  23          1HB       LYS  23   4.415   0.381   2.627
  192    HG2  LYS  23          2HG       LYS  23   4.609   2.318   4.139
  193    HG3  LYS  23          1HG       LYS  23   2.872   2.242   4.430
  194    HD2  LYS  23          2HD       LYS  23   4.796  -0.016   4.987
  195    HD3  LYS  23          1HD       LYS  23   4.252   1.143   6.196
  196    HE2  LYS  23          2HE       LYS  23   1.965   0.396   5.937
  197    HE3  LYS  23          1HE       LYS  23   2.427  -0.671   4.612
  198    HZ1  LYS  23          1HZ       LYS  23   3.469  -0.932   7.373
  199    HZ2  LYS  23          2HZ       LYS  23   3.678  -1.996   6.053
  200    HZ3  LYS  23          3HZ       LYS  23   2.160  -1.813   6.757
  201    H    ARG  24           H        ARG  24   5.657   1.689   0.638
  202    HA   ARG  24           HA       ARG  24   6.885   3.956   1.906
  203    HB2  ARG  24          2HB       ARG  24   7.964   1.996  -0.106
  204    HB3  ARG  24          1HB       ARG  24   8.909   3.205   0.748
  205    HG2  ARG  24          2HG       ARG  24   8.555   2.124   2.838
  206    HG3  ARG  24          1HG       ARG  24   7.357   1.036   2.132
  207    HD2  ARG  24          2HD       ARG  24   9.152   0.162   0.639
  208    HD3  ARG  24          1HD       ARG  24  10.307   1.127   1.559
  209    HE   ARG  24           HE       ARG  24   9.204  -0.235   3.503
  210   HH11  ARG  24          1HH1      ARG  24  10.263  -1.402   0.323
  211   HH12  ARG  24          2HH1      ARG  24  10.611  -2.976   0.833
  212   HH21  ARG  24          1HH2      ARG  24   9.655  -2.427   4.229
  213   HH22  ARG  24          2HH2      ARG  24  10.253  -3.582   3.140
  214    H    LYS  25           H        LYS  25   5.269   3.415  -1.095
  215    HA   LYS  25           HA       LYS  25   6.692   5.700  -2.263
  216    HB2  LYS  25          2HB       LYS  25   6.605   3.607  -3.626
  217    HB3  LYS  25          1HB       LYS  25   4.854   3.770  -3.697
  218    HG2  LYS  25          2HG       LYS  25   5.115   5.944  -4.804
  219    HG3  LYS  25          1HG       LYS  25   6.863   5.729  -4.760
  220    HD2  LYS  25          2HD       LYS  25   6.637   3.736  -6.168
  221    HD3  LYS  25          1HD       LYS  25   4.891   3.976  -6.226
  222    HE2  LYS  25          2HE       LYS  25   7.008   5.861  -7.284
  223    HE3  LYS  25          1HE       LYS  25   5.927   4.867  -8.250
  224    HZ1  LYS  25          1HZ       LYS  25   5.149   7.161  -8.143
  225    HZ2  LYS  25          2HZ       LYS  25   5.105   7.126  -6.486
  226    HZ3  LYS  25          3HZ       LYS  25   4.041   6.173  -7.367
  227    H    ALA  26           H        ALA  26   3.489   4.532  -1.486
  228    HA   ALA  26           HA       ALA  26   2.275   7.002  -2.363
  229    HB1  ALA  26          1HB       ALA  26   1.105   4.915  -2.844
  230    HB2  ALA  26          2HB       ALA  26   0.160   5.906  -1.732
  231    HB3  ALA  26          3HB       ALA  26   1.071   4.523  -1.126
  Start of MODEL    3
    1    H    HIS   1           H        HIS   1   1.561   8.394  -0.994
    2    HA   HIS   1           HA       HIS   1   2.542   8.666   1.747
    3    HB2  HIS   1          2HB       HIS   1   2.273  10.672  -0.491
    4    HB3  HIS   1          1HB       HIS   1   2.536  11.166   1.174
    5    HD1  HIS   1          1HD       HIS   1   4.733  12.156  -0.337
    6    HD2  HIS   1          2HD       HIS   1   4.653   8.143   0.741
    7    HE1  HIS   1          1HE       HIS   1   7.121  11.387  -0.394
    8    H    ASP   2           H        ASP   2  -0.257   8.508   0.012
    9    HA   ASP   2           HA       ASP   2  -1.724  10.185   1.908
   10    HB2  ASP   2          2HB       ASP   2  -2.855   8.672  -0.452
   11    HB3  ASP   2          1HB       ASP   2  -3.696   9.824   0.549
   12    HA   PRO   3           HA       PRO   3  -2.814   6.594   4.326
   13    HB2  PRO   3          2HB       PRO   3  -5.329   8.109   4.745
   14    HB3  PRO   3          1HB       PRO   3  -4.220   7.441   5.947
   15    HG2  PRO   3          2HG       PRO   3  -4.329  10.073   5.468
   16    HG3  PRO   3          1HG       PRO   3  -2.801   9.261   5.840
   17    HD2  PRO   3          2HD       PRO   3  -3.819  10.242   3.199
   18    HD3  PRO   3          1HD       PRO   3  -2.165  10.175   3.852
   19    H    GLU   4           H        GLU   4  -4.915   8.168   2.052
   20    HA   GLU   4           HA       GLU   4  -6.949   6.327   1.574
   21    HB2  GLU   4          2HB       GLU   4  -5.477   7.934  -0.505
   22    HB3  GLU   4          1HB       GLU   4  -7.106   7.304  -0.626
   23    HG2  GLU   4          2HG       GLU   4  -7.846   8.832   1.094
   24    HG3  GLU   4          1HG       GLU   4  -6.193   9.426   1.296
   25    H    LYS   5           H        LYS   5  -3.830   6.712  -0.056
   26    HA   LYS   5           HA       LYS   5  -4.184   4.391  -1.663
   27    HB2  LYS   5          2HB       LYS   5  -1.804   6.187  -1.245
   28    HB3  LYS   5          1HB       LYS   5  -1.835   4.855  -2.397
   29    HG2  LYS   5          2HG       LYS   5  -3.768   7.154  -2.424
   30    HG3  LYS   5          1HG       LYS   5  -2.297   7.082  -3.398
   31    HD2  LYS   5          2HD       LYS   5  -3.092   5.210  -4.617
   32    HD3  LYS   5          1HD       LYS   5  -4.428   4.947  -3.503
   33    HE2  LYS   5          2HE       LYS   5  -4.088   7.361  -5.266
   34    HE3  LYS   5          1HE       LYS   5  -5.143   5.983  -5.592
   35    HZ1  LYS   5          1HZ       LYS   5  -6.301   6.472  -3.496
   36    HZ2  LYS   5          2HZ       LYS   5  -6.431   7.700  -4.634
   37    HZ3  LYS   5          3HZ       LYS   5  -5.393   7.895  -3.335
   38    H    ARG   6           H        ARG   6  -2.566   5.121   1.303
   39    HA   ARG   6           HA       ARG   6  -1.081   2.763   1.569
   40    HB2  ARG   6          2HB       ARG   6  -0.965   4.750   3.094
   41    HB3  ARG   6          1HB       ARG   6  -2.514   4.269   3.765
   42    HG2  ARG   6          2HG       ARG   6  -1.497   2.124   4.468
   43    HG3  ARG   6          1HG       ARG   6   0.059   2.721   3.890
   44    HD2  ARG   6          2HD       ARG   6  -0.058   3.088   6.241
   45    HD3  ARG   6          1HD       ARG   6  -0.174   4.648   5.431
   46    HE   ARG   6           HE       ARG   6  -2.577   3.224   6.301
   47   HH11  ARG   6          1HH1      ARG   6  -0.616   6.205   6.313
   48   HH12  ARG   6          2HH1      ARG   6  -1.581   6.988   7.466
   49   HH21  ARG   6          1HH2      ARG   6  -3.942   4.399   7.880
   50   HH22  ARG   6          2HH2      ARG   6  -3.479   5.982   8.332
   51    H    LYS   7           H        LYS   7  -4.396   3.575   2.443
   52    HA   LYS   7           HA       LYS   7  -5.252   1.100   3.505
   53    HB2  LYS   7          2HB       LYS   7  -6.402   3.300   3.770
   54    HB3  LYS   7          1HB       LYS   7  -6.754   3.228   2.046
   55    HG2  LYS   7          2HG       LYS   7  -8.176   1.300   2.383
   56    HG3  LYS   7          1HG       LYS   7  -7.844   1.343   4.118
   57    HD2  LYS   7          2HD       LYS   7  -8.745   3.610   4.232
   58    HD3  LYS   7          1HD       LYS   7  -9.086   3.562   2.508
   59    HE2  LYS   7          2HE       LYS   7 -10.643   1.705   2.870
   60    HE3  LYS   7          1HE       LYS   7 -10.288   1.757   4.596
   61    HZ1  LYS   7          1HZ       LYS   7 -11.477   3.967   3.023
   62    HZ2  LYS   7          2HZ       LYS   7 -11.145   4.004   4.673
   63    HZ3  LYS   7          3HZ       LYS   7 -12.331   2.950   4.070
   64    H    GLU   8           H        GLU   8  -5.635   2.564   0.318
   65    HA   GLU   8           HA       GLU   8  -6.995   0.518  -0.873
   66    HB2  GLU   8          2HB       GLU   8  -5.124   2.545  -2.110
   67    HB3  GLU   8          1HB       GLU   8  -6.140   1.466  -3.055
   68    HG2  GLU   8          2HG       GLU   8  -8.131   2.415  -2.104
   69    HG3  GLU   8          1HG       GLU   8  -7.178   3.408  -1.011
   70    H    CYS   9           H        CYS   9  -3.509   1.027  -0.624
   71    HA   CYS   9           HA       CYS   9  -2.979  -1.350  -2.136
   72    HB2  CYS   9          2HB       CYS   9  -1.157   0.594  -0.755
   73    HB3  CYS   9          1HB       CYS   9  -0.564  -0.894  -1.492
   74    H    GLU  10           H        GLU  10  -3.414  -0.606   1.160
   75    HA   GLU  10           HA       GLU  10  -2.191  -2.882   2.301
   76    HB2  GLU  10          2HB       GLU  10  -2.950  -0.909   3.578
   77    HB3  GLU  10          1HB       GLU  10  -4.608  -1.282   3.162
   78    HG2  GLU  10          2HG       GLU  10  -4.390  -3.396   4.425
   79    HG3  GLU  10          1HG       GLU  10  -2.776  -2.883   4.922
   80    H    LYS  11           H        LYS  11  -5.331  -2.186   0.947
   81    HA   LYS  11           HA       LYS  11  -6.392  -4.775   1.533
   82    HB2  LYS  11          2HB       LYS  11  -7.760  -2.689   1.341
   83    HB3  LYS  11          1HB       LYS  11  -7.444  -2.703  -0.386
   84    HG2  LYS  11          2HG       LYS  11  -8.560  -4.854  -0.580
   85    HG3  LYS  11          1HG       LYS  11  -8.886  -4.844   1.155
   86    HD2  LYS  11          2HD       LYS  11 -10.141  -2.734   0.856
   87    HD3  LYS  11          1HD       LYS  11  -9.888  -2.868  -0.884
   88    HE2  LYS  11          2HE       LYS  11 -11.057  -5.028  -0.870
   89    HE3  LYS  11          1HE       LYS  11 -11.350  -4.849   0.857
   90    HZ1  LYS  11          1HZ       LYS  11 -12.571  -2.808   0.368
   91    HZ2  LYS  11          2HZ       LYS  11 -13.267  -4.155  -0.371
   92    HZ3  LYS  11          3HZ       LYS  11 -12.345  -3.073  -1.286
   93    H    LYS  12           H        LYS  12  -5.588  -3.104  -1.525
   94    HA   LYS  12           HA       LYS  12  -5.976  -5.260  -3.254
   95    HB2  LYS  12          2HB       LYS  12  -4.147  -2.885  -3.523
   96    HB3  LYS  12          1HB       LYS  12  -4.523  -3.988  -4.844
   97    HG2  LYS  12          2HG       LYS  12  -6.848  -3.342  -4.762
   98    HG3  LYS  12          1HG       LYS  12  -6.547  -2.341  -3.339
   99    HD2  LYS  12          2HD       LYS  12  -4.999  -0.964  -4.681
  100    HD3  LYS  12          1HD       LYS  12  -5.407  -1.929  -6.101
  101    HE2  LYS  12          2HE       LYS  12  -7.730  -1.233  -5.933
  102    HE3  LYS  12          1HE       LYS  12  -7.372  -0.334  -4.459
  103    HZ1  LYS  12          1HZ       LYS  12  -7.466   1.114  -6.383
  104    HZ2  LYS  12          2HZ       LYS  12  -6.217   0.256  -7.133
  105    HZ3  LYS  12          3HZ       LYS  12  -5.922   1.106  -5.727
  106    H    TYR  13           H        TYR  13  -2.962  -4.196  -1.651
  107    HA   TYR  13           HA       TYR  13  -1.779  -6.688  -2.567
  108    HB2  TYR  13          2HB       TYR  13  -0.463  -4.255  -1.336
  109    HB3  TYR  13          1HB       TYR  13   0.380  -5.712  -1.837
  110    HD1  TYR  13          1HD       TYR  13   0.277  -6.320  -4.345
  111    HD2  TYR  13          2HD       TYR  13  -0.783  -2.502  -2.821
  112    HE1  TYR  13          1HE       TYR  13   0.625  -5.342  -6.571
  113    HE2  TYR  13          2HE       TYR  13  -0.452  -1.511  -5.038
  114    HH   TYR  13           HH       TYR  13   0.878  -2.039  -7.081
  115    H    THR  14           H        THR  14  -2.455  -8.141  -1.237
  116    HA   THR  14           HA       THR  14  -2.781  -7.656   1.572
  117    HB   THR  14           HB       THR  14  -3.015 -10.242   0.020
  118    HG1  THR  14          1HG       THR  14  -4.426  -7.925  -0.109
  119   HG21  THR  14          1HG2      THR  14  -4.361  -9.245   2.549
  120   HG22  THR  14          2HG2      THR  14  -3.057 -10.431   2.491
  121   HG23  THR  14          3HG2      THR  14  -4.628 -10.811   1.783
  122    H    ASP  15           H        ASP  15  -0.495  -8.986  -0.620
  123    HA   ASP  15           HA       ASP  15   1.121 -10.445   1.177
  124    HB2  ASP  15          2HB       ASP  15   1.368 -10.799  -1.198
  125    HB3  ASP  15          1HB       ASP  15   1.776  -9.108  -1.456
  126    HA   PRO  16           HA       PRO  16   2.623  -7.106   3.719
  127    HB2  PRO  16          2HB       PRO  16   4.941  -8.987   3.889
  128    HB3  PRO  16          1HB       PRO  16   4.119  -8.103   5.183
  129    HG2  PRO  16          2HG       PRO  16   3.588 -10.659   4.831
  130    HG3  PRO  16          1HG       PRO  16   2.267  -9.520   5.147
  131    HD2  PRO  16          2HD       PRO  16   3.071 -10.814   2.577
  132    HD3  PRO  16          1HD       PRO  16   1.453 -10.417   3.197
  133    H    LYS  17           H        LYS  17   4.957  -8.615   1.435
  134    HA   LYS  17           HA       LYS  17   6.705  -6.363   1.499
  135    HB2  LYS  17          2HB       LYS  17   7.514  -8.619   0.901
  136    HB3  LYS  17          1HB       LYS  17   6.539  -8.564  -0.563
  137    HG2  LYS  17          2HG       LYS  17   7.854  -6.556  -1.271
  138    HG3  LYS  17          1HG       LYS  17   8.908  -6.828   0.115
  139    HD2  LYS  17          2HD       LYS  17   9.436  -9.069  -0.754
  140    HD3  LYS  17          1HD       LYS  17   8.409  -8.756  -2.153
  141    HE2  LYS  17          2HE       LYS  17  10.938  -7.289  -1.392
  142    HE3  LYS  17          1HE       LYS  17  10.719  -8.382  -2.755
  143    HZ1  LYS  17          1HZ       LYS  17   9.485  -5.723  -2.370
  144    HZ2  LYS  17          2HZ       LYS  17   9.001  -6.718  -3.592
  145    HZ3  LYS  17          3HZ       LYS  17  10.592  -6.130  -3.552
  146    H    LYS  18           H        LYS  18   4.310  -7.548  -0.837
  147    HA   LYS  18           HA       LYS  18   4.645  -5.432  -2.670
  148    HB2  LYS  18          2HB       LYS  18   2.275  -7.232  -2.167
  149    HB3  LYS  18          1HB       LYS  18   2.291  -6.022  -3.439
  150    HG2  LYS  18          2HG       LYS  18   4.275  -8.272  -3.196
  151    HG3  LYS  18          1HG       LYS  18   2.861  -8.274  -4.260
  152    HD2  LYS  18          2HD       LYS  18   3.698  -6.398  -5.483
  153    HD3  LYS  18          1HD       LYS  18   5.022  -6.164  -4.356
  154    HE2  LYS  18          2HE       LYS  18   5.855  -8.416  -5.007
  155    HE3  LYS  18          1HE       LYS  18   4.630  -8.427  -6.283
  156    HZ1  LYS  18          1HZ       LYS  18   6.822  -7.585  -7.054
  157    HZ2  LYS  18          2HZ       LYS  18   6.669  -6.321  -5.928
  158    HZ3  LYS  18          3HZ       LYS  18   5.593  -6.434  -7.205
  159    H    ARG  19           H        ARG  19   2.663  -5.709   0.133
  160    HA   ARG  19           HA       ARG  19   1.245  -3.317  -0.146
  161    HB2  ARG  19          2HB       ARG  19   0.654  -5.053   1.474
  162    HB3  ARG  19          1HB       ARG  19   2.148  -4.761   2.346
  163    HG2  ARG  19          2HG       ARG  19   1.397  -2.561   2.971
  164    HG3  ARG  19          1HG       ARG  19  -0.068  -2.758   2.003
  165    HD2  ARG  19          2HD       ARG  19   0.721  -4.490   4.337
  166    HD3  ARG  19          1HD       ARG  19  -0.451  -3.174   4.407
  167    HE   ARG  19           HE       ARG  19  -1.435  -4.689   2.439
  168   HH11  ARG  19          1HH1      ARG  19  -0.230  -5.705   5.608
  169   HH12  ARG  19          2HH1      ARG  19  -1.431  -6.892   5.815
  170   HH21  ARG  19          1HH2      ARG  19  -3.094  -6.213   2.785
  171   HH22  ARG  19          2HH2      ARG  19  -3.111  -7.189   4.200
  172    H    GLU  20           H        GLU  20   4.345  -4.040   1.475
  173    HA   GLU  20           HA       GLU  20   4.888  -1.387   2.254
  174    HB2  GLU  20          2HB       GLU  20   6.799  -3.664   1.715
  175    HB3  GLU  20          1HB       GLU  20   7.264  -2.142   2.452
  176    HG2  GLU  20          2HG       GLU  20   5.346  -4.170   3.567
  177    HG3  GLU  20          1HG       GLU  20   6.980  -3.844   4.134
  178    H    GLU  21           H        GLU  21   5.628  -3.175  -0.680
  179    HA   GLU  21           HA       GLU  21   7.244  -1.339  -1.993
  180    HB2  GLU  21          2HB       GLU  21   5.171  -3.210  -3.108
  181    HB3  GLU  21          1HB       GLU  21   6.213  -2.231  -4.123
  182    HG2  GLU  21          2HG       GLU  21   8.174  -3.369  -3.156
  183    HG3  GLU  21          1HG       GLU  21   7.093  -4.360  -2.176
  184    H    CYS  22           H        CYS  22   3.693  -1.536  -2.011
  185    HA   CYS  22           HA       CYS  22   3.549   0.842  -3.550
  186    HB2  CYS  22          2HB       CYS  22   1.674  -0.737  -3.648
  187    HB3  CYS  22          1HB       CYS  22   1.339  -0.444  -1.940
  188    H    LYS  23           H        LYS  23   3.305   0.175  -0.083
  189    HA   LYS  23           HA       LYS  23   2.460   2.681   0.803
  190    HB2  LYS  23          2HB       LYS  23   4.125   0.577   2.132
  191    HB3  LYS  23          1HB       LYS  23   3.676   2.070   2.938
  192    HG2  LYS  23          2HG       LYS  23   1.354   1.533   2.806
  193    HG3  LYS  23          1HG       LYS  23   1.684   0.149   1.763
  194    HD2  LYS  23          2HD       LYS  23   1.240  -0.519   4.099
  195    HD3  LYS  23          1HD       LYS  23   2.851  -0.979   3.556
  196    HE2  LYS  23          2HE       LYS  23   3.758   1.026   4.695
  197    HE3  LYS  23          1HE       LYS  23   2.140   1.374   5.310
  198    HZ1  LYS  23          1HZ       LYS  23   2.176  -0.713   6.485
  199    HZ2  LYS  23          2HZ       LYS  23   3.547   0.160   6.908
  200    HZ3  LYS  23          3HZ       LYS  23   3.656  -1.117   5.791
  201    H    ARG  24           H        ARG  24   5.610   1.667  -0.191
  202    HA   ARG  24           HA       ARG  24   7.097   3.782   0.939
  203    HB2  ARG  24          2HB       ARG  24   8.154   1.744   0.103
  204    HB3  ARG  24          1HB       ARG  24   7.635   2.123  -1.530
  205    HG2  ARG  24          2HG       ARG  24   9.071   4.088  -1.544
  206    HG3  ARG  24          1HG       ARG  24   9.570   3.743   0.111
  207    HD2  ARG  24          2HD       ARG  24  10.572   1.672  -0.578
  208    HD3  ARG  24          1HD       ARG  24   9.973   1.884  -2.223
  209    HE   ARG  24           HE       ARG  24  11.553   4.078  -1.381
  210   HH11  ARG  24          1HH1      ARG  24  11.913   0.705  -2.380
  211   HH12  ARG  24          2HH1      ARG  24  13.350   0.972  -3.238
  212   HH21  ARG  24          1HH2      ARG  24  13.568   4.429  -2.539
  213   HH22  ARG  24          2HH2      ARG  24  14.309   3.106  -3.319
  214    H    LYS  25           H        LYS  25   5.075   3.581  -1.842
  215    HA   LYS  25           HA       LYS  25   5.976   6.190  -2.815
  216    HB2  LYS  25          2HB       LYS  25   5.807   4.382  -4.468
  217    HB3  LYS  25          1HB       LYS  25   4.119   4.151  -4.036
  218    HG2  LYS  25          2HG       LYS  25   3.589   6.383  -4.873
  219    HG3  LYS  25          1HG       LYS  25   5.282   6.636  -5.287
  220    HD2  LYS  25          2HD       LYS  25   4.008   6.014  -7.261
  221    HD3  LYS  25          1HD       LYS  25   5.165   4.748  -6.857
  222    HE2  LYS  25          2HE       LYS  25   3.392   3.435  -5.815
  223    HE3  LYS  25          1HE       LYS  25   2.226   4.714  -6.150
  224    HZ1  LYS  25          1HZ       LYS  25   2.579   4.342  -8.517
  225    HZ2  LYS  25          2HZ       LYS  25   2.140   2.900  -7.776
  226    HZ3  LYS  25          3HZ       LYS  25   3.736   3.179  -8.182
  227    H    ALA  26           H        ALA  26   3.270   4.482  -1.452
  228    HA   ALA  26           HA       ALA  26   1.325   6.483  -1.837
  229    HB1  ALA  26          1HB       ALA  26   1.343   4.234   0.164
  230    HB2  ALA  26          2HB       ALA  26   0.767   4.115  -1.498
  231    HB3  ALA  26          3HB       ALA  26  -0.062   5.166  -0.348
  Start of MODEL    4
    1    H    HIS   1           H        HIS   1   1.208   8.999  -2.499
    2    HA   HIS   1           HA       HIS   1   2.521   9.602   0.082
    3    HB2  HIS   1          2HB       HIS   1   1.448  11.545  -1.979
    4    HB3  HIS   1          1HB       HIS   1   2.257  11.980  -0.479
    5    HD1  HIS   1          1HD       HIS   1   2.949  11.584  -3.977
    6    HD2  HIS   1          2HD       HIS   1   5.003  10.814  -0.450
    7    HE1  HIS   1          1HE       HIS   1   5.376  11.426  -4.617
    8    H    ASP   2           H        ASP   2  -0.440   9.104  -1.497
    9    HA   ASP   2           HA       ASP   2  -2.225  10.614   0.070
   10    HB2  ASP   2          2HB       ASP   2  -2.684   7.954  -1.322
   11    HB3  ASP   2          1HB       ASP   2  -3.949   9.003  -0.705
   12    HA   PRO   3           HA       PRO   3  -1.875   8.479   3.988
   13    HB2  PRO   3          2HB       PRO   3  -4.432   8.947   4.924
   14    HB3  PRO   3          1HB       PRO   3  -3.113  10.117   5.014
   15    HG2  PRO   3          2HG       PRO   3  -5.322   9.907   3.010
   16    HG3  PRO   3          1HG       PRO   3  -4.657  11.352   3.794
   17    HD2  PRO   3          2HD       PRO   3  -3.990  10.719   1.291
   18    HD3  PRO   3          1HD       PRO   3  -2.786  11.386   2.417
   19    H    GLU   4           H        GLU   4  -4.334   7.823   1.708
   20    HA   GLU   4           HA       GLU   4  -5.412   5.477   2.940
   21    HB2  GLU   4          2HB       GLU   4  -5.689   6.616   0.190
   22    HB3  GLU   4          1HB       GLU   4  -6.522   5.175   0.749
   23    HG2  GLU   4          2HG       GLU   4  -7.676   6.452   2.424
   24    HG3  GLU   4          1HG       GLU   4  -6.775   7.902   1.971
   25    H    LYS   5           H        LYS   5  -2.542   6.041   1.248
   26    HA   LYS   5           HA       LYS   5  -2.262   4.020  -0.580
   27    HB2  LYS   5          2HB       LYS   5   0.184   4.175  -0.209
   28    HB3  LYS   5          1HB       LYS   5  -0.594   5.743  -0.251
   29    HG2  LYS   5          2HG       LYS   5  -0.533   5.833   2.211
   30    HG3  LYS   5          1HG       LYS   5   0.328   4.293   2.223
   31    HD2  LYS   5          2HD       LYS   5   2.150   5.316   0.928
   32    HD3  LYS   5          1HD       LYS   5   1.262   6.832   0.905
   33    HE2  LYS   5          2HE       LYS   5   1.404   7.022   3.296
   34    HE3  LYS   5          1HE       LYS   5   2.167   5.442   3.413
   35    HZ1  LYS   5          1HZ       LYS   5   3.816   7.155   3.573
   36    HZ2  LYS   5          2HZ       LYS   5   3.356   7.869   2.137
   37    HZ3  LYS   5          3HZ       LYS   5   4.056   6.338   2.137
   38    H    ARG   6           H        ARG   6  -1.755   3.761   2.858
   39    HA   ARG   6           HA       ARG   6  -0.890   1.097   2.886
   40    HB2  ARG   6          2HB       ARG   6  -1.593   1.198   5.350
   41    HB3  ARG   6          1HB       ARG   6  -0.369   2.336   4.817
   42    HG2  ARG   6          2HG       ARG   6  -2.067   4.106   4.683
   43    HG3  ARG   6          1HG       ARG   6  -3.297   2.960   5.211
   44    HD2  ARG   6          2HD       ARG   6  -2.228   2.727   7.354
   45    HD3  ARG   6          1HD       ARG   6  -0.851   3.685   6.815
   46    HE   ARG   6           HE       ARG   6  -2.503   5.529   6.553
   47   HH11  ARG   6          1HH1      ARG   6  -2.995   2.992   9.015
   48   HH12  ARG   6          2HH1      ARG   6  -3.865   4.003  10.063
   49   HH21  ARG   6          1HH2      ARG   6  -3.692   6.904   8.046
   50   HH22  ARG   6          2HH2      ARG   6  -4.293   6.263   9.499
   51    H    LYS   7           H        LYS   7  -4.102   2.460   3.483
   52    HA   LYS   7           HA       LYS   7  -5.402  -0.017   3.956
   53    HB2  LYS   7          2HB       LYS   7  -6.221   2.243   4.693
   54    HB3  LYS   7          1HB       LYS   7  -6.534   2.577   2.988
   55    HG2  LYS   7          2HG       LYS   7  -8.588   2.015   4.125
   56    HG3  LYS   7          1HG       LYS   7  -8.174   0.813   2.907
   57    HD2  LYS   7          2HD       LYS   7  -7.353  -0.695   4.622
   58    HD3  LYS   7          1HD       LYS   7  -7.658   0.524   5.864
   59    HE2  LYS   7          2HE       LYS   7  -9.429  -1.172   5.791
   60    HE3  LYS   7          1HE       LYS   7 -10.040   0.433   5.401
   61    HZ1  LYS   7          1HZ       LYS   7  -9.357  -1.661   3.405
   62    HZ2  LYS   7          2HZ       LYS   7 -10.072  -0.148   3.072
   63    HZ3  LYS   7          3HZ       LYS   7 -10.903  -1.301   3.942
   64    H    GLU   8           H        GLU   8  -5.064   2.065   1.162
   65    HA   GLU   8           HA       GLU   8  -6.770   0.801  -0.576
   66    HB2  GLU   8          2HB       GLU   8  -5.770   3.016  -0.950
   67    HB3  GLU   8          1HB       GLU   8  -4.195   2.275  -1.158
   68    HG2  GLU   8          2HG       GLU   8  -5.078   2.857  -3.305
   69    HG3  GLU   8          1HG       GLU   8  -5.048   1.103  -3.147
   70    H    CYS   9           H        CYS   9  -3.297   0.391   0.023
   71    HA   CYS   9           HA       CYS   9  -3.231  -1.664  -1.911
   72    HB2  CYS   9          2HB       CYS   9  -1.073  -0.467  -0.220
   73    HB3  CYS   9          1HB       CYS   9  -0.782  -1.829  -1.311
   74    H    GLU  10           H        GLU  10  -3.756  -1.637   1.460
   75    HA   GLU  10           HA       GLU  10  -3.191  -4.412   1.760
   76    HB2  GLU  10          2HB       GLU  10  -4.965  -2.594   3.397
   77    HB3  GLU  10          1HB       GLU  10  -4.605  -4.261   3.820
   78    HG2  GLU  10          2HG       GLU  10  -2.223  -3.690   3.939
   79    HG3  GLU  10          1HG       GLU  10  -2.628  -2.013   3.583
   80    H    LYS  11           H        LYS  11  -5.970  -2.548   0.699
   81    HA   LYS  11           HA       LYS  11  -7.463  -5.007   0.495
   82    HB2  LYS  11          2HB       LYS  11  -9.366  -3.695  -0.337
   83    HB3  LYS  11          1HB       LYS  11  -8.745  -3.061   1.161
   84    HG2  LYS  11          2HG       LYS  11  -7.631  -1.250  -0.109
   85    HG3  LYS  11          1HG       LYS  11  -8.381  -1.875  -1.586
   86    HD2  LYS  11          2HD       LYS  11 -10.599  -1.592  -0.590
   87    HD3  LYS  11          1HD       LYS  11  -9.865  -0.999   0.892
   88    HE2  LYS  11          2HE       LYS  11 -10.715   0.860  -0.368
   89    HE3  LYS  11          1HE       LYS  11  -8.959   0.927  -0.384
   90    HZ1  LYS  11          1HZ       LYS  11  -8.917   0.244  -2.637
   91    HZ2  LYS  11          2HZ       LYS  11 -10.151   1.384  -2.516
   92    HZ3  LYS  11          3HZ       LYS  11 -10.543  -0.247  -2.591
   93    H    LYS  12           H        LYS  12  -5.362  -3.307  -1.484
   94    HA   LYS  12           HA       LYS  12  -6.307  -4.628  -3.893
   95    HB2  LYS  12          2HB       LYS  12  -3.906  -2.895  -3.408
   96    HB3  LYS  12          1HB       LYS  12  -4.196  -3.710  -4.927
   97    HG2  LYS  12          2HG       LYS  12  -6.317  -2.477  -5.150
   98    HG3  LYS  12          1HG       LYS  12  -5.938  -1.617  -3.653
   99    HD2  LYS  12          2HD       LYS  12  -3.925  -0.710  -4.619
  100    HD3  LYS  12          1HD       LYS  12  -4.156  -1.666  -6.079
  101    HE2  LYS  12          2HE       LYS  12  -5.990   0.512  -5.096
  102    HE3  LYS  12          1HE       LYS  12  -4.801   0.673  -6.387
  103    HZ1  LYS  12          1HZ       LYS  12  -6.040  -1.101  -7.589
  104    HZ2  LYS  12          2HZ       LYS  12  -6.887   0.319  -7.364
  105    HZ3  LYS  12          3HZ       LYS  12  -7.247  -1.012  -6.399
  106    H    TYR  13           H        TYR  13  -3.616  -5.082  -1.613
  107    HA   TYR  13           HA       TYR  13  -2.826  -7.430  -3.204
  108    HB2  TYR  13          2HB       TYR  13  -1.030  -5.749  -1.446
  109    HB3  TYR  13          1HB       TYR  13  -0.545  -7.072  -2.488
  110    HD1  TYR  13          1HD       TYR  13  -1.503  -3.584  -2.315
  111    HD2  TYR  13          2HD       TYR  13  -0.294  -6.696  -4.928
  112    HE1  TYR  13          1HE       TYR  13  -0.998  -1.915  -4.039
  113    HE2  TYR  13          2HE       TYR  13   0.207  -5.040  -6.677
  114    HH   TYR  13           HH       TYR  13   0.318  -1.664  -5.999
  115    H    THR  14           H        THR  14  -1.929  -9.169  -1.928
  116    HA   THR  14           HA       THR  14  -2.946  -9.236   0.806
  117    HB   THR  14           HB       THR  14  -2.482 -11.754   0.470
  118    HG1  THR  14          1HG       THR  14  -1.455 -12.054  -1.329
  119   HG21  THR  14          1HG2      THR  14  -4.609 -10.403  -1.197
  120   HG22  THR  14          2HG2      THR  14  -4.745 -10.821   0.513
  121   HG23  THR  14          3HG2      THR  14  -4.624 -12.095  -0.702
  122    H    ASP  15           H        ASP  15  -0.172  -9.530  -1.239
  123    HA   ASP  15           HA       ASP  15   1.653 -10.563   0.639
  124    HB2  ASP  15          2HB       ASP  15   2.098 -10.822  -1.705
  125    HB3  ASP  15          1HB       ASP  15   2.032  -9.086  -1.963
  126    HA   PRO  16           HA       PRO  16   2.078  -6.886   3.064
  127    HB2  PRO  16          2HB       PRO  16   4.314  -7.648   4.449
  128    HB3  PRO  16          1HB       PRO  16   2.676  -8.169   4.851
  129    HG2  PRO  16          2HG       PRO  16   4.794  -9.609   3.314
  130    HG3  PRO  16          1HG       PRO  16   3.661 -10.238   4.523
  131    HD2  PRO  16          2HD       PRO  16   3.271 -10.606   1.898
  132    HD3  PRO  16          1HD       PRO  16   1.919 -10.353   3.023
  133    H    LYS  17           H        LYS  17   4.667  -8.119   1.018
  134    HA   LYS  17           HA       LYS  17   6.399  -5.896   1.473
  135    HB2  LYS  17          2HB       LYS  17   6.319  -7.734  -0.924
  136    HB3  LYS  17          1HB       LYS  17   7.637  -6.664  -0.478
  137    HG2  LYS  17          2HG       LYS  17   6.695  -9.068   1.063
  138    HG3  LYS  17          1HG       LYS  17   8.149  -8.959   0.070
  139    HD2  LYS  17          2HD       LYS  17   8.980  -7.181   1.584
  140    HD3  LYS  17          1HD       LYS  17   7.561  -7.435   2.603
  141    HE2  LYS  17          2HE       LYS  17   9.683  -9.477   1.950
  142    HE3  LYS  17          1HE       LYS  17   9.484  -8.637   3.485
  143    HZ1  LYS  17          1HZ       LYS  17   7.330  -9.739   3.756
  144    HZ2  LYS  17          2HZ       LYS  17   8.560 -10.848   3.594
  145    HZ3  LYS  17          3HZ       LYS  17   7.540 -10.560   2.294
  146    H    LYS  18           H        LYS  18   3.905  -6.692  -0.832
  147    HA   LYS  18           HA       LYS  18   4.184  -4.448  -2.541
  148    HB2  LYS  18          2HB       LYS  18   1.647  -5.940  -1.866
  149    HB3  LYS  18          1HB       LYS  18   1.939  -4.970  -3.300
  150    HG2  LYS  18          2HG       LYS  18   3.403  -7.492  -2.592
  151    HG3  LYS  18          1HG       LYS  18   2.046  -7.390  -3.713
  152    HD2  LYS  18          2HD       LYS  18   3.305  -6.073  -5.225
  153    HD3  LYS  18          1HD       LYS  18   4.615  -5.848  -4.057
  154    HE2  LYS  18          2HE       LYS  18   3.762  -8.500  -5.209
  155    HE3  LYS  18          1HE       LYS  18   5.125  -7.545  -5.792
  156    HZ1  LYS  18          1HZ       LYS  18   4.911  -8.568  -2.980
  157    HZ2  LYS  18          2HZ       LYS  18   6.243  -7.828  -3.726
  158    HZ3  LYS  18          3HZ       LYS  18   5.739  -9.332  -4.233
  159    H    ARG  19           H        ARG  19   2.416  -5.038   0.393
  160    HA   ARG  19           HA       ARG  19   0.969  -2.642   0.666
  161    HB2  ARG  19          2HB       ARG  19   0.633  -4.616   2.087
  162    HB3  ARG  19          1HB       ARG  19   2.238  -4.417   2.759
  163    HG2  ARG  19          2HG       ARG  19   1.445  -2.181   3.650
  164    HG3  ARG  19          1HG       ARG  19  -0.188  -2.694   3.202
  165    HD2  ARG  19          2HD       ARG  19   0.123  -4.733   4.541
  166    HD3  ARG  19          1HD       ARG  19   1.697  -4.142   5.063
  167    HE   ARG  19           HE       ARG  19  -0.937  -3.182   5.854
  168   HH11  ARG  19          1HH1      ARG  19   2.613  -2.746   6.162
  169   HH12  ARG  19          2HH1      ARG  19   2.494  -2.004   7.667
  170   HH21  ARG  19          1HH2      ARG  19  -1.022  -2.150   7.945
  171   HH22  ARG  19          2HH2      ARG  19   0.418  -1.638   8.694
  172    H    GLU  20           H        GLU  20   4.138  -3.609   1.928
  173    HA   GLU  20           HA       GLU  20   4.809  -1.173   3.131
  174    HB2  GLU  20          2HB       GLU  20   6.666  -3.291   2.079
  175    HB3  GLU  20          1HB       GLU  20   7.097  -2.031   3.223
  176    HG2  GLU  20          2HG       GLU  20   5.179  -4.298   3.652
  177    HG3  GLU  20          1HG       GLU  20   6.772  -4.107   4.372
  178    H    GLU  21           H        GLU  21   5.750  -2.477  -0.053
  179    HA   GLU  21           HA       GLU  21   7.213  -0.201  -0.781
  180    HB2  GLU  21          2HB       GLU  21   6.278  -2.606  -2.171
  181    HB3  GLU  21          1HB       GLU  21   6.451  -1.193  -3.199
  182    HG2  GLU  21          2HG       GLU  21   8.478  -2.561  -3.208
  183    HG3  GLU  21          1HG       GLU  21   8.778  -0.966  -2.542
  184    H    CYS  22           H        CYS  22   3.793  -0.914  -1.059
  185    HA   CYS  22           HA       CYS  22   3.198   1.259  -2.762
  186    HB2  CYS  22          2HB       CYS  22   1.581  -0.537  -2.394
  187    HB3  CYS  22          1HB       CYS  22   1.472  -0.108  -0.690
  188    H    LYS  23           H        LYS  23   3.316   0.867   0.721
  189    HA   LYS  23           HA       LYS  23   2.556   3.444   1.517
  190    HB2  LYS  23          2HB       LYS  23   2.612   1.513   3.025
  191    HB3  LYS  23          1HB       LYS  23   4.347   1.384   2.816
  192    HG2  LYS  23          2HG       LYS  23   4.676   3.463   4.025
  193    HG3  LYS  23          1HG       LYS  23   2.932   3.689   4.149
  194    HD2  LYS  23          2HD       LYS  23   3.903   2.801   6.244
  195    HD3  LYS  23          1HD       LYS  23   2.735   1.691   5.531
  196    HE2  LYS  23          2HE       LYS  23   4.561   0.353   4.606
  197    HE3  LYS  23          1HE       LYS  23   5.737   1.489   5.264
  198    HZ1  LYS  23          1HZ       LYS  23   5.127   0.856   7.461
  199    HZ2  LYS  23          2HZ       LYS  23   5.404  -0.571   6.584
  200    HZ3  LYS  23          3HZ       LYS  23   3.837  -0.081   6.922
  201    H    ARG  24           H        ARG  24   5.431   2.177   0.213
  202    HA   ARG  24           HA       ARG  24   7.229   4.336   0.962
  203    HB2  ARG  24          2HB       ARG  24   7.842   1.934   0.930
  204    HB3  ARG  24          1HB       ARG  24   7.520   1.904  -0.785
  205    HG2  ARG  24          2HG       ARG  24   9.388   3.481  -1.115
  206    HG3  ARG  24          1HG       ARG  24   9.738   3.371   0.618
  207    HD2  ARG  24          2HD       ARG  24   9.914   0.908   0.382
  208    HD3  ARG  24          1HD       ARG  24   9.700   1.089  -1.350
  209    HE   ARG  24           HE       ARG  24  11.832   2.679  -0.662
  210   HH11  ARG  24          1HH1      ARG  24  11.019  -0.787  -0.602
  211   HH12  ARG  24          2HH1      ARG  24  12.654  -1.285  -0.674
  212   HH21  ARG  24          1HH2      ARG  24  14.082   1.923  -0.753
  213   HH22  ARG  24          2HH2      ARG  24  14.390   0.242  -0.750
  214    H    LYS  25           H        LYS  25   4.947   3.724  -1.475
  215    HA   LYS  25           HA       LYS  25   6.448   5.205  -3.516
  216    HB2  LYS  25          2HB       LYS  25   5.779   2.965  -4.203
  217    HB3  LYS  25          1HB       LYS  25   4.105   3.331  -3.822
  218    HG2  LYS  25          2HG       LYS  25   4.048   4.998  -5.591
  219    HG3  LYS  25          1HG       LYS  25   5.742   4.677  -5.960
  220    HD2  LYS  25          2HD       LYS  25   5.183   2.376  -6.556
  221    HD3  LYS  25          1HD       LYS  25   3.492   2.678  -6.155
  222    HE2  LYS  25          2HE       LYS  25   3.881   2.801  -8.573
  223    HE3  LYS  25          1HE       LYS  25   3.348   4.345  -7.918
  224    HZ1  LYS  25          1HZ       LYS  25   5.184   4.583  -9.495
  225    HZ2  LYS  25          2HZ       LYS  25   6.176   3.639  -8.517
  226    HZ3  LYS  25          3HZ       LYS  25   5.611   5.135  -7.971
  227    H    ALA  26           H        ALA  26   3.127   4.888  -2.262
  228    HA   ALA  26           HA       ALA  26   2.373   7.306  -3.652
  229    HB1  ALA  26          1HB       ALA  26   0.812   5.435  -3.593
  230    HB2  ALA  26          2HB       ALA  26   0.118   6.845  -2.787
  231    HB3  ALA  26          3HB       ALA  26   0.776   5.513  -1.836
  Start of MODEL    5
    1    H    HIS   1           H        HIS   1   1.849   8.592  -0.828
    2    HA   HIS   1           HA       HIS   1   2.454   7.840   1.959
    3    HB2  HIS   1          2HB       HIS   1   2.641  10.564   0.662
    4    HB3  HIS   1          1HB       HIS   1   2.808  10.286   2.388
    5    HD1  HIS   1          1HD       HIS   1   5.068  11.495   0.482
    6    HD2  HIS   1          2HD       HIS   1   4.809   7.578   1.847
    7    HE1  HIS   1          1HE       HIS   1   7.401  10.615   0.456
    8    H    ASP   2           H        ASP   2   0.098   8.876  -0.203
    9    HA   ASP   2           HA       ASP   2  -1.620  10.199   1.630
   10    HB2  ASP   2          2HB       ASP   2  -2.179   8.941  -1.065
   11    HB3  ASP   2          1HB       ASP   2  -3.399   9.770  -0.115
   12    HA   PRO   3           HA       PRO   3  -2.977   6.677   3.843
   13    HB2  PRO   3          2HB       PRO   3  -5.338   7.695   4.815
   14    HB3  PRO   3          1HB       PRO   3  -3.755   8.065   5.502
   15    HG2  PRO   3          2HG       PRO   3  -5.433   9.659   3.628
   16    HG3  PRO   3          1HG       PRO   3  -4.443  10.210   4.991
   17    HD2  PRO   3          2HD       PRO   3  -3.663  10.421   2.405
   18    HD3  PRO   3          1HD       PRO   3  -2.505  10.191   3.732
   19    H    GLU   4           H        GLU   4  -4.960   8.239   1.485
   20    HA   GLU   4           HA       GLU   4  -7.034   6.326   1.245
   21    HB2  GLU   4          2HB       GLU   4  -5.842   8.105  -0.865
   22    HB3  GLU   4          1HB       GLU   4  -7.400   7.305  -0.969
   23    HG2  GLU   4          2HG       GLU   4  -6.649   9.449   1.001
   24    HG3  GLU   4          1HG       GLU   4  -7.592   9.693  -0.465
   25    H    LYS   5           H        LYS   5  -4.056   6.885  -0.611
   26    HA   LYS   5           HA       LYS   5  -4.391   4.622  -2.249
   27    HB2  LYS   5          2HB       LYS   5  -2.879   6.689  -2.760
   28    HB3  LYS   5          1HB       LYS   5  -1.757   5.939  -1.661
   29    HG2  LYS   5          2HG       LYS   5  -1.168   5.415  -3.962
   30    HG3  LYS   5          1HG       LYS   5  -1.592   3.960  -3.058
   31    HD2  LYS   5          2HD       LYS   5  -3.886   4.086  -4.047
   32    HD3  LYS   5          1HD       LYS   5  -3.338   5.450  -5.021
   33    HE2  LYS   5          2HE       LYS   5  -1.690   4.013  -6.095
   34    HE3  LYS   5          1HE       LYS   5  -2.187   2.666  -5.074
   35    HZ1  LYS   5          1HZ       LYS   5  -3.293   2.450  -7.182
   36    HZ2  LYS   5          2HZ       LYS   5  -3.866   4.031  -7.115
   37    HZ3  LYS   5          3HZ       LYS   5  -4.417   2.884  -6.007
   38    H    ARG   6           H        ARG   6  -2.557   5.229   0.703
   39    HA   ARG   6           HA       ARG   6  -1.168   2.806   0.890
   40    HB2  ARG   6          2HB       ARG   6  -0.946   4.854   2.405
   41    HB3  ARG   6          1HB       ARG   6  -2.360   4.249   3.257
   42    HG2  ARG   6          2HG       ARG   6  -0.909   2.038   3.373
   43    HG3  ARG   6          1HG       ARG   6   0.418   3.188   3.207
   44    HD2  ARG   6          2HD       ARG   6   0.056   2.896   5.537
   45    HD3  ARG   6          1HD       ARG   6  -0.630   4.472   5.120
   46    HE   ARG   6           HE       ARG   6  -2.369   2.104   5.189
   47   HH11  ARG   6          1HH1      ARG   6  -1.517   5.210   6.690
   48   HH12  ARG   6          2HH1      ARG   6  -2.977   5.314   7.533
   49   HH21  ARG   6          1HH2      ARG   6  -4.226   2.214   6.314
   50   HH22  ARG   6          2HH2      ARG   6  -4.628   3.532   7.327
   51    H    LYS   7           H        LYS   7  -4.397   3.738   2.008
   52    HA   LYS   7           HA       LYS   7  -5.108   1.377   3.350
   53    HB2  LYS   7          2HB       LYS   7  -6.328   3.586   3.452
   54    HB3  LYS   7          1HB       LYS   7  -6.941   3.209   1.843
   55    HG2  LYS   7          2HG       LYS   7  -8.633   2.690   3.475
   56    HG3  LYS   7          1HG       LYS   7  -8.036   1.207   2.735
   57    HD2  LYS   7          2HD       LYS   7  -6.615   0.786   4.664
   58    HD3  LYS   7          1HD       LYS   7  -7.151   2.303   5.392
   59    HE2  LYS   7          2HE       LYS   7  -9.446   1.442   5.435
   60    HE3  LYS   7          1HE       LYS   7  -8.878  -0.082   4.751
   61    HZ1  LYS   7          1HZ       LYS   7  -7.506  -0.388   6.734
   62    HZ2  LYS   7          2HZ       LYS   7  -9.132  -0.225   7.131
   63    HZ3  LYS   7          3HZ       LYS   7  -8.081   1.065   7.369
   64    H    GLU   8           H        GLU   8  -5.655   2.471   0.036
   65    HA   GLU   8           HA       GLU   8  -7.113   0.322  -0.876
   66    HB2  GLU   8          2HB       GLU   8  -6.893   2.269  -2.275
   67    HB3  GLU   8          1HB       GLU   8  -5.147   2.072  -2.369
   68    HG2  GLU   8          2HG       GLU   8  -5.464  -0.020  -3.603
   69    HG3  GLU   8          1HG       GLU   8  -7.204   0.207  -3.532
   70    H    CYS   9           H        CYS   9  -3.623   0.817  -0.798
   71    HA   CYS   9           HA       CYS   9  -2.972  -1.589  -2.018
   72    HB2  CYS   9          2HB       CYS   9  -1.334   0.142  -0.189
   73    HB3  CYS   9          1HB       CYS   9  -0.692  -1.234  -1.080
   74    H    GLU  10           H        GLU  10  -3.419  -0.765   1.388
   75    HA   GLU  10           HA       GLU  10  -2.447  -3.197   2.464
   76    HB2  GLU  10          2HB       GLU  10  -4.521  -1.318   3.588
   77    HB3  GLU  10          1HB       GLU  10  -3.731  -2.606   4.478
   78    HG2  GLU  10          2HG       GLU  10  -1.585  -1.467   4.184
   79    HG3  GLU  10          1HG       GLU  10  -2.409  -0.166   3.319
   80    H    LYS  11           H        LYS  11  -5.577  -2.170   1.300
   81    HA   LYS  11           HA       LYS  11  -6.948  -4.476   2.298
   82    HB2  LYS  11          2HB       LYS  11  -8.017  -2.230   2.004
   83    HB3  LYS  11          1HB       LYS  11  -7.852  -2.405   0.274
   84    HG2  LYS  11          2HG       LYS  11  -9.488  -4.309   1.954
   85    HG3  LYS  11          1HG       LYS  11 -10.150  -2.834   1.269
   86    HD2  LYS  11          2HD       LYS  11  -9.638  -3.656  -0.987
   87    HD3  LYS  11          1HD       LYS  11  -8.927  -5.112  -0.294
   88    HE2  LYS  11          2HE       LYS  11 -11.205  -5.520  -1.090
   89    HE3  LYS  11          1HE       LYS  11 -11.082  -5.731   0.654
   90    HZ1  LYS  11          1HZ       LYS  11 -12.062  -3.544   0.952
   91    HZ2  LYS  11          2HZ       LYS  11 -13.065  -4.508   0.020
   92    HZ3  LYS  11          3HZ       LYS  11 -12.150  -3.314  -0.714
   93    H    LYS  12           H        LYS  12  -5.931  -3.349  -0.890
   94    HA   LYS  12           HA       LYS  12  -7.014  -5.650  -2.175
   95    HB2  LYS  12          2HB       LYS  12  -5.295  -3.440  -3.222
   96    HB3  LYS  12          1HB       LYS  12  -6.029  -4.694  -4.225
   97    HG2  LYS  12          2HG       LYS  12  -8.267  -3.904  -3.428
   98    HG3  LYS  12          1HG       LYS  12  -7.448  -2.605  -2.567
   99    HD2  LYS  12          2HD       LYS  12  -8.289  -1.766  -4.672
  100    HD3  LYS  12          1HD       LYS  12  -6.526  -1.807  -4.726
  101    HE2  LYS  12          2HE       LYS  12  -6.622  -3.920  -5.950
  102    HE3  LYS  12          1HE       LYS  12  -8.383  -3.871  -5.900
  103    HZ1  LYS  12          1HZ       LYS  12  -7.583  -3.124  -7.991
  104    HZ2  LYS  12          2HZ       LYS  12  -6.585  -1.965  -7.293
  105    HZ3  LYS  12          3HZ       LYS  12  -8.258  -1.787  -7.216
  106    H    TYR  13           H        TYR  13  -3.779  -4.815  -1.053
  107    HA   TYR  13           HA       TYR  13  -2.822  -7.227  -2.394
  108    HB2  TYR  13          2HB       TYR  13  -1.212  -4.967  -1.184
  109    HB3  TYR  13          1HB       TYR  13  -0.555  -6.382  -1.991
  110    HD1  TYR  13          1HD       TYR  13  -0.940  -6.656  -4.478
  111    HD2  TYR  13          2HD       TYR  13  -1.912  -3.125  -2.370
  112    HE1  TYR  13          1HE       TYR  13  -1.024  -5.444  -6.592
  113    HE2  TYR  13          2HE       TYR  13  -2.005  -1.864  -4.483
  114    HH   TYR  13           HH       TYR  13  -0.988  -2.111  -6.757
  115    H    THR  14           H        THR  14  -2.474  -8.918  -1.221
  116    HA   THR  14           HA       THR  14  -2.541  -8.661   1.675
  117    HB   THR  14           HB       THR  14  -2.521 -11.185  -0.008
  118    HG1  THR  14          1HG       THR  14  -4.580  -9.469   0.883
  119   HG21  THR  14          1HG2      THR  14  -1.938 -11.508   2.375
  120   HG22  THR  14          2HG2      THR  14  -3.511 -12.214   2.002
  121   HG23  THR  14          3HG2      THR  14  -3.415 -10.666   2.843
  122    H    ASP  15           H        ASP  15  -0.417  -9.314  -0.972
  123    HA   ASP  15           HA       ASP  15   1.655 -10.643   0.372
  124    HB2  ASP  15          2HB       ASP  15   1.496 -10.681  -2.029
  125    HB3  ASP  15          1HB       ASP  15   1.639  -8.932  -2.105
  126    HA   PRO  16           HA       PRO  16   3.089  -7.358   3.010
  127    HB2  PRO  16          2HB       PRO  16   5.648  -8.839   2.916
  128    HB3  PRO  16          1HB       PRO  16   4.677  -8.361   4.309
  129    HG2  PRO  16          2HG       PRO  16   4.757 -10.893   3.482
  130    HG3  PRO  16          1HG       PRO  16   3.271 -10.172   4.123
  131    HD2  PRO  16          2HD       PRO  16   4.010 -10.790   1.305
  132    HD3  PRO  16          1HD       PRO  16   2.441 -10.877   2.135
  133    H    LYS  17           H        LYS  17   5.179  -8.492   0.363
  134    HA   LYS  17           HA       LYS  17   6.850  -6.219   0.463
  135    HB2  LYS  17          2HB       LYS  17   7.580  -8.344  -0.550
  136    HB3  LYS  17          1HB       LYS  17   6.407  -8.131  -1.835
  137    HG2  LYS  17          2HG       LYS  17   8.643  -7.551  -2.599
  138    HG3  LYS  17          1HG       LYS  17   7.596  -6.136  -2.605
  139    HD2  LYS  17          2HD       LYS  17   9.813  -5.568  -1.755
  140    HD3  LYS  17          1HD       LYS  17   8.608  -5.386  -0.488
  141    HE2  LYS  17          2HE       LYS  17  10.626  -6.438   0.382
  142    HE3  LYS  17          1HE       LYS  17   9.278  -7.565   0.446
  143    HZ1  LYS  17          1HZ       LYS  17  11.281  -8.635  -0.350
  144    HZ2  LYS  17          2HZ       LYS  17  11.436  -7.538  -1.602
  145    HZ3  LYS  17          3HZ       LYS  17  10.136  -8.618  -1.579
  146    H    LYS  18           H        LYS  18   3.958  -6.977  -1.365
  147    HA   LYS  18           HA       LYS  18   3.981  -4.692  -3.075
  148    HB2  LYS  18          2HB       LYS  18   1.535  -6.070  -1.972
  149    HB3  LYS  18          1HB       LYS  18   1.618  -5.097  -3.431
  150    HG2  LYS  18          2HG       LYS  18   3.010  -7.714  -2.994
  151    HG3  LYS  18          1HG       LYS  18   1.494  -7.500  -3.869
  152    HD2  LYS  18          2HD       LYS  18   2.564  -6.274  -5.560
  153    HD3  LYS  18          1HD       LYS  18   4.073  -6.147  -4.634
  154    HE2  LYS  18          2HE       LYS  18   2.846  -8.721  -5.647
  155    HE3  LYS  18          1HE       LYS  18   4.199  -7.879  -6.401
  156    HZ1  LYS  18          1HZ       LYS  18   4.819  -9.764  -4.893
  157    HZ2  LYS  18          2HZ       LYS  18   4.316  -8.837  -3.568
  158    HZ3  LYS  18          3HZ       LYS  18   5.556  -8.302  -4.560
  159    H    ARG  19           H        ARG  19   2.618  -5.303   0.083
  160    HA   ARG  19           HA       ARG  19   1.306  -2.822   0.437
  161    HB2  ARG  19          2HB       ARG  19   0.831  -4.934   1.684
  162    HB3  ARG  19          1HB       ARG  19   2.362  -4.754   2.514
  163    HG2  ARG  19          2HG       ARG  19   1.574  -2.747   3.610
  164    HG3  ARG  19          1HG       ARG  19   0.064  -2.812   2.694
  165    HD2  ARG  19          2HD       ARG  19  -0.415  -5.017   3.699
  166    HD3  ARG  19          1HD       ARG  19   1.044  -4.876   4.671
  167    HE   ARG  19           HE       ARG  19  -0.265  -2.651   5.331
  168   HH11  ARG  19          1HH1      ARG  19  -1.304  -6.062   5.254
  169   HH12  ARG  19          2HH1      ARG  19  -2.536  -5.821   6.415
  170   HH21  ARG  19          1HH2      ARG  19  -2.003  -2.369   6.878
  171   HH22  ARG  19          2HH2      ARG  19  -2.911  -3.720   7.376
  172    H    GLU  20           H        GLU  20   4.456  -4.056   1.418
  173    HA   GLU  20           HA       GLU  20   5.460  -1.832   2.783
  174    HB2  GLU  20          2HB       GLU  20   6.449  -4.057   2.856
  175    HB3  GLU  20          1HB       GLU  20   6.866  -3.937   1.156
  176    HG2  GLU  20          2HG       GLU  20   8.331  -2.024   1.707
  177    HG3  GLU  20          1HG       GLU  20   7.988  -2.312   3.414
  178    H    GLU  21           H        GLU  21   5.843  -2.846  -0.627
  179    HA   GLU  21           HA       GLU  21   7.398  -0.804  -1.572
  180    HB2  GLU  21          2HB       GLU  21   6.873  -2.866  -2.768
  181    HB3  GLU  21          1HB       GLU  21   5.191  -2.358  -2.872
  182    HG2  GLU  21          2HG       GLU  21   5.833  -0.475  -4.204
  183    HG3  GLU  21          1HG       GLU  21   7.522  -1.001  -4.118
  184    H    CYS  22           H        CYS  22   3.880  -1.094  -1.325
  185    HA   CYS  22           HA       CYS  22   3.382   1.316  -2.623
  186    HB2  CYS  22          2HB       CYS  22   1.651  -0.419  -2.417
  187    HB3  CYS  22          1HB       CYS  22   1.550  -0.098  -0.688
  188    H    LYS  23           H        LYS  23   3.714   0.597   0.878
  189    HA   LYS  23           HA       LYS  23   3.005   3.276   1.566
  190    HB2  LYS  23          2HB       LYS  23   3.735   2.793   3.838
  191    HB3  LYS  23          1HB       LYS  23   2.785   1.458   3.208
  192    HG2  LYS  23          2HG       LYS  23   4.815   0.185   2.805
  193    HG3  LYS  23          1HG       LYS  23   5.789   1.536   3.377
  194    HD2  LYS  23          2HD       LYS  23   5.577  -0.114   5.136
  195    HD3  LYS  23          1HD       LYS  23   4.703   1.348   5.587
  196    HE2  LYS  23          2HE       LYS  23   2.594   0.309   4.936
  197    HE3  LYS  23          1HE       LYS  23   3.453  -1.140   4.415
  198    HZ1  LYS  23          1HZ       LYS  23   3.287  -0.078   7.177
  199    HZ2  LYS  23          2HZ       LYS  23   4.215  -1.415   6.704
  200    HZ3  LYS  23          3HZ       LYS  23   2.538  -1.469   6.582
  201    H    ARG  24           H        ARG  24   5.880   1.934   0.362
  202    HA   ARG  24           HA       ARG  24   7.508   4.165   1.277
  203    HB2  ARG  24          2HB       ARG  24   8.156   1.787  -0.469
  204    HB3  ARG  24          1HB       ARG  24   9.308   3.057  -0.084
  205    HG2  ARG  24          2HG       ARG  24   9.118   2.508   2.288
  206    HG3  ARG  24          1HG       ARG  24   7.965   1.233   1.896
  207    HD2  ARG  24          2HD       ARG  24   9.637   0.049   0.622
  208    HD3  ARG  24          1HD       ARG  24  10.790   1.362   0.851
  209    HE   ARG  24           HE       ARG  24  10.123   0.631   3.368
  210   HH11  ARG  24          1HH1      ARG  24  11.400  -1.174   0.606
  211   HH12  ARG  24          2HH1      ARG  24  12.274  -2.286   1.555
  212   HH21  ARG  24          1HH2      ARG  24  11.334  -0.875   4.664
  213   HH22  ARG  24          2HH2      ARG  24  12.242  -2.112   3.920
  214    H    LYS  25           H        LYS  25   5.268   3.779  -0.987
  215    HA   LYS  25           HA       LYS  25   6.611   5.510  -2.950
  216    HB2  LYS  25          2HB       LYS  25   6.246   3.329  -3.900
  217    HB3  LYS  25          1HB       LYS  25   4.593   3.307  -3.325
  218    HG2  LYS  25          2HG       LYS  25   3.921   4.910  -4.944
  219    HG3  LYS  25          1HG       LYS  25   5.593   5.247  -5.395
  220    HD2  LYS  25          2HD       LYS  25   4.412   3.797  -7.031
  221    HD3  LYS  25          1HD       LYS  25   5.839   3.041  -6.337
  222    HE2  LYS  25          2HE       LYS  25   4.400   1.761  -4.797
  223    HE3  LYS  25          1HE       LYS  25   2.977   2.527  -5.496
  224    HZ1  LYS  25          1HZ       LYS  25   3.393   0.290  -6.424
  225    HZ2  LYS  25          2HZ       LYS  25   4.883   0.792  -7.001
  226    HZ3  LYS  25          3HZ       LYS  25   3.476   1.469  -7.605
  227    H    ALA  26           H        ALA  26   3.469   4.594  -1.640
  228    HA   ALA  26           HA       ALA  26   2.369   7.179  -2.356
  229    HB1  ALA  26          1HB       ALA  26   1.112   5.191  -2.982
  230    HB2  ALA  26          2HB       ALA  26   0.253   6.136  -1.764
  231    HB3  ALA  26          3HB       ALA  26   1.102   4.661  -1.298
  Start of MODEL    6
    1    H    HIS   1           H        HIS   1   1.351   8.807  -1.782
    2    HA   HIS   1           HA       HIS   1   2.748   9.968   0.449
    3    HB2  HIS   1          2HB       HIS   1   0.799  11.223  -1.511
    4    HB3  HIS   1          1HB       HIS   1   1.848  12.094  -0.401
    5    HD1  HIS   1          1HD       HIS   1   1.666  11.465  -3.852
    6    HD2  HIS   1          2HD       HIS   1   4.721  11.130  -1.043
    7    HE1  HIS   1          1HE       HIS   1   3.805  11.547  -5.146
    8    H    ASP   2           H        ASP   2  -0.514   9.300  -0.594
    9    HA   ASP   2           HA       ASP   2  -1.669  10.316   1.859
   10    HB2  ASP   2          2HB       ASP   2  -2.921   8.953  -0.520
   11    HB3  ASP   2          1HB       ASP   2  -3.838   9.426   0.894
   12    HA   PRO   3           HA       PRO   3  -1.352   6.394   3.980
   13    HB2  PRO   3          2HB       PRO   3  -3.361   6.857   5.812
   14    HB3  PRO   3          1HB       PRO   3  -1.720   7.491   5.975
   15    HG2  PRO   3          2HG       PRO   3  -4.182   8.843   4.945
   16    HG3  PRO   3          1HG       PRO   3  -2.919   9.481   6.014
   17    HD2  PRO   3          2HD       PRO   3  -2.999  10.087   3.392
   18    HD3  PRO   3          1HD       PRO   3  -1.453   9.868   4.251
   19    H    GLU   4           H        GLU   4  -4.171   7.670   2.543
   20    HA   GLU   4           HA       GLU   4  -5.924   5.462   2.836
   21    HB2  GLU   4          2HB       GLU   4  -5.889   7.634   0.739
   22    HB3  GLU   4          1HB       GLU   4  -7.245   6.576   1.108
   23    HG2  GLU   4          2HG       GLU   4  -7.419   7.513   3.324
   24    HG3  GLU   4          1HG       GLU   4  -6.007   8.526   3.034
   25    H    LYS   5           H        LYS   5  -3.420   6.313   0.515
   26    HA   LYS   5           HA       LYS   5  -4.304   4.358  -1.401
   27    HB2  LYS   5          2HB       LYS   5  -1.714   5.909  -1.327
   28    HB3  LYS   5          1HB       LYS   5  -2.304   4.965  -2.686
   29    HG2  LYS   5          2HG       LYS   5  -3.558   7.441  -1.533
   30    HG3  LYS   5          1HG       LYS   5  -2.701   7.304  -3.074
   31    HD2  LYS   5          2HD       LYS   5  -4.439   5.827  -3.912
   32    HD3  LYS   5          1HD       LYS   5  -5.247   5.869  -2.345
   33    HE2  LYS   5          2HE       LYS   5  -5.500   8.328  -2.611
   34    HE3  LYS   5          1HE       LYS   5  -4.830   8.166  -4.234
   35    HZ1  LYS   5          1HZ       LYS   5  -6.682   6.702  -4.792
   36    HZ2  LYS   5          2HZ       LYS   5  -7.229   8.210  -4.297
   37    HZ3  LYS   5          3HZ       LYS   5  -7.321   6.904  -3.246
   38    H    ARG   6           H        ARG   6  -1.812   4.546   1.044
   39    HA   ARG   6           HA       ARG   6  -0.592   2.087   0.319
   40    HB2  ARG   6          2HB       ARG   6   0.565   2.153   2.448
   41    HB3  ARG   6          1HB       ARG   6   0.515   3.783   1.797
   42    HG2  ARG   6          2HG       ARG   6  -1.363   4.300   3.280
   43    HG3  ARG   6          1HG       ARG   6  -1.263   2.672   3.940
   44    HD2  ARG   6          2HD       ARG   6   1.037   3.145   4.664
   45    HD3  ARG   6          1HD       ARG   6   0.853   4.800   4.070
   46    HE   ARG   6           HE       ARG   6  -1.014   3.735   6.026
   47   HH11  ARG   6          1HH1      ARG   6   1.435   6.156   5.171
   48   HH12  ARG   6          2HH1      ARG   6   1.349   6.976   6.648
   49   HH21  ARG   6          1HH2      ARG   6  -1.179   4.915   8.059
   50   HH22  ARG   6          2HH2      ARG   6  -0.200   6.277   8.325
   51    H    LYS   7           H        LYS   7  -3.288   2.952   2.377
   52    HA   LYS   7           HA       LYS   7  -3.717   0.417   3.553
   53    HB2  LYS   7          2HB       LYS   7  -4.685   2.630   4.334
   54    HB3  LYS   7          1HB       LYS   7  -5.760   2.527   2.942
   55    HG2  LYS   7          2HG       LYS   7  -6.928   1.789   4.903
   56    HG3  LYS   7          1HG       LYS   7  -6.685   0.441   3.803
   57    HD2  LYS   7          2HD       LYS   7  -4.820  -0.379   5.119
   58    HD3  LYS   7          1HD       LYS   7  -4.925   1.016   6.192
   59    HE2  LYS   7          2HE       LYS   7  -7.139   0.288   6.913
   60    HE3  LYS   7          1HE       LYS   7  -7.050  -1.089   5.815
   61    HZ1  LYS   7          1HZ       LYS   7  -5.158  -1.910   7.034
   62    HZ2  LYS   7          2HZ       LYS   7  -6.462  -1.716   8.089
   63    HZ3  LYS   7          3HZ       LYS   7  -5.199  -0.603   8.093
   64    H    GLU   8           H        GLU   8  -4.987   2.074   0.705
   65    HA   GLU   8           HA       GLU   8  -6.641   0.011   0.008
   66    HB2  GLU   8          2HB       GLU   8  -5.567   2.324  -1.509
   67    HB3  GLU   8          1HB       GLU   8  -6.381   1.050  -2.404
   68    HG2  GLU   8          2HG       GLU   8  -7.533   2.651  -0.130
   69    HG3  GLU   8          1HG       GLU   8  -7.937   2.810  -1.841
   70    H    CYS   9           H        CYS   9  -3.248   0.506  -0.671
   71    HA   CYS   9           HA       CYS   9  -3.075  -1.704  -2.455
   72    HB2  CYS   9          2HB       CYS   9  -0.942  -0.259  -0.893
   73    HB3  CYS   9          1HB       CYS   9  -0.598  -1.557  -2.033
   74    H    GLU  10           H        GLU  10  -2.839  -1.342   1.002
   75    HA   GLU  10           HA       GLU  10  -1.903  -3.911   1.711
   76    HB2  GLU  10          2HB       GLU  10  -2.082  -1.913   3.227
   77    HB3  GLU  10          1HB       GLU  10  -3.819  -2.081   3.165
   78    HG2  GLU  10          2HG       GLU  10  -3.618  -4.315   4.173
   79    HG3  GLU  10          1HG       GLU  10  -1.887  -4.049   4.343
   80    H    LYS  11           H        LYS  11  -4.952  -2.568   0.927
   81    HA   LYS  11           HA       LYS  11  -6.542  -4.891   1.464
   82    HB2  LYS  11          2HB       LYS  11  -7.527  -2.779   1.827
   83    HB3  LYS  11          1HB       LYS  11  -6.993  -2.181   0.278
   84    HG2  LYS  11          2HG       LYS  11  -8.659  -3.420  -0.857
   85    HG3  LYS  11          1HG       LYS  11  -9.109  -4.283   0.627
   86    HD2  LYS  11          2HD       LYS  11 -10.026  -2.370   1.599
   87    HD3  LYS  11          1HD       LYS  11  -9.178  -1.291   0.494
   88    HE2  LYS  11          2HE       LYS  11 -11.402  -3.165  -0.299
   89    HE3  LYS  11          1HE       LYS  11 -11.608  -1.454   0.077
   90    HZ1  LYS  11          1HZ       LYS  11 -10.035  -2.599  -2.172
   91    HZ2  LYS  11          2HZ       LYS  11  -9.987  -0.976  -1.697
   92    HZ3  LYS  11          3HZ       LYS  11 -11.426  -1.619  -2.257
   93    H    LYS  12           H        LYS  12  -5.314  -3.274  -1.426
   94    HA   LYS  12           HA       LYS  12  -6.481  -4.891  -3.406
   95    HB2  LYS  12          2HB       LYS  12  -5.463  -2.679  -3.824
   96    HB3  LYS  12          1HB       LYS  12  -3.885  -3.351  -3.468
   97    HG2  LYS  12          2HG       LYS  12  -4.001  -4.759  -5.445
   98    HG3  LYS  12          1HG       LYS  12  -5.629  -4.169  -5.792
   99    HD2  LYS  12          2HD       LYS  12  -4.726  -1.871  -5.963
  100    HD3  LYS  12          1HD       LYS  12  -3.106  -2.509  -5.698
  101    HE2  LYS  12          2HE       LYS  12  -4.906  -3.279  -7.996
  102    HE3  LYS  12          1HE       LYS  12  -3.651  -2.054  -8.086
  103    HZ1  LYS  12          1HZ       LYS  12  -1.993  -3.781  -7.632
  104    HZ2  LYS  12          2HZ       LYS  12  -2.916  -4.149  -8.979
  105    HZ3  LYS  12          3HZ       LYS  12  -3.221  -4.946  -7.540
  106    H    TYR  13           H        TYR  13  -3.273  -5.051  -1.897
  107    HA   TYR  13           HA       TYR  13  -2.826  -7.631  -3.202
  108    HB2  TYR  13          2HB       TYR  13  -0.903  -5.830  -1.714
  109    HB3  TYR  13          1HB       TYR  13  -0.486  -7.338  -2.510
  110    HD1  TYR  13          1HD       TYR  13  -1.068  -3.807  -2.905
  111    HD2  TYR  13          2HD       TYR  13  -0.576  -7.465  -5.000
  112    HE1  TYR  13          1HE       TYR  13  -0.617  -2.556  -4.967
  113    HE2  TYR  13          2HE       TYR  13  -0.129  -6.241  -7.059
  114    HH   TYR  13           HH       TYR  13   0.613  -3.033  -7.147
  115    H    THR  14           H        THR  14  -2.526  -9.424  -1.973
  116    HA   THR  14           HA       THR  14  -3.288  -9.203   0.819
  117    HB   THR  14           HB       THR  14  -4.281 -11.018  -0.609
  118    HG1  THR  14          1HG       THR  14  -4.250 -11.534   1.521
  119   HG21  THR  14          1HG2      THR  14  -1.459 -12.083  -0.684
  120   HG22  THR  14          2HG2      THR  14  -2.392 -11.482  -2.057
  121   HG23  THR  14          3HG2      THR  14  -2.887 -12.957  -1.234
  122    H    ASP  15           H        ASP  15  -0.584  -9.107  -1.045
  123    HA   ASP  15           HA       ASP  15   1.285 -10.429   0.699
  124    HB2  ASP  15          2HB       ASP  15   1.526 -10.407  -1.768
  125    HB3  ASP  15          1HB       ASP  15   1.750  -8.667  -1.714
  126    HA   PRO  16           HA       PRO  16   1.611  -6.764   3.359
  127    HB2  PRO  16          2HB       PRO  16   3.964  -8.278   4.354
  128    HB3  PRO  16          1HB       PRO  16   2.608  -7.593   5.255
  129    HG2  PRO  16          2HG       PRO  16   2.747 -10.207   4.870
  130    HG3  PRO  16          1HG       PRO  16   1.196  -9.362   4.728
  131    HD2  PRO  16          2HD       PRO  16   3.015 -10.347   2.559
  132    HD3  PRO  16          1HD       PRO  16   1.244 -10.425   2.686
  133    H    LYS  17           H        LYS  17   4.352  -8.118   1.549
  134    HA   LYS  17           HA       LYS  17   6.005  -5.852   2.049
  135    HB2  LYS  17          2HB       LYS  17   6.797  -8.169   1.257
  136    HB3  LYS  17          1HB       LYS  17   6.299  -7.647  -0.351
  137    HG2  LYS  17          2HG       LYS  17   7.764  -5.570   0.197
  138    HG3  LYS  17          1HG       LYS  17   8.511  -6.637   1.382
  139    HD2  LYS  17          2HD       LYS  17   9.830  -6.843  -0.544
  140    HD3  LYS  17          1HD       LYS  17   8.804  -8.282  -0.554
  141    HE2  LYS  17          2HE       LYS  17   8.859  -7.314  -2.785
  142    HE3  LYS  17          1HE       LYS  17   7.250  -7.120  -2.095
  143    HZ1  LYS  17          1HZ       LYS  17   7.849  -5.084  -3.120
  144    HZ2  LYS  17          2HZ       LYS  17   9.344  -5.064  -2.370
  145    HZ3  LYS  17          3HZ       LYS  17   7.964  -4.801  -1.453
  146    H    LYS  18           H        LYS  18   3.751  -6.838  -0.437
  147    HA   LYS  18           HA       LYS  18   4.124  -4.646  -2.171
  148    HB2  LYS  18          2HB       LYS  18   1.810  -6.503  -1.718
  149    HB3  LYS  18          1HB       LYS  18   1.691  -5.174  -2.860
  150    HG2  LYS  18          2HG       LYS  18   3.852  -7.254  -2.984
  151    HG3  LYS  18          1HG       LYS  18   2.315  -7.383  -3.848
  152    HD2  LYS  18          2HD       LYS  18   2.733  -5.445  -5.090
  153    HD3  LYS  18          1HD       LYS  18   4.131  -4.986  -4.118
  154    HE2  LYS  18          2HE       LYS  18   5.285  -7.025  -4.941
  155    HE3  LYS  18          1HE       LYS  18   3.895  -7.348  -5.981
  156    HZ1  LYS  18          1HZ       LYS  18   4.291  -5.337  -7.153
  157    HZ2  LYS  18          2HZ       LYS  18   5.777  -6.153  -7.083
  158    HZ3  LYS  18          3HZ       LYS  18   5.469  -4.847  -6.062
  159    H    ARG  19           H        ARG  19   2.150  -5.074   0.626
  160    HA   ARG  19           HA       ARG  19   0.676  -2.707   0.725
  161    HB2  ARG  19          2HB       ARG  19   0.344  -4.417   2.356
  162    HB3  ARG  19          1HB       ARG  19   2.020  -4.359   2.858
  163    HG2  ARG  19          2HG       ARG  19   1.529  -2.028   3.705
  164    HG3  ARG  19          1HG       ARG  19  -0.177  -2.405   3.449
  165    HD2  ARG  19          2HD       ARG  19   0.447  -2.898   5.752
  166    HD3  ARG  19          1HD       ARG  19   0.069  -4.394   4.896
  167    HE   ARG  19           HE       ARG  19   2.826  -3.804   4.736
  168   HH11  ARG  19          1HH1      ARG  19   0.425  -5.233   6.891
  169   HH12  ARG  19          2HH1      ARG  19   1.551  -6.045   7.857
  170   HH21  ARG  19          1HH2      ARG  19   4.438  -4.881   6.121
  171   HH22  ARG  19          2HH2      ARG  19   3.888  -5.827   7.406
  172    H    GLU  20           H        GLU  20   3.911  -3.381   2.070
  173    HA   GLU  20           HA       GLU  20   4.286  -0.602   2.670
  174    HB2  GLU  20          2HB       GLU  20   6.176  -2.919   2.954
  175    HB3  GLU  20          1HB       GLU  20   6.510  -1.283   3.522
  176    HG2  GLU  20          2HG       GLU  20   4.539  -1.372   4.956
  177    HG3  GLU  20          1HG       GLU  20   4.214  -3.000   4.371
  178    H    GLU  21           H        GLU  21   5.092  -2.563  -0.029
  179    HA   GLU  21           HA       GLU  21   7.113  -1.026  -1.185
  180    HB2  GLU  21          2HB       GLU  21   6.370  -3.313  -1.850
  181    HB3  GLU  21          1HB       GLU  21   4.883  -2.599  -2.451
  182    HG2  GLU  21          2HG       GLU  21   6.147  -1.304  -4.031
  183    HG3  GLU  21          1HG       GLU  21   7.636  -2.058  -3.431
  184    H    CYS  22           H        CYS  22   3.596  -1.100  -1.565
  185    HA   CYS  22           HA       CYS  22   3.417   1.137  -3.229
  186    HB2  CYS  22          2HB       CYS  22   1.621  -0.486  -3.103
  187    HB3  CYS  22          1HB       CYS  22   1.382  -0.135  -1.398
  188    H    LYS  23           H        LYS  23   3.334   0.737   0.279
  189    HA   LYS  23           HA       LYS  23   2.563   3.284   1.084
  190    HB2  LYS  23          2HB       LYS  23   2.862   1.416   2.650
  191    HB3  LYS  23          1HB       LYS  23   4.598   1.471   2.384
  192    HG2  LYS  23          2HG       LYS  23   4.650   3.743   3.334
  193    HG3  LYS  23          1HG       LYS  23   2.925   3.621   3.669
  194    HD2  LYS  23          2HD       LYS  23   3.362   1.688   5.121
  195    HD3  LYS  23          1HD       LYS  23   5.089   1.844   4.792
  196    HE2  LYS  23          2HE       LYS  23   5.057   4.108   5.758
  197    HE3  LYS  23          1HE       LYS  23   3.342   3.921   6.111
  198    HZ1  LYS  23          1HZ       LYS  23   3.902   2.037   7.522
  199    HZ2  LYS  23          2HZ       LYS  23   4.605   3.462   8.061
  200    HZ3  LYS  23          3HZ       LYS  23   5.549   2.300   7.249
  201    H    ARG  24           H        ARG  24   5.624   2.210  -0.185
  202    HA   ARG  24           HA       ARG  24   7.186   4.407   0.710
  203    HB2  ARG  24          2HB       ARG  24   7.988   2.110   0.090
  204    HB3  ARG  24          1HB       ARG  24   7.711   2.531  -1.588
  205    HG2  ARG  24          2HG       ARG  24   9.383   4.291  -1.437
  206    HG3  ARG  24          1HG       ARG  24   9.633   3.910   0.271
  207    HD2  ARG  24          2HD       ARG  24  10.261   1.609  -0.376
  208    HD3  ARG  24          1HD       ARG  24  10.116   2.080  -2.066
  209    HE   ARG  24           HE       ARG  24  11.881   3.703  -0.507
  210   HH11  ARG  24          1HH1      ARG  24  11.604   0.816  -2.549
  211   HH12  ARG  24          2HH1      ARG  24  13.238   0.740  -2.961
  212   HH21  ARG  24          1HH2      ARG  24  14.175   3.603  -1.044
  213   HH22  ARG  24          2HH2      ARG  24  14.750   2.406  -2.095
  214    H    LYS  25           H        LYS  25   5.026   3.925  -1.921
  215    HA   LYS  25           HA       LYS  25   5.980   6.347  -3.273
  216    HB2  LYS  25          2HB       LYS  25   5.720   4.470  -4.784
  217    HB3  LYS  25          1HB       LYS  25   4.098   4.159  -4.185
  218    HG2  LYS  25          2HG       LYS  25   3.306   6.210  -5.133
  219    HG3  LYS  25          1HG       LYS  25   4.931   6.651  -5.649
  220    HD2  LYS  25          2HD       LYS  25   4.969   4.784  -7.182
  221    HD3  LYS  25          1HD       LYS  25   3.401   4.235  -6.590
  222    HE2  LYS  25          2HE       LYS  25   3.223   5.464  -8.727
  223    HE3  LYS  25          1HE       LYS  25   2.330   6.235  -7.423
  224    HZ1  LYS  25          1HZ       LYS  25   3.568   7.811  -8.792
  225    HZ2  LYS  25          2HZ       LYS  25   5.025   7.111  -8.381
  226    HZ3  LYS  25          3HZ       LYS  25   4.074   7.864  -7.201
  227    H    ALA  26           H        ALA  26   3.312   4.938  -1.578
  228    HA   ALA  26           HA       ALA  26   1.321   6.790  -2.210
  229    HB1  ALA  26          1HB       ALA  26   0.833   4.580  -1.325
  230    HB2  ALA  26          2HB       ALA  26   0.113   5.841  -0.315
  231    HB3  ALA  26          3HB       ALA  26   1.584   5.027   0.205
  Start of MODEL    7
    1    H    HIS   1           H        HIS   1   1.651   8.700  -1.577
    2    HA   HIS   1           HA       HIS   1   2.599   9.567   1.039
    3    HB2  HIS   1          2HB       HIS   1   1.354  11.289  -1.125
    4    HB3  HIS   1          1HB       HIS   1   2.402  11.797   0.187
    5    HD1  HIS   1          1HD       HIS   1   2.451  10.781  -3.317
    6    HD2  HIS   1          2HD       HIS   1   5.159  10.956  -0.177
    7    HE1  HIS   1          1HE       HIS   1   4.735  10.638  -4.378
    8    H    ASP   2           H        ASP   2  -0.257   9.407  -0.936
    9    HA   ASP   2           HA       ASP   2  -2.050  10.622   0.918
   10    HB2  ASP   2          2HB       ASP   2  -2.629   8.861  -1.469
   11    HB3  ASP   2          1HB       ASP   2  -3.860   9.652  -0.505
   12    HA   PRO   3           HA       PRO   3  -2.620   7.201   3.648
   13    HB2  PRO   3          2HB       PRO   3  -5.141   7.883   4.539
   14    HB3  PRO   3          1HB       PRO   3  -3.638   8.559   5.170
   15    HG2  PRO   3          2HG       PRO   3  -5.543   9.701   3.189
   16    HG3  PRO   3          1HG       PRO   3  -4.655  10.516   4.485
   17    HD2  PRO   3          2HD       PRO   3  -3.887  10.674   1.918
   18    HD3  PRO   3          1HD       PRO   3  -2.707  10.639   3.246
   19    H    GLU   4           H        GLU   4  -5.207   8.159   1.453
   20    HA   GLU   4           HA       GLU   4  -6.621   5.738   1.605
   21    HB2  GLU   4          2HB       GLU   4  -6.638   7.865  -0.517
   22    HB3  GLU   4          1HB       GLU   4  -7.757   6.507  -0.472
   23    HG2  GLU   4          2HG       GLU   4  -8.575   7.235   1.677
   24    HG3  GLU   4          1HG       GLU   4  -7.451   8.586   1.675
   25    H    LYS   5           H        LYS   5  -3.880   6.685  -0.323
   26    HA   LYS   5           HA       LYS   5  -4.094   4.433  -2.091
   27    HB2  LYS   5          2HB       LYS   5  -1.829   6.332  -1.512
   28    HB3  LYS   5          1HB       LYS   5  -1.685   5.008  -2.661
   29    HG2  LYS   5          2HG       LYS   5  -3.496   5.989  -3.984
   30    HG3  LYS   5          1HG       LYS   5  -3.613   7.306  -2.814
   31    HD2  LYS   5          2HD       LYS   5  -1.345   7.973  -3.290
   32    HD3  LYS   5          1HD       LYS   5  -1.149   6.629  -4.412
   33    HE2  LYS   5          2HE       LYS   5  -1.578   8.691  -5.636
   34    HE3  LYS   5          1HE       LYS   5  -2.910   7.560  -5.824
   35    HZ1  LYS   5          1HZ       LYS   5  -4.174   8.813  -4.194
   36    HZ2  LYS   5          2HZ       LYS   5  -3.689   9.809  -5.442
   37    HZ3  LYS   5          3HZ       LYS   5  -2.880   9.875  -3.960
   38    H    ARG   6           H        ARG   6  -2.327   5.207   0.832
   39    HA   ARG   6           HA       ARG   6  -0.855   2.810   1.055
   40    HB2  ARG   6          2HB       ARG   6  -1.900   4.666   3.213
   41    HB3  ARG   6          1HB       ARG   6  -0.783   3.343   3.514
   42    HG2  ARG   6          2HG       ARG   6   0.892   4.395   2.128
   43    HG3  ARG   6          1HG       ARG   6  -0.235   5.680   1.698
   44    HD2  ARG   6          2HD       ARG   6   1.347   6.407   3.412
   45    HD3  ARG   6          1HD       ARG   6  -0.304   6.411   4.020
   46    HE   ARG   6           HE       ARG   6   0.482   4.049   4.875
   47   HH11  ARG   6          1HH1      ARG   6   2.310   7.093   4.931
   48   HH12  ARG   6          2HH1      ARG   6   3.120   6.760   6.373
   49   HH21  ARG   6          1HH2      ARG   6   1.641   3.583   6.903
   50   HH22  ARG   6          2HH2      ARG   6   2.745   4.701   7.517
   51    H    LYS   7           H        LYS   7  -3.986   3.780   2.346
   52    HA   LYS   7           HA       LYS   7  -4.712   1.397   3.594
   53    HB2  LYS   7          2HB       LYS   7  -5.870   3.630   3.802
   54    HB3  LYS   7          1HB       LYS   7  -6.533   3.324   2.196
   55    HG2  LYS   7          2HG       LYS   7  -8.183   2.786   3.860
   56    HG3  LYS   7          1HG       LYS   7  -7.651   1.331   3.029
   57    HD2  LYS   7          2HD       LYS   7  -6.167   0.765   4.874
   58    HD3  LYS   7          1HD       LYS   7  -6.629   2.246   5.716
   59    HE2  LYS   7          2HE       LYS   7  -8.915   1.448   5.871
   60    HE3  LYS   7          1HE       LYS   7  -8.481  -0.002   4.968
   61    HZ1  LYS   7          1HZ       LYS   7  -6.944  -0.586   6.723
   62    HZ2  LYS   7          2HZ       LYS   7  -8.520  -0.476   7.296
   63    HZ3  LYS   7          3HZ       LYS   7  -7.402   0.771   7.624
   64    H    GLU   8           H        GLU   8  -5.166   2.552   0.298
   65    HA   GLU   8           HA       GLU   8  -6.776   0.541  -0.622
   66    HB2  GLU   8          2HB       GLU   8  -6.456   2.539  -1.918
   67    HB3  GLU   8          1HB       GLU   8  -4.741   2.221  -2.075
   68    HG2  GLU   8          2HG       GLU   8  -5.155   0.379  -3.542
   69    HG3  GLU   8          1HG       GLU   8  -6.893   0.499  -3.274
   70    H    CYS   9           H        CYS   9  -3.257   0.797  -0.565
   71    HA   CYS   9           HA       CYS   9  -2.925  -1.746  -1.763
   72    HB2  CYS   9          2HB       CYS   9  -0.940   0.101  -0.456
   73    HB3  CYS   9          1HB       CYS   9  -0.487  -1.445  -1.178
   74    H    GLU  10           H        GLU  10  -3.224  -0.704   1.528
   75    HA   GLU  10           HA       GLU  10  -2.381  -3.091   2.802
   76    HB2  GLU  10          2HB       GLU  10  -2.834  -1.022   4.050
   77    HB3  GLU  10          1HB       GLU  10  -4.524  -1.088   3.574
   78    HG2  GLU  10          2HG       GLU  10  -4.662  -3.288   4.790
   79    HG3  GLU  10          1HG       GLU  10  -3.061  -2.941   5.430
   80    H    LYS  11           H        LYS  11  -5.407  -1.969   1.483
   81    HA   LYS  11           HA       LYS  11  -7.008  -4.177   2.254
   82    HB2  LYS  11          2HB       LYS  11  -7.929  -1.964   1.912
   83    HB3  LYS  11          1HB       LYS  11  -7.393  -1.977   0.243
   84    HG2  LYS  11          2HG       LYS  11  -8.986  -3.743  -0.271
   85    HG3  LYS  11          1HG       LYS  11  -9.496  -3.789   1.417
   86    HD2  LYS  11          2HD       LYS  11 -11.066  -2.494   0.053
   87    HD3  LYS  11          1HD       LYS  11 -10.278  -1.472   1.254
   88    HE2  LYS  11          2HE       LYS  11  -8.752  -0.625  -0.466
   89    HE3  LYS  11          1HE       LYS  11  -9.502  -1.679  -1.664
   90    HZ1  LYS  11          1HZ       LYS  11 -10.826   0.540  -0.206
   91    HZ2  LYS  11          2HZ       LYS  11 -11.579  -0.470  -1.327
   92    HZ3  LYS  11          3HZ       LYS  11 -10.357   0.565  -1.821
   93    H    LYS  12           H        LYS  12  -5.622  -3.147  -0.833
   94    HA   LYS  12           HA       LYS  12  -6.639  -5.394  -2.256
   95    HB2  LYS  12          2HB       LYS  12  -4.713  -3.220  -2.975
   96    HB3  LYS  12          1HB       LYS  12  -5.144  -4.502  -4.100
   97    HG2  LYS  12          2HG       LYS  12  -7.126  -2.613  -2.826
   98    HG3  LYS  12          1HG       LYS  12  -6.399  -2.361  -4.413
   99    HD2  LYS  12          2HD       LYS  12  -7.349  -4.508  -5.164
  100    HD3  LYS  12          1HD       LYS  12  -8.115  -4.711  -3.587
  101    HE2  LYS  12          2HE       LYS  12  -9.458  -2.737  -3.945
  102    HE3  LYS  12          1HE       LYS  12  -8.614  -2.400  -5.455
  103    HZ1  LYS  12          1HZ       LYS  12 -10.768  -3.456  -5.832
  104    HZ2  LYS  12          2HZ       LYS  12 -10.310  -4.800  -4.949
  105    HZ3  LYS  12          3HZ       LYS  12  -9.518  -4.425  -6.386
  106    H    TYR  13           H        TYR  13  -3.430  -4.655  -0.867
  107    HA   TYR  13           HA       TYR  13  -2.533  -7.114  -2.100
  108    HB2  TYR  13          2HB       TYR  13  -0.947  -4.852  -0.919
  109    HB3  TYR  13          1HB       TYR  13  -0.230  -6.383  -1.404
  110    HD1  TYR  13          1HD       TYR  13  -0.495  -7.092  -3.849
  111    HD2  TYR  13          2HD       TYR  13  -1.276  -3.142  -2.479
  112    HE1  TYR  13          1HE       TYR  13  -0.273  -6.265  -6.133
  113    HE2  TYR  13          2HE       TYR  13  -1.044  -2.300  -4.774
  114    HH   TYR  13           HH       TYR  13   0.094  -3.026  -6.873
  115    H    THR  14           H        THR  14  -2.614  -8.853  -1.061
  116    HA   THR  14           HA       THR  14  -2.544  -9.004   1.800
  117    HB   THR  14           HB       THR  14  -2.512 -11.512   1.137
  118    HG1  THR  14          1HG       THR  14  -2.472 -11.952  -0.901
  119   HG21  THR  14          1HG2      THR  14  -4.813  -9.767   0.226
  120   HG22  THR  14          2HG2      THR  14  -4.553 -10.349   1.871
  121   HG23  THR  14          3HG2      THR  14  -4.910 -11.492   0.578
  122    H    ASP  15           H        ASP  15  -0.566  -9.360  -0.984
  123    HA   ASP  15           HA       ASP  15   1.680 -10.724  -0.023
  124    HB2  ASP  15          2HB       ASP  15   1.196 -10.331  -2.385
  125    HB3  ASP  15          1HB       ASP  15   1.442  -8.604  -2.161
  126    HA   PRO  16           HA       PRO  16   2.995  -7.564   2.808
  127    HB2  PRO  16          2HB       PRO  16   5.405  -8.616   3.485
  128    HB3  PRO  16          1HB       PRO  16   3.869  -9.238   4.101
  129    HG2  PRO  16          2HG       PRO  16   5.563 -10.262   1.861
  130    HG3  PRO  16          1HG       PRO  16   4.721 -11.168   3.132
  131    HD2  PRO  16          2HD       PRO  16   3.734 -10.925   0.625
  132    HD3  PRO  16          1HD       PRO  16   2.690 -11.030   2.059
  133    H    LYS  17           H        LYS  17   4.984  -8.469   0.026
  134    HA   LYS  17           HA       LYS  17   6.706  -6.230   0.633
  135    HB2  LYS  17          2HB       LYS  17   8.153  -6.958  -1.229
  136    HB3  LYS  17          1HB       LYS  17   7.874  -8.234  -0.061
  137    HG2  LYS  17          2HG       LYS  17   6.196  -9.206  -1.595
  138    HG3  LYS  17          1HG       LYS  17   6.599  -7.960  -2.770
  139    HD2  LYS  17          2HD       LYS  17   7.771 -10.005  -3.311
  140    HD3  LYS  17          1HD       LYS  17   8.931  -8.782  -2.798
  141    HE2  LYS  17          2HE       LYS  17   9.096  -9.802  -0.605
  142    HE3  LYS  17          1HE       LYS  17   7.825 -10.954  -1.007
  143    HZ1  LYS  17          1HZ       LYS  17  10.049 -11.909  -1.176
  144    HZ2  LYS  17          2HZ       LYS  17  10.461 -10.780  -2.359
  145    HZ3  LYS  17          3HZ       LYS  17   9.266 -11.917  -2.667
  146    H    LYS  18           H        LYS  18   4.324  -7.159  -1.766
  147    HA   LYS  18           HA       LYS  18   4.621  -4.806  -3.352
  148    HB2  LYS  18          2HB       LYS  18   2.140  -6.485  -2.933
  149    HB3  LYS  18          1HB       LYS  18   2.348  -5.290  -4.198
  150    HG2  LYS  18          2HG       LYS  18   4.210  -6.655  -5.100
  151    HG3  LYS  18          1HG       LYS  18   3.827  -7.873  -3.869
  152    HD2  LYS  18          2HD       LYS  18   1.559  -8.042  -4.779
  153    HD3  LYS  18          1HD       LYS  18   1.985  -6.875  -6.029
  154    HE2  LYS  18          2HE       LYS  18   2.136  -9.096  -6.941
  155    HE3  LYS  18          1HE       LYS  18   3.752  -8.406  -6.805
  156    HZ1  LYS  18          1HZ       LYS  18   4.065  -9.692  -4.755
  157    HZ2  LYS  18          2HZ       LYS  18   3.719 -10.694  -6.059
  158    HZ3  LYS  18          3HZ       LYS  18   2.521 -10.345  -4.929
  159    H    ARG  19           H        ARG  19   2.670  -5.654  -0.614
  160    HA   ARG  19           HA       ARG  19   1.159  -3.300  -0.377
  161    HB2  ARG  19          2HB       ARG  19   0.541  -5.358   0.702
  162    HB3  ARG  19          1HB       ARG  19   2.038  -5.382   1.599
  163    HG2  ARG  19          2HG       ARG  19   1.307  -3.517   2.930
  164    HG3  ARG  19          1HG       ARG  19  -0.172  -3.379   1.963
  165    HD2  ARG  19          2HD       ARG  19  -0.937  -5.504   2.644
  166    HD3  ARG  19          1HD       ARG  19   0.617  -5.917   3.358
  167    HE   ARG  19           HE       ARG  19  -0.063  -3.832   4.807
  168   HH11  ARG  19          1HH1      ARG  19  -2.072  -6.532   3.773
  169   HH12  ARG  19          2HH1      ARG  19  -2.904  -6.704   5.244
  170   HH21  ARG  19          1HH2      ARG  19  -1.180  -4.035   6.860
  171   HH22  ARG  19          2HH2      ARG  19  -2.391  -5.219   7.059
  172    H    GLU  20           H        GLU  20   4.215  -4.339   1.138
  173    HA   GLU  20           HA       GLU  20   4.750  -2.070   2.670
  174    HB2  GLU  20          2HB       GLU  20   5.985  -4.224   2.777
  175    HB3  GLU  20          1HB       GLU  20   6.718  -3.849   1.230
  176    HG2  GLU  20          2HG       GLU  20   8.290  -3.349   2.957
  177    HG3  GLU  20          1HG       GLU  20   7.731  -1.835   2.251
  178    H    GLU  21           H        GLU  21   5.858  -2.919  -0.640
  179    HA   GLU  21           HA       GLU  21   7.418  -0.726  -1.089
  180    HB2  GLU  21          2HB       GLU  21   7.204  -3.006  -2.238
  181    HB3  GLU  21          1HB       GLU  21   5.923  -2.240  -3.170
  182    HG2  GLU  21          2HG       GLU  21   8.048  -2.248  -4.289
  183    HG3  GLU  21          1HG       GLU  21   7.410  -0.614  -3.982
  184    H    CYS  22           H        CYS  22   3.991  -1.287  -1.703
  185    HA   CYS  22           HA       CYS  22   3.636   1.157  -3.089
  186    HB2  CYS  22          2HB       CYS  22   2.004  -0.611  -3.400
  187    HB3  CYS  22          1HB       CYS  22   1.617  -0.600  -1.683
  188    H    LYS  23           H        LYS  23   3.012   0.138   0.253
  189    HA   LYS  23           HA       LYS  23   1.817   2.452   1.205
  190    HB2  LYS  23          2HB       LYS  23   1.723   0.326   2.353
  191    HB3  LYS  23          1HB       LYS  23   3.457   0.362   2.607
  192    HG2  LYS  23          2HG       LYS  23   3.221   2.226   4.139
  193    HG3  LYS  23          1HG       LYS  23   1.487   2.287   3.826
  194    HD2  LYS  23          2HD       LYS  23   2.005   1.120   5.935
  195    HD3  LYS  23          1HD       LYS  23   1.200   0.064   4.778
  196    HE2  LYS  23          2HE       LYS  23   3.032  -1.075   5.927
  197    HE3  LYS  23          1HE       LYS  23   3.361  -0.951   4.202
  198    HZ1  LYS  23          1HZ       LYS  23   4.702   1.092   4.843
  199    HZ2  LYS  23          2HZ       LYS  23   5.316  -0.404   5.217
  200    HZ3  LYS  23          3HZ       LYS  23   4.612   0.530   6.440
  201    H    ARG  24           H        ARG  24   5.231   1.616   1.045
  202    HA   ARG  24           HA       ARG  24   6.123   3.897   2.527
  203    HB2  ARG  24          2HB       ARG  24   8.384   3.243   1.824
  204    HB3  ARG  24          1HB       ARG  24   7.469   1.847   2.372
  205    HG2  ARG  24          2HG       ARG  24   6.990   1.315  -0.008
  206    HG3  ARG  24          1HG       ARG  24   8.091   2.614  -0.455
  207    HD2  ARG  24          2HD       ARG  24   8.825   0.193   1.196
  208    HD3  ARG  24          1HD       ARG  24   9.141   0.374  -0.523
  209    HE   ARG  24           HE       ARG  24  10.310   2.151   1.512
  210   HH11  ARG  24          1HH1      ARG  24  10.634   0.332  -1.533
  211   HH12  ARG  24          2HH1      ARG  24  12.307   0.464  -1.604
  212   HH21  ARG  24          1HH2      ARG  24  12.657   2.321   1.417
  213   HH22  ARG  24          2HH2      ARG  24  13.497   1.635   0.114
  214    H    LYS  25           H        LYS  25   5.177   3.441  -0.742
  215    HA   LYS  25           HA       LYS  25   6.663   5.773  -1.658
  216    HB2  LYS  25          2HB       LYS  25   6.875   3.706  -2.944
  217    HB3  LYS  25          1HB       LYS  25   5.137   3.629  -3.129
  218    HG2  LYS  25          2HG       LYS  25   5.136   5.509  -4.599
  219    HG3  LYS  25          1HG       LYS  25   6.832   5.850  -4.248
  220    HD2  LYS  25          2HD       LYS  25   6.625   4.744  -6.413
  221    HD3  LYS  25          1HD       LYS  25   7.472   3.713  -5.269
  222    HE2  LYS  25          2HE       LYS  25   5.934   2.374  -6.537
  223    HE3  LYS  25          1HE       LYS  25   5.358   2.473  -4.880
  224    HZ1  LYS  25          1HZ       LYS  25   3.735   4.149  -5.588
  225    HZ2  LYS  25          2HZ       LYS  25   3.586   2.736  -6.479
  226    HZ3  LYS  25          3HZ       LYS  25   4.333   4.068  -7.167
  227    H    ALA  26           H        ALA  26   3.544   4.729  -0.778
  228    HA   ALA  26           HA       ALA  26   2.092   6.739  -2.235
  229    HB1  ALA  26          1HB       ALA  26   1.073   4.564  -1.786
  230    HB2  ALA  26          2HB       ALA  26   0.142   5.867  -1.042
  231    HB3  ALA  26          3HB       ALA  26   1.200   4.863  -0.054
  Start of MODEL    8
    1    H    HIS   1           H        HIS   1   1.822   8.774  -1.189
    2    HA   HIS   1           HA       HIS   1   2.485   8.847   1.664
    3    HB2  HIS   1          2HB       HIS   1   2.798  10.998  -0.454
    4    HB3  HIS   1          1HB       HIS   1   2.928  11.327   1.265
    5    HD1  HIS   1          1HD       HIS   1   5.254  10.984   2.292
    6    HD2  HIS   1          2HD       HIS   1   4.833   9.194  -1.437
    7    HE1  HIS   1          1HE       HIS   1   7.544  10.176   1.649
    8    H    ASP   2           H        ASP   2   0.041   8.355  -0.057
    9    HA   ASP   2           HA       ASP   2  -1.730  10.307   1.237
   10    HB2  ASP   2          2HB       ASP   2  -2.245   8.512  -1.133
   11    HB3  ASP   2          1HB       ASP   2  -3.517   9.363  -0.286
   12    HA   PRO   3           HA       PRO   3  -2.930   7.032   3.978
   13    HB2  PRO   3          2HB       PRO   3  -5.416   8.108   4.607
   14    HB3  PRO   3          1HB       PRO   3  -3.908   8.522   5.424
   15    HG2  PRO   3          2HG       PRO   3  -5.368   9.987   3.278
   16    HG3  PRO   3          1HG       PRO   3  -4.458  10.634   4.651
   17    HD2  PRO   3          2HD       PRO   3  -3.494  10.609   2.134
   18    HD3  PRO   3          1HD       PRO   3  -2.436  10.429   3.555
   19    H    GLU   4           H        GLU   4  -5.169   8.352   1.580
   20    HA   GLU   4           HA       GLU   4  -6.965   6.199   1.421
   21    HB2  GLU   4          2HB       GLU   4  -6.169   8.182  -0.719
   22    HB3  GLU   4          1HB       GLU   4  -7.500   7.056  -0.871
   23    HG2  GLU   4          2HG       GLU   4  -8.347   9.232  -0.352
   24    HG3  GLU   4          1HG       GLU   4  -8.603   8.181   1.033
   25    H    LYS   5           H        LYS   5  -4.052   6.932  -0.424
   26    HA   LYS   5           HA       LYS   5  -4.283   4.686  -2.145
   27    HB2  LYS   5          2HB       LYS   5  -2.997   6.815  -2.624
   28    HB3  LYS   5          1HB       LYS   5  -1.772   6.231  -1.517
   29    HG2  LYS   5          2HG       LYS   5  -1.070   5.765  -3.763
   30    HG3  LYS   5          1HG       LYS   5  -1.477   4.237  -2.979
   31    HD2  LYS   5          2HD       LYS   5  -3.653   4.230  -4.085
   32    HD3  LYS   5          1HD       LYS   5  -3.295   5.789  -4.829
   33    HE2  LYS   5          2HE       LYS   5  -1.384   4.738  -5.995
   34    HE3  LYS   5          1HE       LYS   5  -1.841   3.187  -5.291
   35    HZ1  LYS   5          1HZ       LYS   5  -2.703   3.393  -7.516
   36    HZ2  LYS   5          2HZ       LYS   5  -3.477   4.830  -7.135
   37    HZ3  LYS   5          3HZ       LYS   5  -3.996   3.389  -6.427
   38    H    ARG   6           H        ARG   6  -2.489   5.316   0.840
   39    HA   ARG   6           HA       ARG   6  -1.118   2.865   0.884
   40    HB2  ARG   6          2HB       ARG   6  -1.917   4.698   3.147
   41    HB3  ARG   6          1HB       ARG   6  -0.956   3.250   3.387
   42    HG2  ARG   6          2HG       ARG   6   0.758   4.166   1.875
   43    HG3  ARG   6          1HG       ARG   6  -0.203   5.636   1.718
   44    HD2  ARG   6          2HD       ARG   6  -0.005   6.045   4.110
   45    HD3  ARG   6          1HD       ARG   6   0.901   4.546   4.306
   46    HE   ARG   6           HE       ARG   6   2.269   6.009   2.422
   47   HH11  ARG   6          1HH1      ARG   6   1.434   6.425   5.850
   48   HH12  ARG   6          2HH1      ARG   6   2.735   7.468   6.170
   49   HH21  ARG   6          1HH2      ARG   6   4.069   7.370   2.877
   50   HH22  ARG   6          2HH2      ARG   6   4.290   8.023   4.427
   51    H    LYS   7           H        LYS   7  -4.291   3.792   2.127
   52    HA   LYS   7           HA       LYS   7  -4.839   1.312   3.346
   53    HB2  LYS   7          2HB       LYS   7  -6.168   3.385   3.798
   54    HB3  LYS   7          1HB       LYS   7  -6.794   3.238   2.150
   55    HG2  LYS   7          2HG       LYS   7  -8.404   2.395   3.815
   56    HG3  LYS   7          1HG       LYS   7  -7.887   1.168   2.666
   57    HD2  LYS   7          2HD       LYS   7  -6.317   0.258   4.298
   58    HD3  LYS   7          1HD       LYS   7  -6.779   1.509   5.453
   59    HE2  LYS   7          2HE       LYS   7  -8.611  -0.601   4.311
   60    HE3  LYS   7          1HE       LYS   7  -7.856  -0.664   5.901
   61    HZ1  LYS   7          1HZ       LYS   7 -10.112   0.121   6.039
   62    HZ2  LYS   7          2HZ       LYS   7  -9.802   1.375   4.972
   63    HZ3  LYS   7          3HZ       LYS   7  -9.059   1.359   6.489
   64    H    GLU   8           H        GLU   8  -5.423   2.612   0.140
   65    HA   GLU   8           HA       GLU   8  -7.009   0.614  -0.847
   66    HB2  GLU   8          2HB       GLU   8  -6.590   2.760  -1.978
   67    HB3  GLU   8          1HB       GLU   8  -4.950   2.254  -2.340
   68    HG2  GLU   8          2HG       GLU   8  -6.375   2.076  -4.296
   69    HG3  GLU   8          1HG       GLU   8  -5.811   0.487  -3.783
   70    H    CYS   9           H        CYS   9  -3.468   0.902  -0.858
   71    HA   CYS   9           HA       CYS   9  -3.066  -1.609  -2.122
   72    HB2  CYS   9          2HB       CYS   9  -1.152   0.152  -0.612
   73    HB3  CYS   9          1HB       CYS   9  -0.684  -1.311  -1.474
   74    H    GLU  10           H        GLU  10  -3.260  -0.616   1.234
   75    HA   GLU  10           HA       GLU  10  -2.296  -3.013   2.398
   76    HB2  GLU  10          2HB       GLU  10  -2.555  -0.796   3.545
   77    HB3  GLU  10          1HB       GLU  10  -4.287  -0.992   3.474
   78    HG2  GLU  10          2HG       GLU  10  -2.615  -3.015   4.914
   79    HG3  GLU  10          1HG       GLU  10  -2.974  -1.472   5.669
   80    H    LYS  11           H        LYS  11  -5.436  -1.869   1.464
   81    HA   LYS  11           HA       LYS  11  -6.961  -4.089   2.291
   82    HB2  LYS  11          2HB       LYS  11  -7.948  -1.925   1.989
   83    HB3  LYS  11          1HB       LYS  11  -7.429  -1.866   0.318
   84    HG2  LYS  11          2HG       LYS  11  -8.964  -3.670  -0.213
   85    HG3  LYS  11          1HG       LYS  11  -9.501  -3.716   1.466
   86    HD2  LYS  11          2HD       LYS  11 -10.339  -1.465   1.312
   87    HD3  LYS  11          1HD       LYS  11  -9.657  -1.279  -0.304
   88    HE2  LYS  11          2HE       LYS  11 -11.769  -3.272   0.464
   89    HE3  LYS  11          1HE       LYS  11 -12.087  -1.720  -0.310
   90    HZ1  LYS  11          1HZ       LYS  11 -12.016  -3.572  -1.903
   91    HZ2  LYS  11          2HZ       LYS  11 -10.400  -3.874  -1.499
   92    HZ3  LYS  11          3HZ       LYS  11 -10.827  -2.432  -2.221
   93    H    LYS  12           H        LYS  12  -5.545  -3.179  -0.845
   94    HA   LYS  12           HA       LYS  12  -6.633  -5.423  -2.206
   95    HB2  LYS  12          2HB       LYS  12  -6.123  -3.397  -3.441
   96    HB3  LYS  12          1HB       LYS  12  -4.426  -3.533  -3.017
   97    HG2  LYS  12          2HG       LYS  12  -4.780  -4.233  -5.315
   98    HG3  LYS  12          1HG       LYS  12  -4.263  -5.602  -4.332
   99    HD2  LYS  12          2HD       LYS  12  -6.634  -6.297  -4.133
  100    HD3  LYS  12          1HD       LYS  12  -7.083  -4.978  -5.213
  101    HE2  LYS  12          2HE       LYS  12  -5.282  -7.314  -5.873
  102    HE3  LYS  12          1HE       LYS  12  -6.939  -7.095  -6.412
  103    HZ1  LYS  12          1HZ       LYS  12  -4.656  -5.329  -7.128
  104    HZ2  LYS  12          2HZ       LYS  12  -6.245  -5.130  -7.650
  105    HZ3  LYS  12          3HZ       LYS  12  -5.361  -6.475  -8.130
  106    H    TYR  13           H        TYR  13  -3.344  -4.708  -1.014
  107    HA   TYR  13           HA       TYR  13  -2.491  -7.231  -2.099
  108    HB2  TYR  13          2HB       TYR  13  -0.937  -4.968  -0.881
  109    HB3  TYR  13          1HB       TYR  13  -0.202  -6.489  -1.376
  110    HD1  TYR  13          1HD       TYR  13  -1.869  -3.437  -2.549
  111    HD2  TYR  13          2HD       TYR  13   0.122  -7.006  -3.694
  112    HE1  TYR  13          1HE       TYR  13  -1.690  -2.589  -4.836
  113    HE2  TYR  13          2HE       TYR  13   0.311  -6.182  -5.979
  114    HH   TYR  13           HH       TYR  13  -0.336  -2.947  -6.821
  115    H    THR  14           H        THR  14  -2.353  -8.989  -1.069
  116    HA   THR  14           HA       THR  14  -2.349  -9.014   1.810
  117    HB   THR  14           HB       THR  14  -2.475 -11.536   1.394
  118    HG1  THR  14          1HG       THR  14  -1.786 -11.808  -0.610
  119   HG21  THR  14          1HG2      THR  14  -4.851 -11.481   0.768
  120   HG22  THR  14          2HG2      THR  14  -4.663  -9.824   0.193
  121   HG23  THR  14          3HG2      THR  14  -4.475 -10.188   1.908
  122    H    ASP  15           H        ASP  15  -0.385  -9.445  -0.986
  123    HA   ASP  15           HA       ASP  15   1.834 -10.779   0.104
  124    HB2  ASP  15          2HB       ASP  15   1.559 -10.557  -2.311
  125    HB3  ASP  15          1HB       ASP  15   1.675  -8.806  -2.187
  126    HA   PRO  16           HA       PRO  16   2.999  -7.537   2.881
  127    HB2  PRO  16          2HB       PRO  16   5.441  -8.540   3.580
  128    HB3  PRO  16          1HB       PRO  16   3.915  -9.115   4.257
  129    HG2  PRO  16          2HG       PRO  16   5.554 -10.268   2.038
  130    HG3  PRO  16          1HG       PRO  16   4.747 -11.100   3.379
  131    HD2  PRO  16          2HD       PRO  16   3.683 -11.049   0.927
  132    HD3  PRO  16          1HD       PRO  16   2.659 -10.951   2.376
  133    H    LYS  17           H        LYS  17   5.075  -8.563   0.249
  134    HA   LYS  17           HA       LYS  17   6.964  -6.470   0.676
  135    HB2  LYS  17          2HB       LYS  17   6.598  -8.274  -1.723
  136    HB3  LYS  17          1HB       LYS  17   7.987  -7.237  -1.424
  137    HG2  LYS  17          2HG       LYS  17   7.134  -9.565   0.302
  138    HG3  LYS  17          1HG       LYS  17   8.454  -9.579  -0.865
  139    HD2  LYS  17          2HD       LYS  17   9.651  -7.899   0.421
  140    HD3  LYS  17          1HD       LYS  17   8.302  -7.763   1.545
  141    HE2  LYS  17          2HE       LYS  17  10.076  -9.132   2.496
  142    HE3  LYS  17          1HE       LYS  17   8.621 -10.081   2.224
  143    HZ1  LYS  17          1HZ       LYS  17  11.002 -10.056   0.452
  144    HZ2  LYS  17          2HZ       LYS  17   9.640 -11.036   0.246
  145    HZ3  LYS  17          3HZ       LYS  17  10.636 -11.254   1.557
  146    H    LYS  18           H        LYS  18   4.526  -7.092  -1.817
  147    HA   LYS  18           HA       LYS  18   4.886  -4.604  -3.144
  148    HB2  LYS  18          2HB       LYS  18   2.430  -6.365  -3.110
  149    HB3  LYS  18          1HB       LYS  18   2.792  -5.120  -4.296
  150    HG2  LYS  18          2HG       LYS  18   4.728  -6.379  -5.055
  151    HG3  LYS  18          1HG       LYS  18   4.410  -7.607  -3.826
  152    HD2  LYS  18          2HD       LYS  18   2.203  -8.016  -4.881
  153    HD3  LYS  18          1HD       LYS  18   2.651  -6.885  -6.161
  154    HE2  LYS  18          2HE       LYS  18   3.062  -9.166  -6.879
  155    HE3  LYS  18          1HE       LYS  18   4.586  -8.299  -6.712
  156    HZ1  LYS  18          1HZ       LYS  18   4.895  -9.397  -4.530
  157    HZ2  LYS  18          2HZ       LYS  18   4.741 -10.520  -5.753
  158    HZ3  LYS  18          3HZ       LYS  18   3.443 -10.217  -4.748
  159    H    ARG  19           H        ARG  19   2.779  -5.637  -0.559
  160    HA   ARG  19           HA       ARG  19   1.148  -3.352  -0.349
  161    HB2  ARG  19          2HB       ARG  19   0.632  -5.491   0.695
  162    HB3  ARG  19          1HB       ARG  19   2.061  -5.373   1.691
  163    HG2  ARG  19          2HG       ARG  19   1.078  -3.506   2.896
  164    HG3  ARG  19          1HG       ARG  19  -0.347  -3.590   1.853
  165    HD2  ARG  19          2HD       ARG  19  -0.899  -5.762   2.618
  166    HD3  ARG  19          1HD       ARG  19   0.640  -5.929   3.452
  167    HE   ARG  19           HE       ARG  19  -0.564  -3.772   4.594
  168   HH11  ARG  19          1HH1      ARG  19  -1.575  -7.123   4.055
  169   HH12  ARG  19          2HH1      ARG  19  -2.340  -7.299   5.550
  170   HH21  ARG  19          1HH2      ARG  19  -1.616  -4.018   6.694
  171   HH22  ARG  19          2HH2      ARG  19  -2.388  -5.487   7.074
  172    H    GLU  20           H        GLU  20   4.211  -4.257   1.205
  173    HA   GLU  20           HA       GLU  20   4.540  -1.925   2.736
  174    HB2  GLU  20          2HB       GLU  20   5.743  -4.022   3.166
  175    HB3  GLU  20          1HB       GLU  20   6.586  -3.858   1.638
  176    HG2  GLU  20          2HG       GLU  20   7.971  -3.243   3.545
  177    HG3  GLU  20          1HG       GLU  20   7.724  -1.898   2.436
  178    H    GLU  21           H        GLU  21   5.726  -2.877  -0.464
  179    HA   GLU  21           HA       GLU  21   7.260  -0.652  -1.090
  180    HB2  GLU  21          2HB       GLU  21   5.555  -2.335  -2.891
  181    HB3  GLU  21          1HB       GLU  21   6.704  -1.134  -3.457
  182    HG2  GLU  21          2HG       GLU  21   7.328  -3.595  -1.847
  183    HG3  GLU  21          1HG       GLU  21   7.622  -3.376  -3.570
  184    H    CYS  22           H        CYS  22   3.801  -1.176  -1.537
  185    HA   CYS  22           HA       CYS  22   3.447   1.297  -2.783
  186    HB2  CYS  22          2HB       CYS  22   1.781  -0.533  -2.972
  187    HB3  CYS  22          1HB       CYS  22   1.342  -0.269  -1.285
  188    H    LYS  23           H        LYS  23   3.145   0.252   0.607
  189    HA   LYS  23           HA       LYS  23   2.266   2.720   1.610
  190    HB2  LYS  23          2HB       LYS  23   2.072   0.723   2.949
  191    HB3  LYS  23          1HB       LYS  23   3.810   0.484   2.939
  192    HG2  LYS  23          2HG       LYS  23   4.161   2.237   4.463
  193    HG3  LYS  23          1HG       LYS  23   2.548   2.899   4.205
  194    HD2  LYS  23          2HD       LYS  23   2.764   1.727   6.375
  195    HD3  LYS  23          1HD       LYS  23   1.546   1.003   5.335
  196    HE2  LYS  23          2HE       LYS  23   2.819  -0.727   6.420
  197    HE3  LYS  23          1HE       LYS  23   3.176  -0.740   4.698
  198    HZ1  LYS  23          1HZ       LYS  23   5.132  -1.025   6.057
  199    HZ2  LYS  23          2HZ       LYS  23   4.949   0.478   6.777
  200    HZ3  LYS  23          3HZ       LYS  23   5.271   0.318   5.119
  201    H    ARG  24           H        ARG  24   5.406   1.632   0.725
  202    HA   ARG  24           HA       ARG  24   6.844   3.863   1.810
  203    HB2  ARG  24          2HB       ARG  24   7.578   1.789  -0.262
  204    HB3  ARG  24          1HB       ARG  24   8.688   3.019   0.314
  205    HG2  ARG  24          2HG       ARG  24   8.625   2.104   2.538
  206    HG3  ARG  24          1HG       ARG  24   7.366   0.962   2.070
  207    HD2  ARG  24          2HD       ARG  24   8.890  -0.177   0.578
  208    HD3  ARG  24          1HD       ARG  24  10.139   1.034   0.872
  209    HE   ARG  24           HE       ARG  24   9.649   0.172   3.317
  210   HH11  ARG  24          1HH1      ARG  24  10.125  -1.842   0.379
  211   HH12  ARG  24          2HH1      ARG  24  11.001  -3.024   1.230
  212   HH21  ARG  24          1HH2      ARG  24  10.795  -1.566   4.407
  213   HH22  ARG  24          2HH2      ARG  24  11.381  -2.893   3.502
  214    H    LYS  25           H        LYS  25   5.140   3.187  -1.151
  215    HA   LYS  25           HA       LYS  25   6.469   5.271  -2.697
  216    HB2  LYS  25          2HB       LYS  25   5.874   3.107  -3.706
  217    HB3  LYS  25          1HB       LYS  25   4.181   3.411  -3.368
  218    HG2  LYS  25          2HG       LYS  25   4.319   5.399  -4.887
  219    HG3  LYS  25          1HG       LYS  25   5.948   4.885  -5.319
  220    HD2  LYS  25          2HD       LYS  25   3.419   3.261  -5.702
  221    HD3  LYS  25          1HD       LYS  25   4.290   4.116  -6.969
  222    HE2  LYS  25          2HE       LYS  25   5.419   1.842  -5.316
  223    HE3  LYS  25          1HE       LYS  25   4.745   1.679  -6.931
  224    HZ1  LYS  25          1HZ       LYS  25   6.471   3.061  -7.801
  225    HZ2  LYS  25          2HZ       LYS  25   7.193   1.836  -6.905
  226    HZ3  LYS  25          3HZ       LYS  25   7.090   3.389  -6.280
  227    H    ALA  26           H        ALA  26   3.386   4.600  -1.220
  228    HA   ALA  26           HA       ALA  26   2.173   6.995  -2.270
  229    HB1  ALA  26          1HB       ALA  26   0.887   4.944  -2.201
  230    HB2  ALA  26          2HB       ALA  26   0.177   6.185  -1.160
  231    HB3  ALA  26          3HB       ALA  26   1.101   4.863  -0.452
  Start of MODEL    9
    1    H    HIS   1           H        HIS   1   2.303   8.304  -0.462
    2    HA   HIS   1           HA       HIS   1   2.042   7.415   2.314
    3    HB2  HIS   1          2HB       HIS   1   2.896  10.113   1.221
    4    HB3  HIS   1          1HB       HIS   1   2.855   9.666   2.919
    5    HD1  HIS   1          1HD       HIS   1   4.984   9.481  -0.092
    6    HD2  HIS   1          2HD       HIS   1   4.812   7.762   3.677
    7    HE1  HIS   1          1HE       HIS   1   7.221   8.377   0.260
    8    H    ASP   2           H        ASP   2   0.299   8.801  -0.201
    9    HA   ASP   2           HA       ASP   2  -1.437  10.396   1.398
   10    HB2  ASP   2          2HB       ASP   2  -2.006   9.314  -1.390
   11    HB3  ASP   2          1HB       ASP   2  -2.924  10.540  -0.541
   12    HA   PRO   3           HA       PRO   3  -3.777   7.534   3.684
   13    HB2  PRO   3          2HB       PRO   3  -6.021   9.189   2.617
   14    HB3  PRO   3          1HB       PRO   3  -5.741   8.595   4.258
   15    HG2  PRO   3          2HG       PRO   3  -5.131  11.083   3.617
   16    HG3  PRO   3          1HG       PRO   3  -4.077  10.134   4.679
   17    HD2  PRO   3          2HD       PRO   3  -3.665  10.968   1.873
   18    HD3  PRO   3          1HD       PRO   3  -2.478  10.588   3.141
   19    H    GLU   4           H        GLU   4  -5.681   8.330   0.736
   20    HA   GLU   4           HA       GLU   4  -7.096   5.870   0.853
   21    HB2  GLU   4          2HB       GLU   4  -6.875   7.877  -1.393
   22    HB3  GLU   4          1HB       GLU   4  -8.024   6.555  -1.318
   23    HG2  GLU   4          2HG       GLU   4  -9.167   7.485   0.501
   24    HG3  GLU   4          1HG       GLU   4  -7.871   8.634   0.827
   25    H    LYS   5           H        LYS   5  -4.321   6.963  -0.895
   26    HA   LYS   5           HA       LYS   5  -4.106   4.843  -2.756
   27    HB2  LYS   5          2HB       LYS   5  -1.954   6.558  -1.516
   28    HB3  LYS   5          1HB       LYS   5  -1.688   5.514  -2.896
   29    HG2  LYS   5          2HG       LYS   5  -3.333   6.874  -4.168
   30    HG3  LYS   5          1HG       LYS   5  -3.480   7.933  -2.765
   31    HD2  LYS   5          2HD       LYS   5  -1.062   8.423  -2.893
   32    HD3  LYS   5          1HD       LYS   5  -0.943   7.375  -4.296
   33    HE2  LYS   5          2HE       LYS   5  -2.394   8.826  -5.573
   34    HE3  LYS   5          1HE       LYS   5  -2.688   9.826  -4.151
   35    HZ1  LYS   5          1HZ       LYS   5  -1.032  10.825  -5.628
   36    HZ2  LYS   5          2HZ       LYS   5  -0.028   9.481  -5.451
   37    HZ3  LYS   5          3HZ       LYS   5  -0.395  10.455  -4.119
   38    H    ARG   6           H        ARG   6  -2.451   5.369   0.344
   39    HA   ARG   6           HA       ARG   6  -1.333   2.752   0.283
   40    HB2  ARG   6          2HB       ARG   6  -0.556   3.179   2.593
   41    HB3  ARG   6          1HB       ARG   6  -0.047   4.383   1.425
   42    HG2  ARG   6          2HG       ARG   6  -1.549   5.983   2.274
   43    HG3  ARG   6          1HG       ARG   6  -2.428   4.771   3.208
   44    HD2  ARG   6          2HD       ARG   6  -0.893   6.198   4.556
   45    HD3  ARG   6          1HD       ARG   6  -0.588   4.472   4.685
   46    HE   ARG   6           HE       ARG   6   1.048   5.424   2.664
   47   HH11  ARG   6          1HH1      ARG   6   0.644   6.027   6.127
   48   HH12  ARG   6          2HH1      ARG   6   2.300   6.251   6.419
   49   HH21  ARG   6          1HH2      ARG   6   3.344   5.671   3.111
   50   HH22  ARG   6          2HH2      ARG   6   3.842   6.047   4.703
   51    H    LYS   7           H        LYS   7  -4.258   4.093   1.647
   52    HA   LYS   7           HA       LYS   7  -4.780   1.976   3.414
   53    HB2  LYS   7          2HB       LYS   7  -6.108   4.157   3.317
   54    HB3  LYS   7          1HB       LYS   7  -6.867   3.496   1.867
   55    HG2  LYS   7          2HG       LYS   7  -8.333   3.155   3.766
   56    HG3  LYS   7          1HG       LYS   7  -7.736   1.614   3.164
   57    HD2  LYS   7          2HD       LYS   7  -6.019   1.576   4.941
   58    HD3  LYS   7          1HD       LYS   7  -6.646   3.102   5.558
   59    HE2  LYS   7          2HE       LYS   7  -8.198   0.522   5.376
   60    HE3  LYS   7          1HE       LYS   7  -7.413   1.119   6.835
   61    HZ1  LYS   7          1HZ       LYS   7  -8.898   3.052   6.742
   62    HZ2  LYS   7          2HZ       LYS   7  -9.732   1.601   6.844
   63    HZ3  LYS   7          3HZ       LYS   7  -9.664   2.407   5.378
   64    H    GLU   8           H        GLU   8  -5.677   2.548   0.033
   65    HA   GLU   8           HA       GLU   8  -6.958   0.131  -0.235
   66    HB2  GLU   8          2HB       GLU   8  -5.754   1.958  -2.266
   67    HB3  GLU   8          1HB       GLU   8  -6.415   0.400  -2.743
   68    HG2  GLU   8          2HG       GLU   8  -7.892   2.600  -1.335
   69    HG3  GLU   8          1HG       GLU   8  -8.049   2.148  -3.034
   70    H    CYS   9           H        CYS   9  -3.566   0.979  -0.744
   71    HA   CYS   9           HA       CYS   9  -2.857  -1.538  -1.722
   72    HB2  CYS   9          2HB       CYS   9  -1.181   0.507  -0.278
   73    HB3  CYS   9          1HB       CYS   9  -0.509  -0.997  -0.906
   74    H    GLU  10           H        GLU  10  -3.089  -0.414   1.587
   75    HA   GLU  10           HA       GLU  10  -2.101  -2.750   2.861
   76    HB2  GLU  10          2HB       GLU  10  -2.227  -0.544   3.925
   77    HB3  GLU  10          1HB       GLU  10  -3.971  -0.553   3.783
   78    HG2  GLU  10          2HG       GLU  10  -3.288  -0.998   6.058
   79    HG3  GLU  10          1HG       GLU  10  -4.080  -2.412   5.367
   80    H    LYS  11           H        LYS  11  -5.196  -1.719   1.693
   81    HA   LYS  11           HA       LYS  11  -6.775  -3.725   2.993
   82    HB2  LYS  11          2HB       LYS  11  -7.464  -1.391   2.405
   83    HB3  LYS  11          1HB       LYS  11  -7.452  -1.868   0.725
   84    HG2  LYS  11          2HG       LYS  11  -9.277  -3.379   1.099
   85    HG3  LYS  11          1HG       LYS  11  -9.248  -3.044   2.836
   86    HD2  LYS  11          2HD       LYS  11  -9.631  -0.631   2.310
   87    HD3  LYS  11          1HD       LYS  11  -9.838  -1.077   0.620
   88    HE2  LYS  11          2HE       LYS  11 -11.758  -2.456   1.217
   89    HE3  LYS  11          1HE       LYS  11 -11.525  -2.056   2.919
   90    HZ1  LYS  11          1HZ       LYS  11 -13.241  -0.667   1.957
   91    HZ2  LYS  11          2HZ       LYS  11 -12.200  -0.129   0.753
   92    HZ3  LYS  11          3HZ       LYS  11 -11.921   0.296   2.345
   93    H    LYS  12           H        LYS  12  -5.563  -3.175  -0.291
   94    HA   LYS  12           HA       LYS  12  -6.878  -5.523  -1.324
   95    HB2  LYS  12          2HB       LYS  12  -5.089  -3.485  -2.625
   96    HB3  LYS  12          1HB       LYS  12  -5.766  -4.862  -3.476
   97    HG2  LYS  12          2HG       LYS  12  -7.397  -2.709  -2.123
   98    HG3  LYS  12          1HG       LYS  12  -7.015  -2.752  -3.845
   99    HD2  LYS  12          2HD       LYS  12  -8.165  -4.924  -4.022
  100    HD3  LYS  12          1HD       LYS  12  -8.571  -4.834  -2.311
  101    HE2  LYS  12          2HE       LYS  12  -9.447  -2.861  -4.414
  102    HE3  LYS  12          1HE       LYS  12 -10.433  -4.174  -3.793
  103    HZ1  LYS  12          1HZ       LYS  12 -10.981  -2.128  -2.725
  104    HZ2  LYS  12          2HZ       LYS  12  -9.418  -1.834  -2.247
  105    HZ3  LYS  12          3HZ       LYS  12 -10.292  -3.145  -1.579
  106    H    TYR  13           H        TYR  13  -3.443  -4.564  -0.840
  107    HA   TYR  13           HA       TYR  13  -2.608  -6.998  -2.072
  108    HB2  TYR  13          2HB       TYR  13  -1.016  -4.896  -0.625
  109    HB3  TYR  13          1HB       TYR  13  -0.304  -6.332  -1.346
  110    HD1  TYR  13          1HD       TYR  13  -1.570  -3.041  -1.896
  111    HD2  TYR  13          2HD       TYR  13  -0.388  -6.605  -3.850
  112    HE1  TYR  13          1HE       TYR  13  -1.364  -1.800  -4.003
  113    HE2  TYR  13          2HE       TYR  13  -0.182  -5.398  -5.964
  114    HH   TYR  13           HH       TYR  13  -0.988  -3.375  -7.009
  115    H    THR  14           H        THR  14  -2.394  -8.841  -1.220
  116    HA   THR  14           HA       THR  14  -2.212  -9.078   1.674
  117    HB   THR  14           HB       THR  14  -3.955 -10.429   0.435
  118    HG1  THR  14          1HG       THR  14  -1.955 -12.064   1.578
  119   HG21  THR  14          1HG2      THR  14  -1.529 -11.815  -0.704
  120   HG22  THR  14          2HG2      THR  14  -2.732 -10.892  -1.609
  121   HG23  THR  14          3HG2      THR  14  -3.181 -12.409  -0.831
  122    H    ASP  15           H        ASP  15  -0.430  -8.982  -1.124
  123    HA   ASP  15           HA       ASP  15   1.759 -10.687  -0.424
  124    HB2  ASP  15          2HB       ASP  15   1.199 -10.118  -2.764
  125    HB3  ASP  15          1HB       ASP  15   1.544  -8.428  -2.424
  126    HA   PRO  16           HA       PRO  16   3.150  -7.741   2.673
  127    HB2  PRO  16          2HB       PRO  16   5.650  -9.317   2.514
  128    HB3  PRO  16          1HB       PRO  16   4.648  -8.933   3.915
  129    HG2  PRO  16          2HG       PRO  16   4.634 -11.388   2.878
  130    HG3  PRO  16          1HG       PRO  16   3.144 -10.643   3.482
  131    HD2  PRO  16          2HD       PRO  16   4.080 -10.987   0.662
  132    HD3  PRO  16          1HD       PRO  16   2.452 -11.162   1.359
  133    H    LYS  17           H        LYS  17   5.250  -8.640  -0.021
  134    HA   LYS  17           HA       LYS  17   6.959  -6.411   0.379
  135    HB2  LYS  17          2HB       LYS  17   7.843  -8.423  -0.587
  136    HB3  LYS  17          1HB       LYS  17   6.696  -8.341  -1.911
  137    HG2  LYS  17          2HG       LYS  17   7.771  -6.349  -2.756
  138    HG3  LYS  17          1HG       LYS  17   8.877  -6.339  -1.382
  139    HD2  LYS  17          2HD       LYS  17   9.817  -8.456  -2.086
  140    HD3  LYS  17          1HD       LYS  17   8.660  -8.555  -3.413
  141    HE2  LYS  17          2HE       LYS  17   9.590  -6.578  -4.422
  142    HE3  LYS  17          1HE       LYS  17  10.689  -6.365  -3.059
  143    HZ1  LYS  17          1HZ       LYS  17  11.758  -7.371  -4.976
  144    HZ2  LYS  17          2HZ       LYS  17  10.695  -8.676  -4.916
  145    HZ3  LYS  17          3HZ       LYS  17  11.781  -8.403  -3.651
  146    H    LYS  18           H        LYS  18   4.385  -7.123  -1.971
  147    HA   LYS  18           HA       LYS  18   4.620  -4.690  -3.419
  148    HB2  LYS  18          2HB       LYS  18   2.186  -6.415  -2.985
  149    HB3  LYS  18          1HB       LYS  18   2.278  -5.097  -4.136
  150    HG2  LYS  18          2HG       LYS  18   3.967  -6.280  -5.401
  151    HG3  LYS  18          1HG       LYS  18   3.978  -7.566  -4.182
  152    HD2  LYS  18          2HD       LYS  18   1.634  -8.034  -4.645
  153    HD3  LYS  18          1HD       LYS  18   1.618  -6.765  -5.868
  154    HE2  LYS  18          2HE       LYS  18   1.835  -9.004  -6.841
  155    HE3  LYS  18          1HE       LYS  18   3.226  -7.986  -7.192
  156    HZ1  LYS  18          1HZ       LYS  18   3.758 -10.311  -6.529
  157    HZ2  LYS  18          2HZ       LYS  18   3.245  -9.983  -4.959
  158    HZ3  LYS  18          3HZ       LYS  18   4.525  -9.134  -5.640
  159    H    ARG  19           H        ARG  19   2.702  -5.612  -0.627
  160    HA   ARG  19           HA       ARG  19   1.267  -3.211  -0.366
  161    HB2  ARG  19          2HB       ARG  19   0.575  -5.284   0.757
  162    HB3  ARG  19          1HB       ARG  19   2.032  -5.257   1.730
  163    HG2  ARG  19          2HG       ARG  19   1.293  -3.297   2.899
  164    HG3  ARG  19          1HG       ARG  19  -0.097  -3.135   1.827
  165    HD2  ARG  19          2HD       ARG  19  -0.683  -4.128   4.016
  166    HD3  ARG  19          1HD       ARG  19  -1.042  -5.193   2.662
  167    HE   ARG  19           HE       ARG  19   1.004  -6.401   3.224
  168   HH11  ARG  19          1HH1      ARG  19  -0.604  -4.542   5.799
  169   HH12  ARG  19          2HH1      ARG  19   0.161  -5.370   7.060
  170   HH21  ARG  19          1HH2      ARG  19   1.937  -7.612   4.969
  171   HH22  ARG  19          2HH2      ARG  19   1.634  -7.168   6.585
  172    H    GLU  20           H        GLU  20   4.326  -4.324   1.041
  173    HA   GLU  20           HA       GLU  20   4.816  -2.067   2.632
  174    HB2  GLU  20          2HB       GLU  20   6.018  -4.159   2.972
  175    HB3  GLU  20          1HB       GLU  20   6.759  -4.015   1.388
  176    HG2  GLU  20          2HG       GLU  20   7.963  -2.052   2.092
  177    HG3  GLU  20          1HG       GLU  20   7.168  -2.097   3.664
  178    H    GLU  21           H        GLU  21   6.015  -2.884  -0.617
  179    HA   GLU  21           HA       GLU  21   7.406  -0.483  -0.913
  180    HB2  GLU  21          2HB       GLU  21   6.405  -2.449  -2.910
  181    HB3  GLU  21          1HB       GLU  21   7.206  -0.957  -3.392
  182    HG2  GLU  21          2HG       GLU  21   8.342  -3.145  -1.648
  183    HG3  GLU  21          1HG       GLU  21   8.805  -2.787  -3.312
  184    H    CYS  22           H        CYS  22   4.044  -1.219  -1.538
  185    HA   CYS  22           HA       CYS  22   3.697   1.213  -2.882
  186    HB2  CYS  22          2HB       CYS  22   1.968  -0.494  -3.161
  187    HB3  CYS  22          1HB       CYS  22   1.598  -0.437  -1.437
  188    H    LYS  23           H        LYS  23   3.375   0.191   0.460
  189    HA   LYS  23           HA       LYS  23   2.278   2.513   1.588
  190    HB2  LYS  23          2HB       LYS  23   2.323   0.298   2.619
  191    HB3  LYS  23          1HB       LYS  23   4.064   0.378   2.740
  192    HG2  LYS  23          2HG       LYS  23   3.883   2.164   4.375
  193    HG3  LYS  23          1HG       LYS  23   2.118   2.141   4.215
  194    HD2  LYS  23          2HD       LYS  23   2.079  -0.197   4.923
  195    HD3  LYS  23          1HD       LYS  23   3.832  -0.182   5.078
  196    HE2  LYS  23          2HE       LYS  23   3.688   1.447   6.855
  197    HE3  LYS  23          1HE       LYS  23   1.937   1.549   6.659
  198    HZ1  LYS  23          1HZ       LYS  23   1.814  -0.808   7.250
  199    HZ2  LYS  23          2HZ       LYS  23   2.470   0.088   8.489
  200    HZ3  LYS  23          3HZ       LYS  23   3.469  -0.853   7.525
  201    H    ARG  24           H        ARG  24   5.545   1.633   0.788
  202    HA   ARG  24           HA       ARG  24   6.765   3.831   2.204
  203    HB2  ARG  24          2HB       ARG  24   7.918   1.917   0.178
  204    HB3  ARG  24          1HB       ARG  24   8.854   3.048   1.143
  205    HG2  ARG  24          2HG       ARG  24   8.219   1.913   3.171
  206    HG3  ARG  24          1HG       ARG  24   7.138   0.852   2.271
  207    HD2  ARG  24          2HD       ARG  24   9.110  -0.376   2.718
  208    HD3  ARG  24          1HD       ARG  24   9.142   0.041   1.008
  209    HE   ARG  24           HE       ARG  24  10.523   1.921   2.638
  210   HH11  ARG  24          1HH1      ARG  24  10.848  -1.043   0.713
  211   HH12  ARG  24          2HH1      ARG  24  12.541  -1.183   0.952
  212   HH21  ARG  24          1HH2      ARG  24  12.865   1.758   2.888
  213   HH22  ARG  24          2HH2      ARG  24  13.704   0.452   2.184
  214    H    LYS  25           H        LYS  25   5.174   3.526  -0.738
  215    HA   LYS  25           HA       LYS  25   6.619   5.790  -1.928
  216    HB2  LYS  25          2HB       LYS  25   6.567   3.811  -3.334
  217    HB3  LYS  25          1HB       LYS  25   4.822   3.707  -3.170
  218    HG2  LYS  25          2HG       LYS  25   4.603   5.840  -4.371
  219    HG3  LYS  25          1HG       LYS  25   6.356   5.887  -4.571
  220    HD2  LYS  25          2HD       LYS  25   6.280   3.799  -5.826
  221    HD3  LYS  25          1HD       LYS  25   4.533   3.714  -5.581
  222    HE2  LYS  25          2HE       LYS  25   4.251   5.785  -6.822
  223    HE3  LYS  25          1HE       LYS  25   5.994   5.894  -7.040
  224    HZ1  LYS  25          1HZ       LYS  25   5.933   3.847  -8.324
  225    HZ2  LYS  25          2HZ       LYS  25   4.895   4.996  -8.989
  226    HZ3  LYS  25          3HZ       LYS  25   4.263   3.724  -8.096
  227    H    ALA  26           H        ALA  26   3.389   4.452  -1.486
  228    HA   ALA  26           HA       ALA  26   2.150   6.983  -2.032
  229    HB1  ALA  26          1HB       ALA  26   0.985   4.287  -1.345
  230    HB2  ALA  26          2HB       ALA  26   1.155   4.966  -2.966
  231    HB3  ALA  26          3HB       ALA  26   0.066   5.720  -1.799
  Start of MODEL   10
    1    H    HIS   1           H        HIS   1   1.593   8.084  -1.083
    2    HA   HIS   1           HA       HIS   1   2.797   8.910   1.442
    3    HB2  HIS   1          2HB       HIS   1   2.251  10.403  -1.137
    4    HB3  HIS   1          1HB       HIS   1   2.932  11.162   0.296
    5    HD1  HIS   1          1HD       HIS   1   3.815   8.580  -2.369
    6    HD2  HIS   1          2HD       HIS   1   5.621  10.814   0.634
    7    HE1  HIS   1          1HE       HIS   1   6.290   8.316  -2.702
    8    H    ASP   2           H        ASP   2  -0.145   8.509   0.030
    9    HA   ASP   2           HA       ASP   2  -1.461  10.423   1.838
   10    HB2  ASP   2          2HB       ASP   2  -2.543   9.107  -0.669
   11    HB3  ASP   2          1HB       ASP   2  -3.508  10.065   0.441
   12    HA   PRO   3           HA       PRO   3  -2.865   7.013   4.297
   13    HB2  PRO   3          2HB       PRO   3  -5.339   8.066   5.016
   14    HB3  PRO   3          1HB       PRO   3  -3.816   8.399   5.844
   15    HG2  PRO   3          2HG       PRO   3  -5.245  10.028   3.784
   16    HG3  PRO   3          1HG       PRO   3  -4.387  10.567   5.237
   17    HD2  PRO   3          2HD       PRO   3  -3.285  10.787   2.821
   18    HD3  PRO   3          1HD       PRO   3  -2.300  10.345   4.232
   19    H    GLU   4           H        GLU   4  -5.007   8.459   1.916
   20    HA   GLU   4           HA       GLU   4  -6.788   6.268   1.704
   21    HB2  GLU   4          2HB       GLU   4  -7.453   7.313  -0.466
   22    HB3  GLU   4          1HB       GLU   4  -7.546   8.380   0.926
   23    HG2  GLU   4          2HG       GLU   4  -5.582   9.534   0.283
   24    HG3  GLU   4          1HG       GLU   4  -5.207   8.340  -0.959
   25    H    LYS   5           H        LYS   5  -3.794   7.110   0.029
   26    HA   LYS   5           HA       LYS   5  -3.899   5.111  -1.964
   27    HB2  LYS   5          2HB       LYS   5  -2.390   7.235  -1.725
   28    HB3  LYS   5          1HB       LYS   5  -1.391   6.216  -0.717
   29    HG2  LYS   5          2HG       LYS   5  -0.420   6.137  -2.867
   30    HG3  LYS   5          1HG       LYS   5  -1.265   4.599  -2.664
   31    HD2  LYS   5          2HD       LYS   5  -1.726   5.422  -4.854
   32    HD3  LYS   5          1HD       LYS   5  -3.198   5.605  -3.908
   33    HE2  LYS   5          2HE       LYS   5  -2.569   7.991  -3.492
   34    HE3  LYS   5          1HE       LYS   5  -1.189   7.768  -4.560
   35    HZ1  LYS   5          1HZ       LYS   5  -4.033   7.482  -5.313
   36    HZ2  LYS   5          2HZ       LYS   5  -2.723   7.322  -6.372
   37    HZ3  LYS   5          3HZ       LYS   5  -3.065   8.809  -5.650
   38    H    ARG   6           H        ARG   6  -2.509   5.428   1.222
   39    HA   ARG   6           HA       ARG   6  -1.202   2.993   1.566
   40    HB2  ARG   6          2HB       ARG   6  -0.990   4.912   3.057
   41    HB3  ARG   6          1HB       ARG   6  -2.662   4.737   3.547
   42    HG2  ARG   6          2HG       ARG   6  -2.100   2.560   4.552
   43    HG3  ARG   6          1HG       ARG   6  -0.405   2.835   4.127
   44    HD2  ARG   6          2HD       ARG   6  -0.418   4.900   5.445
   45    HD3  ARG   6          1HD       ARG   6  -2.098   4.609   5.878
   46    HE   ARG   6           HE       ARG   6  -0.697   2.364   6.604
   47   HH11  ARG   6          1HH1      ARG   6  -0.754   5.799   7.494
   48   HH12  ARG   6          2HH1      ARG   6  -0.157   5.544   9.063
   49   HH21  ARG   6          1HH2      ARG   6   0.085   2.027   8.806
   50   HH22  ARG   6          2HH2      ARG   6   0.329   3.380   9.830
   51    H    LYS   7           H        LYS   7  -4.525   3.929   2.246
   52    HA   LYS   7           HA       LYS   7  -5.521   1.522   3.295
   53    HB2  LYS   7          2HB       LYS   7  -6.579   3.821   3.330
   54    HB3  LYS   7          1HB       LYS   7  -6.964   3.559   1.635
   55    HG2  LYS   7          2HG       LYS   7  -8.911   3.137   2.944
   56    HG3  LYS   7          1HG       LYS   7  -8.327   1.631   2.259
   57    HD2  LYS   7          2HD       LYS   7  -7.396   0.910   4.317
   58    HD3  LYS   7          1HD       LYS   7  -7.602   2.501   5.047
   59    HE2  LYS   7          2HE       LYS   7  -9.272   0.872   5.833
   60    HE3  LYS   7          1HE       LYS   7 -10.001   2.248   5.012
   61    HZ1  LYS   7          1HZ       LYS   7 -10.972   0.119   4.422
   62    HZ2  LYS   7          2HZ       LYS   7  -9.514  -0.403   3.759
   63    HZ3  LYS   7          3HZ       LYS   7 -10.358   0.909   3.079
   64    H    GLU   8           H        GLU   8  -5.345   2.812   0.026
   65    HA   GLU   8           HA       GLU   8  -6.825   0.847  -1.252
   66    HB2  GLU   8          2HB       GLU   8  -5.697   3.198  -1.994
   67    HB3  GLU   8          1HB       GLU   8  -4.553   2.095  -2.728
   68    HG2  GLU   8          2HG       GLU   8  -7.518   2.166  -3.265
   69    HG3  GLU   8          1HG       GLU   8  -6.280   2.869  -4.289
   70    H    CYS   9           H        CYS   9  -3.372   1.216  -0.587
   71    HA   CYS   9           HA       CYS   9  -2.353  -1.129  -1.786
   72    HB2  CYS   9          2HB       CYS   9  -1.319   0.349   0.640
   73    HB3  CYS   9          1HB       CYS   9  -0.417  -0.842  -0.282
   74    H    GLU  10           H        GLU  10  -3.607  -0.471   1.427
   75    HA   GLU  10           HA       GLU  10  -2.939  -2.868   2.733
   76    HB2  GLU  10          2HB       GLU  10  -3.747  -0.635   3.698
   77    HB3  GLU  10          1HB       GLU  10  -5.363  -1.150   3.262
   78    HG2  GLU  10          2HG       GLU  10  -4.988  -1.576   5.586
   79    HG3  GLU  10          1HG       GLU  10  -5.089  -3.114   4.728
   80    H    LYS  11           H        LYS  11  -5.670  -1.839   0.842
   81    HA   LYS  11           HA       LYS  11  -7.218  -4.207   1.166
   82    HB2  LYS  11          2HB       LYS  11  -8.259  -2.102   0.644
   83    HB3  LYS  11          1HB       LYS  11  -7.328  -1.952  -0.832
   84    HG2  LYS  11          2HG       LYS  11  -8.511  -3.869  -1.785
   85    HG3  LYS  11          1HG       LYS  11  -9.436  -4.040  -0.294
   86    HD2  LYS  11          2HD       LYS  11  -9.433  -1.563  -2.017
   87    HD3  LYS  11          1HD       LYS  11 -10.652  -2.831  -2.116
   88    HE2  LYS  11          2HE       LYS  11 -11.258  -2.431   0.222
   89    HE3  LYS  11          1HE       LYS  11 -10.017  -1.191   0.342
   90    HZ1  LYS  11          1HZ       LYS  11 -12.369  -1.052  -1.479
   91    HZ2  LYS  11          2HZ       LYS  11 -11.215   0.169  -1.208
   92    HZ3  LYS  11          3HZ       LYS  11 -12.226  -0.307   0.019
   93    H    LYS  12           H        LYS  12  -5.333  -2.914  -1.555
   94    HA   LYS  12           HA       LYS  12  -5.780  -5.014  -3.338
   95    HB2  LYS  12          2HB       LYS  12  -3.712  -2.880  -3.206
   96    HB3  LYS  12          1HB       LYS  12  -3.648  -4.112  -4.448
   97    HG2  LYS  12          2HG       LYS  12  -5.963  -2.258  -3.961
   98    HG3  LYS  12          1HG       LYS  12  -4.718  -2.035  -5.190
   99    HD2  LYS  12          2HD       LYS  12  -5.357  -4.276  -6.114
  100    HD3  LYS  12          1HD       LYS  12  -6.724  -4.274  -4.999
  101    HE2  LYS  12          2HE       LYS  12  -6.170  -2.200  -7.097
  102    HE3  LYS  12          1HE       LYS  12  -7.344  -3.503  -7.242
  103    HZ1  LYS  12          1HZ       LYS  12  -7.427  -1.343  -5.192
  104    HZ2  LYS  12          2HZ       LYS  12  -8.600  -2.545  -5.436
  105    HZ3  LYS  12          3HZ       LYS  12  -8.301  -1.383  -6.625
  106    H    TYR  13           H        TYR  13  -3.001  -4.555  -1.174
  107    HA   TYR  13           HA       TYR  13  -1.950  -7.026  -2.334
  108    HB2  TYR  13          2HB       TYR  13  -0.472  -4.862  -0.844
  109    HB3  TYR  13          1HB       TYR  13   0.248  -6.301  -1.560
  110    HD1  TYR  13          1HD       TYR  13   0.205  -6.578  -4.057
  111    HD2  TYR  13          2HD       TYR  13  -0.956  -2.957  -2.163
  112    HE1  TYR  13          1HE       TYR  13   0.426  -5.406  -6.182
  113    HE2  TYR  13          2HE       TYR  13  -0.731  -1.770  -4.279
  114    HH   TYR  13           HH       TYR  13   0.524  -2.065  -6.429
  115    H    THR  14           H        THR  14  -2.266  -8.775  -1.211
  116    HA   THR  14           HA       THR  14  -2.579  -8.666   1.643
  117    HB   THR  14           HB       THR  14  -2.876 -11.183   1.335
  118    HG1  THR  14          1HG       THR  14  -2.079 -11.842  -0.505
  119   HG21  THR  14          1HG2      THR  14  -4.664  -9.382  -0.314
  120   HG22  THR  14          2HG2      THR  14  -4.833  -9.703   1.413
  121   HG23  THR  14          3HG2      THR  14  -5.085 -10.997   0.249
  122    H    ASP  15           H        ASP  15  -0.150  -9.083  -0.664
  123    HA   ASP  15           HA       ASP  15   1.621 -10.678   0.932
  124    HB2  ASP  15          2HB       ASP  15   1.719 -10.871  -1.492
  125    HB3  ASP  15          1HB       ASP  15   2.123  -9.162  -1.637
  126    HA   PRO  16           HA       PRO  16   3.206  -7.353   3.422
  127    HB2  PRO  16          2HB       PRO  16   5.641  -9.041   3.531
  128    HB3  PRO  16          1HB       PRO  16   4.676  -8.354   4.845
  129    HG2  PRO  16          2HG       PRO  16   4.522 -10.941   4.275
  130    HG3  PRO  16          1HG       PRO  16   3.072 -10.017   4.714
  131    HD2  PRO  16          2HD       PRO  16   3.991 -10.928   2.019
  132    HD3  PRO  16          1HD       PRO  16   2.359 -10.874   2.723
  133    H    LYS  17           H        LYS  17   5.266  -8.685   0.780
  134    HA   LYS  17           HA       LYS  17   7.068  -6.441   0.969
  135    HB2  LYS  17          2HB       LYS  17   6.832  -8.578  -1.152
  136    HB3  LYS  17          1HB       LYS  17   8.006  -7.286  -1.206
  137    HG2  LYS  17          2HG       LYS  17   9.180  -9.146  -0.431
  138    HG3  LYS  17          1HG       LYS  17   8.863  -8.187   1.009
  139    HD2  LYS  17          2HD       LYS  17   7.087  -9.668   1.664
  140    HD3  LYS  17          1HD       LYS  17   7.207 -10.556   0.141
  141    HE2  LYS  17          2HE       LYS  17   9.549 -11.143   0.739
  142    HE3  LYS  17          1HE       LYS  17   9.304 -10.375   2.302
  143    HZ1  LYS  17          1HZ       LYS  17   7.566 -11.983   2.777
  144    HZ2  LYS  17          2HZ       LYS  17   9.003 -12.782   2.370
  145    HZ3  LYS  17          3HZ       LYS  17   7.760 -12.672   1.255
  146    H    LYS  18           H        LYS  18   4.504  -7.519  -1.120
  147    HA   LYS  18           HA       LYS  18   4.642  -5.315  -2.877
  148    HB2  LYS  18          2HB       LYS  18   2.363  -7.172  -2.228
  149    HB3  LYS  18          1HB       LYS  18   2.281  -5.939  -3.476
  150    HG2  LYS  18          2HG       LYS  18   4.286  -8.186  -3.418
  151    HG3  LYS  18          1HG       LYS  18   2.792  -8.172  -4.365
  152    HD2  LYS  18          2HD       LYS  18   3.537  -6.243  -5.596
  153    HD3  LYS  18          1HD       LYS  18   5.000  -6.118  -4.623
  154    HE2  LYS  18          2HE       LYS  18   5.525  -7.152  -6.739
  155    HE3  LYS  18          1HE       LYS  18   5.701  -8.322  -5.439
  156    HZ1  LYS  18          1HZ       LYS  18   3.421  -8.105  -7.317
  157    HZ2  LYS  18          2HZ       LYS  18   3.500  -9.191  -6.027
  158    HZ3  LYS  18          3HZ       LYS  18   4.601  -9.306  -7.302
  159    H    ARG  19           H        ARG  19   2.877  -5.816   0.100
  160    HA   ARG  19           HA       ARG  19   1.507  -3.341   0.003
  161    HB2  ARG  19          2HB       ARG  19   0.842  -5.227   1.474
  162    HB3  ARG  19          1HB       ARG  19   2.292  -4.963   2.431
  163    HG2  ARG  19          2HG       ARG  19   1.494  -2.772   3.087
  164    HG3  ARG  19          1HG       ARG  19   0.063  -2.969   2.071
  165    HD2  ARG  19          2HD       ARG  19   0.813  -4.675   4.443
  166    HD3  ARG  19          1HD       ARG  19  -0.455  -3.448   4.403
  167    HE   ARG  19           HE       ARG  19  -1.116  -5.123   2.375
  168   HH11  ARG  19          1HH1      ARG  19  -0.494  -5.657   5.804
  169   HH12  ARG  19          2HH1      ARG  19  -1.563  -6.975   5.920
  170   HH21  ARG  19          1HH2      ARG  19  -2.554  -6.898   2.546
  171   HH22  ARG  19          2HH2      ARG  19  -2.758  -7.708   4.038
  172    H    GLU  20           H        GLU  20   4.634  -4.351   1.255
  173    HA   GLU  20           HA       GLU  20   5.448  -2.027   2.599
  174    HB2  GLU  20          2HB       GLU  20   6.586  -4.268   2.639
  175    HB3  GLU  20          1HB       GLU  20   7.127  -3.974   1.004
  176    HG2  GLU  20          2HG       GLU  20   8.896  -3.581   2.615
  177    HG3  GLU  20          1HG       GLU  20   8.469  -2.100   1.760
  178    H    GLU  21           H        GLU  21   6.101  -3.113  -0.701
  179    HA   GLU  21           HA       GLU  21   7.371  -0.818  -1.646
  180    HB2  GLU  21          2HB       GLU  21   5.842  -2.984  -3.032
  181    HB3  GLU  21          1HB       GLU  21   6.627  -1.679  -3.904
  182    HG2  GLU  21          2HG       GLU  21   7.997  -3.622  -2.048
  183    HG3  GLU  21          1HG       GLU  21   7.985  -3.732  -3.809
  184    H    CYS  22           H        CYS  22   3.964  -1.677  -1.584
  185    HA   CYS  22           HA       CYS  22   3.224   0.529  -3.165
  186    HB2  CYS  22          2HB       CYS  22   1.836  -1.558  -2.826
  187    HB3  CYS  22          1HB       CYS  22   1.429  -0.940  -1.231
  188    H    LYS  23           H        LYS  23   3.363  -0.061   0.340
  189    HA   LYS  23           HA       LYS  23   2.296   2.296   1.365
  190    HB2  LYS  23          2HB       LYS  23   2.917   0.377   2.731
  191    HB3  LYS  23          1HB       LYS  23   4.606   0.631   2.324
  192    HG2  LYS  23          2HG       LYS  23   4.430   2.873   3.482
  193    HG3  LYS  23          1HG       LYS  23   2.846   2.357   4.061
  194    HD2  LYS  23          2HD       LYS  23   4.567   1.944   5.753
  195    HD3  LYS  23          1HD       LYS  23   3.897   0.419   5.165
  196    HE2  LYS  23          2HE       LYS  23   5.825   0.116   3.700
  197    HE3  LYS  23          1HE       LYS  23   6.470   1.676   4.209
  198    HZ1  LYS  23          1HZ       LYS  23   7.446  -0.286   5.198
  199    HZ2  LYS  23          2HZ       LYS  23   6.012  -0.620   6.022
  200    HZ3  LYS  23          3HZ       LYS  23   6.882   0.808   6.349
  201    H    ARG  24           H        ARG  24   5.438   1.603   0.042
  202    HA   ARG  24           HA       ARG  24   6.709   4.006   0.809
  203    HB2  ARG  24          2HB       ARG  24   7.365   1.947  -1.280
  204    HB3  ARG  24          1HB       ARG  24   8.396   3.341  -0.946
  205    HG2  ARG  24          2HG       ARG  24   8.719   2.662   1.290
  206    HG3  ARG  24          1HG       ARG  24   7.539   1.363   1.141
  207    HD2  ARG  24          2HD       ARG  24   8.994   0.176  -0.365
  208    HD3  ARG  24          1HD       ARG  24  10.128   1.528  -0.403
  209    HE   ARG  24           HE       ARG  24  10.021   1.024   2.186
  210   HH11  ARG  24          1HH1      ARG  24  10.303  -1.368  -0.460
  211   HH12  ARG  24          2HH1      ARG  24  11.367  -2.346   0.426
  212   HH21  ARG  24          1HH2      ARG  24  11.480  -0.377   3.337
  213   HH22  ARG  24          2HH2      ARG  24  12.049  -1.805   2.595
  214    H    LYS  25           H        LYS  25   4.592   3.248  -1.774
  215    HA   LYS  25           HA       LYS  25   5.212   5.754  -3.134
  216    HB2  LYS  25          2HB       LYS  25   4.879   3.712  -4.509
  217    HB3  LYS  25          1HB       LYS  25   3.270   3.533  -3.839
  218    HG2  LYS  25          2HG       LYS  25   3.207   4.456  -6.086
  219    HG3  LYS  25          1HG       LYS  25   2.568   5.602  -4.906
  220    HD2  LYS  25          2HD       LYS  25   4.722   6.795  -4.919
  221    HD3  LYS  25          1HD       LYS  25   5.344   5.650  -6.112
  222    HE2  LYS  25          2HE       LYS  25   2.988   7.493  -6.485
  223    HE3  LYS  25          1HE       LYS  25   4.600   7.743  -7.149
  224    HZ1  LYS  25          1HZ       LYS  25   3.053   6.785  -8.752
  225    HZ2  LYS  25          2HZ       LYS  25   2.861   5.422  -7.775
  226    HZ3  LYS  25          3HZ       LYS  25   4.357   5.765  -8.460
  227    H    ALA  26           H        ALA  26   3.035   4.287  -0.965
  228    HA   ALA  26           HA       ALA  26   0.850   6.062  -1.286
  229    HB1  ALA  26          1HB       ALA  26   1.487   4.204   0.988
  230    HB2  ALA  26          2HB       ALA  26   0.578   3.767  -0.460
  231    HB3  ALA  26          3HB       ALA  26  -0.069   4.965   0.664
  Start of MODEL   11
    1    H    HIS   1           H        HIS   1   2.091   7.958  -0.600
    2    HA   HIS   1           HA       HIS   1   2.849   7.447   2.159
    3    HB2  HIS   1          2HB       HIS   1   3.024   9.951   0.464
    4    HB3  HIS   1          1HB       HIS   1   3.509   9.875   2.151
    5    HD1  HIS   1          1HD       HIS   1   4.760   9.252  -1.262
    6    HD2  HIS   1          2HD       HIS   1   5.772   8.163   2.621
    7    HE1  HIS   1          1HE       HIS   1   7.130   8.409  -1.368
    8    H    ASP   2           H        ASP   2   0.198   8.429   0.392
    9    HA   ASP   2           HA       ASP   2  -0.972   9.991   2.545
   10    HB2  ASP   2          2HB       ASP   2  -2.041   9.290  -0.195
   11    HB3  ASP   2          1HB       ASP   2  -2.911  10.245   0.996
   12    HA   PRO   3           HA       PRO   3  -2.896   6.722   4.652
   13    HB2  PRO   3          2HB       PRO   3  -5.361   7.921   5.170
   14    HB3  PRO   3          1HB       PRO   3  -3.914   8.049   6.174
   15    HG2  PRO   3          2HG       PRO   3  -4.976   9.929   4.116
   16    HG3  PRO   3          1HG       PRO   3  -4.177  10.288   5.656
   17    HD2  PRO   3          2HD       PRO   3  -2.880  10.536   3.348
   18    HD3  PRO   3          1HD       PRO   3  -2.053   9.891   4.784
   19    H    GLU   4           H        GLU   4  -5.184   8.292   2.370
   20    HA   GLU   4           HA       GLU   4  -6.885   6.036   2.201
   21    HB2  GLU   4          2HB       GLU   4  -7.611   8.316   1.588
   22    HB3  GLU   4          1HB       GLU   4  -6.498   8.280   0.226
   23    HG2  GLU   4          2HG       GLU   4  -7.756   6.413  -0.736
   24    HG3  GLU   4          1HG       GLU   4  -8.901   6.514   0.594
   25    H    LYS   5           H        LYS   5  -4.199   7.167   0.241
   26    HA   LYS   5           HA       LYS   5  -4.464   5.234  -1.819
   27    HB2  LYS   5          2HB       LYS   5  -1.935   6.661  -0.973
   28    HB3  LYS   5          1HB       LYS   5  -2.222   5.887  -2.520
   29    HG2  LYS   5          2HG       LYS   5  -3.515   8.395  -1.455
   30    HG3  LYS   5          1HG       LYS   5  -2.381   8.261  -2.797
   31    HD2  LYS   5          2HD       LYS   5  -5.191   7.180  -2.678
   32    HD3  LYS   5          1HD       LYS   5  -4.660   8.585  -3.595
   33    HE2  LYS   5          2HE       LYS   5  -3.209   7.102  -4.957
   34    HE3  LYS   5          1HE       LYS   5  -3.805   5.723  -4.043
   35    HZ1  LYS   5          1HZ       LYS   5  -5.476   7.518  -5.705
   36    HZ2  LYS   5          2HZ       LYS   5  -6.044   6.207  -4.831
   37    HZ3  LYS   5          3HZ       LYS   5  -4.995   5.961  -6.131
   38    H    ARG   6           H        ARG   6  -2.721   5.386   1.176
   39    HA   ARG   6           HA       ARG   6  -1.248   3.011   0.844
   40    HB2  ARG   6          2HB       ARG   6  -0.630   4.805   2.402
   41    HB3  ARG   6          1HB       ARG   6  -2.053   4.451   3.366
   42    HG2  ARG   6          2HG       ARG   6  -1.179   2.295   3.951
   43    HG3  ARG   6          1HG       ARG   6   0.201   2.527   2.870
   44    HD2  ARG   6          2HD       ARG   6  -0.454   4.245   5.254
   45    HD3  ARG   6          1HD       ARG   6   0.767   2.971   5.215
   46    HE   ARG   6           HE       ARG   6   1.354   4.683   3.132
   47   HH11  ARG   6          1HH1      ARG   6   1.116   4.968   6.661
   48   HH12  ARG   6          2HH1      ARG   6   2.365   6.107   6.793
   49   HH21  ARG   6          1HH2      ARG   6   3.129   6.201   3.336
   50   HH22  ARG   6          2HH2      ARG   6   3.537   6.822   4.866
   51    H    LYS   7           H        LYS   7  -4.404   3.720   2.314
   52    HA   LYS   7           HA       LYS   7  -4.946   1.137   3.300
   53    HB2  LYS   7          2HB       LYS   7  -6.368   3.143   3.812
   54    HB3  LYS   7          1HB       LYS   7  -6.914   3.091   2.131
   55    HG2  LYS   7          2HG       LYS   7  -7.877   0.915   2.453
   56    HG3  LYS   7          1HG       LYS   7  -7.330   0.875   4.120
   57    HD2  LYS   7          2HD       LYS   7  -8.749   2.908   4.531
   58    HD3  LYS   7          1HD       LYS   7  -9.333   2.735   2.874
   59    HE2  LYS   7          2HE       LYS   7 -10.909   1.752   4.424
   60    HE3  LYS   7          1HE       LYS   7 -10.191   0.520   3.390
   61    HZ1  LYS   7          1HZ       LYS   7 -10.333  -0.172   5.715
   62    HZ2  LYS   7          2HZ       LYS   7  -9.347   1.104   6.182
   63    HZ3  LYS   7          3HZ       LYS   7  -8.728  -0.120   5.219
   64    H    GLU   8           H        GLU   8  -5.596   2.697   0.243
   65    HA   GLU   8           HA       GLU   8  -6.957   0.762  -1.086
   66    HB2  GLU   8          2HB       GLU   8  -6.547   3.083  -1.857
   67    HB3  GLU   8          1HB       GLU   8  -4.875   2.683  -2.167
   68    HG2  GLU   8          2HG       GLU   8  -5.993   2.776  -4.246
   69    HG3  GLU   8          1HG       GLU   8  -5.669   1.080  -3.901
   70    H    CYS   9           H        CYS   9  -3.429   1.274  -0.866
   71    HA   CYS   9           HA       CYS   9  -2.528  -0.937  -2.356
   72    HB2  CYS   9          2HB       CYS   9  -1.208   0.428  -0.013
   73    HB3  CYS   9          1HB       CYS   9  -0.425  -0.728  -1.075
   74    H    GLU  10           H        GLU  10  -3.127  -0.614   1.116
   75    HA   GLU  10           HA       GLU  10  -2.249  -3.165   1.911
   76    HB2  GLU  10          2HB       GLU  10  -2.481  -1.268   3.429
   77    HB3  GLU  10          1HB       GLU  10  -4.212  -1.243   3.172
   78    HG2  GLU  10          2HG       GLU  10  -4.470  -3.311   4.353
   79    HG3  GLU  10          1HG       GLU  10  -2.721  -3.518   4.460
   80    H    LYS  11           H        LYS  11  -5.238  -2.042   0.641
   81    HA   LYS  11           HA       LYS  11  -6.821  -4.351   1.262
   82    HB2  LYS  11          2HB       LYS  11  -7.761  -2.102   0.889
   83    HB3  LYS  11          1HB       LYS  11  -7.157  -2.163  -0.755
   84    HG2  LYS  11          2HG       LYS  11  -8.673  -4.089  -1.178
   85    HG3  LYS  11          1HG       LYS  11  -9.337  -3.864   0.444
   86    HD2  LYS  11          2HD       LYS  11 -10.760  -2.769  -1.195
   87    HD3  LYS  11          1HD       LYS  11  -9.978  -1.562  -0.172
   88    HE2  LYS  11          2HE       LYS  11  -8.277  -1.194  -1.924
   89    HE3  LYS  11          1HE       LYS  11  -9.089  -2.394  -2.926
   90    HZ1  LYS  11          1HZ       LYS  11 -10.282   0.125  -1.968
   91    HZ2  LYS  11          2HZ       LYS  11 -10.959  -0.924  -3.118
   92    HZ3  LYS  11          3HZ       LYS  11  -9.509  -0.085  -3.431
   93    H    LYS  12           H        LYS  12  -5.165  -3.080  -1.593
   94    HA   LYS  12           HA       LYS  12  -5.950  -5.102  -3.410
   95    HB2  LYS  12          2HB       LYS  12  -5.206  -2.835  -4.066
   96    HB3  LYS  12          1HB       LYS  12  -3.584  -3.233  -3.543
   97    HG2  LYS  12          2HG       LYS  12  -3.398  -4.929  -5.277
   98    HG3  LYS  12          1HG       LYS  12  -5.059  -4.619  -5.787
   99    HD2  LYS  12          2HD       LYS  12  -4.422  -2.284  -6.327
  100    HD3  LYS  12          1HD       LYS  12  -2.763  -2.659  -5.875
  101    HE2  LYS  12          2HE       LYS  12  -4.303  -4.022  -8.083
  102    HE3  LYS  12          1HE       LYS  12  -3.179  -2.690  -8.328
  103    HZ1  LYS  12          1HZ       LYS  12  -1.404  -4.109  -7.427
  104    HZ2  LYS  12          2HZ       LYS  12  -2.103  -4.740  -8.792
  105    HZ3  LYS  12          3HZ       LYS  12  -2.498  -5.408  -7.302
  106    H    TYR  13           H        TYR  13  -2.923  -4.561  -1.654
  107    HA   TYR  13           HA       TYR  13  -1.909  -7.094  -2.661
  108    HB2  TYR  13          2HB       TYR  13  -0.529  -4.860  -1.179
  109    HB3  TYR  13          1HB       TYR  13   0.249  -6.319  -1.783
  110    HD1  TYR  13          1HD       TYR  13  -0.896  -3.004  -2.594
  111    HD2  TYR  13          2HD       TYR  13   0.304  -6.720  -4.266
  112    HE1  TYR  13          1HE       TYR  13  -0.545  -1.909  -4.765
  113    HE2  TYR  13          2HE       TYR  13   0.669  -5.639  -6.428
  114    HH   TYR  13           HH       TYR  13   0.755  -2.304  -6.841
  115    H    THR  14           H        THR  14  -2.272  -8.820  -1.451
  116    HA   THR  14           HA       THR  14  -2.785  -8.537   1.364
  117    HB   THR  14           HB       THR  14  -2.541 -11.093  -0.264
  118    HG1  THR  14          1HG       THR  14  -5.030 -10.657   0.027
  119   HG21  THR  14          1HG2      THR  14  -4.070 -10.467   2.278
  120   HG22  THR  14          2HG2      THR  14  -2.557 -11.363   2.201
  121   HG23  THR  14          3HG2      THR  14  -4.013 -12.031   1.463
  122    H    ASP  15           H        ASP  15  -0.141  -9.223  -0.706
  123    HA   ASP  15           HA       ASP  15   1.542 -10.529   1.198
  124    HB2  ASP  15          2HB       ASP  15   1.994 -10.823  -1.179
  125    HB3  ASP  15          1HB       ASP  15   2.193  -9.094  -1.385
  126    HA   PRO  16           HA       PRO  16   2.391  -6.943   3.712
  127    HB2  PRO  16          2HB       PRO  16   4.838  -8.366   4.480
  128    HB3  PRO  16          1HB       PRO  16   3.498  -7.808   5.479
  129    HG2  PRO  16          2HG       PRO  16   3.985 -10.440   4.751
  130    HG3  PRO  16          1HG       PRO  16   2.445  -9.834   5.365
  131    HD2  PRO  16          2HD       PRO  16   3.140 -10.710   2.667
  132    HD3  PRO  16          1HD       PRO  16   1.556 -10.338   3.354
  133    H    LYS  17           H        LYS  17   4.957  -8.440   1.738
  134    HA   LYS  17           HA       LYS  17   6.576  -6.092   1.879
  135    HB2  LYS  17          2HB       LYS  17   6.804  -8.551   0.139
  136    HB3  LYS  17          1HB       LYS  17   7.964  -7.226   0.089
  137    HG2  LYS  17          2HG       LYS  17   7.338  -8.944   2.491
  138    HG3  LYS  17          1HG       LYS  17   8.779  -9.067   1.475
  139    HD2  LYS  17          2HD       LYS  17   9.413  -6.790   2.101
  140    HD3  LYS  17          1HD       LYS  17   7.957  -6.635   3.061
  141    HE2  LYS  17          2HE       LYS  17   8.717  -8.459   4.509
  142    HE3  LYS  17          1HE       LYS  17  10.220  -8.537   3.583
  143    HZ1  LYS  17          1HZ       LYS  17   9.234  -6.098   4.924
  144    HZ2  LYS  17          2HZ       LYS  17  10.770  -6.330   4.245
  145    HZ3  LYS  17          3HZ       LYS  17  10.353  -7.135   5.654
  146    H    LYS  18           H        LYS  18   4.330  -7.353  -0.460
  147    HA   LYS  18           HA       LYS  18   4.616  -5.293  -2.370
  148    HB2  LYS  18          2HB       LYS  18   2.279  -7.035  -1.635
  149    HB3  LYS  18          1HB       LYS  18   2.183  -5.844  -2.915
  150    HG2  LYS  18          2HG       LYS  18   4.129  -8.137  -2.848
  151    HG3  LYS  18          1HG       LYS  18   2.598  -8.128  -3.719
  152    HD2  LYS  18          2HD       LYS  18   3.334  -6.211  -5.028
  153    HD3  LYS  18          1HD       LYS  18   4.878  -6.209  -4.179
  154    HE2  LYS  18          2HE       LYS  18   5.092  -7.271  -6.329
  155    HE3  LYS  18          1HE       LYS  18   5.354  -8.441  -5.041
  156    HZ1  LYS  18          1HZ       LYS  18   3.097  -9.283  -5.413
  157    HZ2  LYS  18          2HZ       LYS  18   4.006  -9.336  -6.821
  158    HZ3  LYS  18          3HZ       LYS  18   2.855  -8.137  -6.632
  159    H    ARG  19           H        ARG  19   2.729  -5.549   0.561
  160    HA   ARG  19           HA       ARG  19   1.308  -3.141   0.312
  161    HB2  ARG  19          2HB       ARG  19   0.810  -4.898   2.042
  162    HB3  ARG  19          1HB       ARG  19   2.263  -4.412   2.900
  163    HG2  ARG  19          2HG       ARG  19   1.325  -2.185   3.260
  164    HG3  ARG  19          1HG       ARG  19  -0.119  -2.645   2.368
  165    HD2  ARG  19          2HD       ARG  19  -0.577  -2.772   4.736
  166    HD3  ARG  19          1HD       ARG  19  -0.567  -4.398   4.062
  167    HE   ARG  19           HE       ARG  19   1.910  -4.252   4.952
  168   HH11  ARG  19          1HH1      ARG  19  -1.054  -3.124   6.611
  169   HH12  ARG  19          2HH1      ARG  19  -0.435  -3.468   8.152
  170   HH21  ARG  19          1HH2      ARG  19   2.710  -4.670   7.130
  171   HH22  ARG  19          2HH2      ARG  19   1.706  -4.295   8.455
  172    H    GLU  20           H        GLU  20   4.435  -3.848   1.845
  173    HA   GLU  20           HA       GLU  20   5.122  -1.229   2.603
  174    HB2  GLU  20          2HB       GLU  20   6.920  -3.525   1.789
  175    HB3  GLU  20          1HB       GLU  20   7.499  -2.023   2.481
  176    HG2  GLU  20          2HG       GLU  20   6.201  -2.519   4.530
  177    HG3  GLU  20          1HG       GLU  20   5.735  -4.057   3.794
  178    H    GLU  21           H        GLU  21   5.696  -3.024  -0.389
  179    HA   GLU  21           HA       GLU  21   7.298  -1.259  -1.753
  180    HB2  GLU  21          2HB       GLU  21   6.814  -3.629  -2.339
  181    HB3  GLU  21          1HB       GLU  21   5.201  -3.113  -2.823
  182    HG2  GLU  21          2HG       GLU  21   6.121  -1.702  -4.507
  183    HG3  GLU  21          1HG       GLU  21   7.750  -2.162  -3.997
  184    H    CYS  22           H        CYS  22   3.761  -1.642  -1.868
  185    HA   CYS  22           HA       CYS  22   3.377   0.466  -3.689
  186    HB2  CYS  22          2HB       CYS  22   1.759  -1.413  -3.217
  187    HB3  CYS  22          1HB       CYS  22   1.381  -0.605  -1.700
  188    H    LYS  23           H        LYS  23   3.418   0.251  -0.182
  189    HA   LYS  23           HA       LYS  23   2.497   2.817   0.471
  190    HB2  LYS  23          2HB       LYS  23   2.548   1.044   2.097
  191    HB3  LYS  23          1HB       LYS  23   4.281   0.866   1.922
  192    HG2  LYS  23          2HG       LYS  23   4.616   3.039   2.941
  193    HG3  LYS  23          1HG       LYS  23   2.870   3.250   3.095
  194    HD2  LYS  23          2HD       LYS  23   2.725   1.400   4.598
  195    HD3  LYS  23          1HD       LYS  23   4.413   0.977   4.326
  196    HE2  LYS  23          2HE       LYS  23   3.397   3.515   5.606
  197    HE3  LYS  23          1HE       LYS  23   4.106   2.148   6.461
  198    HZ1  LYS  23          1HZ       LYS  23   5.696   3.901   6.148
  199    HZ2  LYS  23          2HZ       LYS  23   5.529   3.857   4.474
  200    HZ3  LYS  23          3HZ       LYS  23   6.185   2.540   5.306
  201    H    ARG  24           H        ARG  24   5.524   1.782  -0.826
  202    HA   ARG  24           HA       ARG  24   7.156   3.919   0.077
  203    HB2  ARG  24          2HB       ARG  24   7.412   2.258  -2.440
  204    HB3  ARG  24          1HB       ARG  24   8.647   3.347  -1.833
  205    HG2  ARG  24          2HG       ARG  24   8.833   1.974   0.193
  206    HG3  ARG  24          1HG       ARG  24   7.618   0.873  -0.458
  207    HD2  ARG  24          2HD       ARG  24   9.824  -0.028  -0.841
  208    HD3  ARG  24          1HD       ARG  24   9.108   0.440  -2.384
  209    HE   ARG  24           HE       ARG  24  10.490   2.620  -1.651
  210   HH11  ARG  24          1HH1      ARG  24  11.458  -0.771  -2.034
  211   HH12  ARG  24          2HH1      ARG  24  13.084  -0.404  -2.360
  212   HH21  ARG  24          1HH2      ARG  24  12.664   3.114  -2.059
  213   HH22  ARG  24          2HH2      ARG  24  13.810   1.887  -2.379
  214    H    LYS  25           H        LYS  25   4.715   3.667  -2.286
  215    HA   LYS  25           HA       LYS  25   5.406   6.333  -3.287
  216    HB2  LYS  25          2HB       LYS  25   5.191   4.547  -5.004
  217    HB3  LYS  25          1HB       LYS  25   3.533   4.278  -4.486
  218    HG2  LYS  25          2HG       LYS  25   2.925   6.515  -5.183
  219    HG3  LYS  25          1HG       LYS  25   4.595   6.849  -5.641
  220    HD2  LYS  25          2HD       LYS  25   4.469   5.015  -7.287
  221    HD3  LYS  25          1HD       LYS  25   2.773   4.780  -6.860
  222    HE2  LYS  25          2HE       LYS  25   2.279   7.064  -7.547
  223    HE3  LYS  25          1HE       LYS  25   3.972   7.316  -7.971
  224    HZ1  LYS  25          1HZ       LYS  25   2.666   6.814  -9.917
  225    HZ2  LYS  25          2HZ       LYS  25   2.113   5.385  -9.241
  226    HZ3  LYS  25          3HZ       LYS  25   3.746   5.551  -9.633
  227    H    ALA  26           H        ALA  26   2.900   4.312  -1.908
  228    HA   ALA  26           HA       ALA  26   1.020   6.447  -1.746
  229    HB1  ALA  26          1HB       ALA  26  -0.429   4.860  -0.630
  230    HB2  ALA  26          2HB       ALA  26   0.904   3.719  -0.483
  231    HB3  ALA  26          3HB       ALA  26   0.277   4.139  -2.074
  Start of MODEL   12
    1    H    HIS   1           H        HIS   1   1.604   8.853  -2.324
    2    HA   HIS   1           HA       HIS   1   2.297   9.313   0.493
    3    HB2  HIS   1          2HB       HIS   1   2.366  11.254  -1.822
    4    HB3  HIS   1          1HB       HIS   1   2.474  11.746  -0.136
    5    HD1  HIS   1          1HD       HIS   1   4.550  10.750  -2.939
    6    HD2  HIS   1          2HD       HIS   1   4.757  10.582   1.191
    7    HE1  HIS   1          1HE       HIS   1   6.987  10.353  -2.382
    8    H    ASP   2           H        ASP   2  -0.123   8.496  -1.220
    9    HA   ASP   2           HA       ASP   2  -2.076  10.525  -0.733
   10    HB2  ASP   2          2HB       ASP   2  -2.527   7.572  -1.268
   11    HB3  ASP   2          1HB       ASP   2  -3.732   8.830  -1.352
   12    HA   PRO   3           HA       PRO   3  -2.912   9.251   3.504
   13    HB2  PRO   3          2HB       PRO   3  -5.664  10.183   3.236
   14    HB3  PRO   3          1HB       PRO   3  -4.366  10.875   4.205
   15    HG2  PRO   3          2HG       PRO   3  -5.387  12.095   1.988
   16    HG3  PRO   3          1HG       PRO   3  -3.725  12.325   2.551
   17    HD2  PRO   3          2HD       PRO   3  -4.739  10.625   0.295
   18    HD3  PRO   3          1HD       PRO   3  -3.249  11.588   0.435
   19    H    GLU   4           H        GLU   4  -4.505   8.260   0.766
   20    HA   GLU   4           HA       GLU   4  -6.303   6.293   1.930
   21    HB2  GLU   4          2HB       GLU   4  -5.597   6.887  -0.941
   22    HB3  GLU   4          1HB       GLU   4  -6.938   5.897  -0.385
   23    HG2  GLU   4          2HG       GLU   4  -8.026   7.797   0.570
   24    HG3  GLU   4          1HG       GLU   4  -6.629   8.821   0.247
   25    H    LYS   5           H        LYS   5  -3.011   6.420   1.190
   26    HA   LYS   5           HA       LYS   5  -2.545   4.196  -0.418
   27    HB2  LYS   5          2HB       LYS   5  -0.195   4.363   0.161
   28    HB3  LYS   5          1HB       LYS   5  -0.878   5.960  -0.025
   29    HG2  LYS   5          2HG       LYS   5  -0.981   6.231   2.395
   30    HG3  LYS   5          1HG       LYS   5  -0.324   4.607   2.613
   31    HD2  LYS   5          2HD       LYS   5   1.708   5.301   1.415
   32    HD3  LYS   5          1HD       LYS   5   1.040   6.922   1.246
   33    HE2  LYS   5          2HE       LYS   5   1.669   5.525   3.844
   34    HE3  LYS   5          1HE       LYS   5   2.639   6.788   3.092
   35    HZ1  LYS   5          1HZ       LYS   5   1.253   7.670   4.848
   36    HZ2  LYS   5          2HZ       LYS   5  -0.130   7.098   4.139
   37    HZ3  LYS   5          3HZ       LYS   5   0.768   8.318   3.375
   38    H    ARG   6           H        ARG   6  -2.584   4.306   3.131
   39    HA   ARG   6           HA       ARG   6  -1.653   1.675   3.434
   40    HB2  ARG   6          2HB       ARG   6  -1.506   3.303   5.265
   41    HB3  ARG   6          1HB       ARG   6  -3.258   3.370   5.366
   42    HG2  ARG   6          2HG       ARG   6  -3.340   1.073   6.118
   43    HG3  ARG   6          1HG       ARG   6  -1.597   0.923   5.899
   44    HD2  ARG   6          2HD       ARG   6  -1.197   2.544   7.651
   45    HD3  ARG   6          1HD       ARG   6  -2.931   2.831   7.824
   46    HE   ARG   6           HE       ARG   6  -3.004   0.359   8.386
   47   HH11  ARG   6          1HH1      ARG   6  -0.276   2.440   9.328
   48   HH12  ARG   6          2HH1      ARG   6   0.171   1.468  10.650
   49   HH21  ARG   6          1HH2      ARG   6  -2.386  -0.934  10.221
   50   HH22  ARG   6          2HH2      ARG   6  -1.046  -0.492  11.158
   51    H    LYS   7           H        LYS   7  -4.837   3.038   3.144
   52    HA   LYS   7           HA       LYS   7  -6.273   0.663   3.819
   53    HB2  LYS   7          2HB       LYS   7  -7.180   2.999   3.980
   54    HB3  LYS   7          1HB       LYS   7  -7.167   3.040   2.221
   55    HG2  LYS   7          2HG       LYS   7  -8.793   1.226   2.161
   56    HG3  LYS   7          1HG       LYS   7  -8.826   1.201   3.925
   57    HD2  LYS   7          2HD       LYS   7  -9.560   3.557   3.919
   58    HD3  LYS   7          1HD       LYS   7  -9.584   3.526   2.158
   59    HE2  LYS   7          2HE       LYS   7 -11.818   3.218   2.967
   60    HE3  LYS   7          1HE       LYS   7 -11.259   1.702   2.265
   61    HZ1  LYS   7          1HZ       LYS   7 -12.432   1.343   4.311
   62    HZ2  LYS   7          2HZ       LYS   7 -11.383   2.349   5.166
   63    HZ3  LYS   7          3HZ       LYS   7 -10.821   0.893   4.524
   64    H    GLU   8           H        GLU   8  -5.827   2.380   0.779
   65    HA   GLU   8           HA       GLU   8  -7.050   0.564  -0.875
   66    HB2  GLU   8          2HB       GLU   8  -6.475   2.837  -1.552
   67    HB3  GLU   8          1HB       GLU   8  -4.766   2.451  -1.471
   68    HG2  GLU   8          2HG       GLU   8  -5.407   2.454  -3.767
   69    HG3  GLU   8          1HG       GLU   8  -5.122   0.785  -3.288
   70    H    CYS   9           H        CYS   9  -3.674   0.866   0.102
   71    HA   CYS   9           HA       CYS   9  -3.071  -1.294  -1.642
   72    HB2  CYS   9          2HB       CYS   9  -1.248   0.485  -0.074
   73    HB3  CYS   9          1HB       CYS   9  -0.652  -0.943  -0.930
   74    H    GLU  10           H        GLU  10  -3.718  -1.081   1.745
   75    HA   GLU  10           HA       GLU  10  -2.505  -3.585   2.266
   76    HB2  GLU  10          2HB       GLU  10  -3.179  -2.026   4.077
   77    HB3  GLU  10          1HB       GLU  10  -4.859  -2.337   3.676
   78    HG2  GLU  10          2HG       GLU  10  -4.607  -4.669   4.253
   79    HG3  GLU  10          1HG       GLU  10  -2.900  -4.424   4.608
   80    H    LYS  11           H        LYS  11  -5.725  -2.552   1.246
   81    HA   LYS  11           HA       LYS  11  -6.465  -5.327   1.212
   82    HB2  LYS  11          2HB       LYS  11  -8.115  -2.889   0.558
   83    HB3  LYS  11          1HB       LYS  11  -8.728  -4.539   0.524
   84    HG2  LYS  11          2HG       LYS  11  -7.718  -3.017   2.934
   85    HG3  LYS  11          1HG       LYS  11  -9.371  -3.546   2.617
   86    HD2  LYS  11          2HD       LYS  11  -8.529  -5.914   2.661
   87    HD3  LYS  11          1HD       LYS  11  -6.969  -5.289   3.186
   88    HE2  LYS  11          2HE       LYS  11  -9.585  -5.002   4.650
   89    HE3  LYS  11          1HE       LYS  11  -8.298  -6.118   5.063
   90    HZ1  LYS  11          1HZ       LYS  11  -8.278  -4.202   6.464
   91    HZ2  LYS  11          2HZ       LYS  11  -8.126  -3.152   5.169
   92    HZ3  LYS  11          3HZ       LYS  11  -6.860  -4.189   5.577
   93    H    LYS  12           H        LYS  12  -5.045  -3.252  -0.970
   94    HA   LYS  12           HA       LYS  12  -5.935  -4.725  -3.305
   95    HB2  LYS  12          2HB       LYS  12  -5.299  -2.363  -3.567
   96    HB3  LYS  12          1HB       LYS  12  -3.681  -2.725  -2.987
   97    HG2  LYS  12          2HG       LYS  12  -3.370  -4.216  -4.965
   98    HG3  LYS  12          1HG       LYS  12  -4.924  -3.649  -5.574
   99    HD2  LYS  12          2HD       LYS  12  -2.591  -1.845  -4.928
  100    HD3  LYS  12          1HD       LYS  12  -2.922  -2.483  -6.532
  101    HE2  LYS  12          2HE       LYS  12  -4.837  -0.777  -4.939
  102    HE3  LYS  12          1HE       LYS  12  -3.729  -0.160  -6.157
  103    HZ1  LYS  12          1HZ       LYS  12  -4.847  -1.603  -7.795
  104    HZ2  LYS  12          2HZ       LYS  12  -5.874  -0.471  -7.104
  105    HZ3  LYS  12          3HZ       LYS  12  -5.969  -2.069  -6.609
  106    H    TYR  13           H        TYR  13  -3.133  -4.680  -1.122
  107    HA   TYR  13           HA       TYR  13  -2.073  -6.961  -2.625
  108    HB2  TYR  13          2HB       TYR  13  -0.544  -5.056  -0.861
  109    HB3  TYR  13          1HB       TYR  13   0.126  -6.368  -1.810
  110    HD1  TYR  13          1HD       TYR  13  -0.883  -2.942  -1.733
  111    HD2  TYR  13          2HD       TYR  13   0.169  -6.109  -4.337
  112    HE1  TYR  13          1HE       TYR  13  -0.404  -1.306  -3.507
  113    HE2  TYR  13          2HE       TYR  13   0.657  -4.494  -6.117
  114    HH   TYR  13           HH       TYR  13   0.065  -2.213  -6.735
  115    H    THR  14           H        THR  14  -2.754  -8.758  -1.459
  116    HA   THR  14           HA       THR  14  -2.633  -8.743   1.393
  117    HB   THR  14           HB       THR  14  -2.823 -11.323   0.968
  118    HG1  THR  14          1HG       THR  14  -2.532 -11.685  -1.099
  119   HG21  THR  14          1HG2      THR  14  -5.258 -11.114   0.627
  120   HG22  THR  14          2HG2      THR  14  -5.037  -9.417   0.188
  121   HG23  THR  14          3HG2      THR  14  -4.655  -9.968   1.820
  122    H    ASP  15           H        ASP  15  -0.525  -9.151  -1.168
  123    HA   ASP  15           HA       ASP  15   1.527 -10.703   0.033
  124    HB2  ASP  15          2HB       ASP  15   1.349 -10.376  -2.403
  125    HB3  ASP  15          1HB       ASP  15   1.664  -8.658  -2.195
  126    HA   PRO  16           HA       PRO  16   2.691  -7.450   2.886
  127    HB2  PRO  16          2HB       PRO  16   5.155  -8.970   3.344
  128    HB3  PRO  16          1HB       PRO  16   3.848  -8.580   4.467
  129    HG2  PRO  16          2HG       PRO  16   4.240 -11.072   3.542
  130    HG3  PRO  16          1HG       PRO  16   2.625 -10.436   3.896
  131    HD2  PRO  16          2HD       PRO  16   3.992 -10.763   1.258
  132    HD3  PRO  16          1HD       PRO  16   2.305 -11.068   1.729
  133    H    LYS  17           H        LYS  17   4.912  -8.588   0.381
  134    HA   LYS  17           HA       LYS  17   6.806  -6.498   0.915
  135    HB2  LYS  17          2HB       LYS  17   6.594  -8.379  -1.436
  136    HB3  LYS  17          1HB       LYS  17   7.886  -7.215  -1.206
  137    HG2  LYS  17          2HG       LYS  17   8.490  -8.370   0.899
  138    HG3  LYS  17          1HG       LYS  17   7.263  -9.588   0.532
  139    HD2  LYS  17          2HD       LYS  17   8.405 -10.115  -1.567
  140    HD3  LYS  17          1HD       LYS  17   9.615  -8.883  -1.222
  141    HE2  LYS  17          2HE       LYS  17  10.482 -11.070  -0.683
  142    HE3  LYS  17          1HE       LYS  17  10.279 -10.128   0.793
  143    HZ1  LYS  17          1HZ       LYS  17   8.219 -11.342   1.215
  144    HZ2  LYS  17          2HZ       LYS  17   9.497 -12.417   1.061
  145    HZ3  LYS  17          3HZ       LYS  17   8.411 -12.223  -0.192
  146    H    LYS  18           H        LYS  18   4.465  -7.186  -1.579
  147    HA   LYS  18           HA       LYS  18   4.855  -4.810  -3.058
  148    HB2  LYS  18          2HB       LYS  18   2.377  -6.509  -2.812
  149    HB3  LYS  18          1HB       LYS  18   2.655  -5.292  -4.047
  150    HG2  LYS  18          2HG       LYS  18   4.539  -6.575  -4.895
  151    HG3  LYS  18          1HG       LYS  18   4.273  -7.791  -3.643
  152    HD2  LYS  18          2HD       LYS  18   2.037  -8.221  -4.547
  153    HD3  LYS  18          1HD       LYS  18   2.318  -7.020  -5.808
  154    HE2  LYS  18          2HE       LYS  18   2.695  -9.250  -6.676
  155    HE3  LYS  18          1HE       LYS  18   4.210  -8.359  -6.638
  156    HZ1  LYS  18          1HZ       LYS  18   3.323 -10.443  -4.716
  157    HZ2  LYS  18          2HZ       LYS  18   4.713  -9.509  -4.523
  158    HZ3  LYS  18          3HZ       LYS  18   4.595 -10.554  -5.825
  159    H    ARG  19           H        ARG  19   2.769  -5.596  -0.360
  160    HA   ARG  19           HA       ARG  19   1.308  -3.189  -0.307
  161    HB2  ARG  19          2HB       ARG  19   0.618  -5.245   0.868
  162    HB3  ARG  19          1HB       ARG  19   1.988  -5.078   1.944
  163    HG2  ARG  19          2HG       ARG  19   1.077  -3.142   2.950
  164    HG3  ARG  19          1HG       ARG  19  -0.186  -3.027   1.720
  165    HD2  ARG  19          2HD       ARG  19  -1.050  -3.964   3.792
  166    HD3  ARG  19          1HD       ARG  19  -1.137  -5.132   2.473
  167    HE   ARG  19           HE       ARG  19   0.922  -5.132   4.558
  168   HH11  ARG  19          1HH1      ARG  19  -1.258  -6.914   2.373
  169   HH12  ARG  19          2HH1      ARG  19  -0.964  -8.428   3.109
  170   HH21  ARG  19          1HH2      ARG  19   1.331  -7.245   5.500
  171   HH22  ARG  19          2HH2      ARG  19   0.542  -8.635   4.928
  172    H    GLU  20           H        GLU  20   4.233  -4.228   1.429
  173    HA   GLU  20           HA       GLU  20   4.748  -1.857   2.802
  174    HB2  GLU  20          2HB       GLU  20   5.884  -3.866   3.425
  175    HB3  GLU  20          1HB       GLU  20   6.522  -4.089   1.815
  176    HG2  GLU  20          2HG       GLU  20   8.227  -3.429   3.456
  177    HG3  GLU  20          1HG       GLU  20   8.080  -2.282   2.134
  178    H    GLU  21           H        GLU  21   5.591  -2.855  -0.474
  179    HA   GLU  21           HA       GLU  21   7.212  -0.648  -1.089
  180    HB2  GLU  21          2HB       GLU  21   5.557  -2.366  -2.915
  181    HB3  GLU  21          1HB       GLU  21   6.660  -1.124  -3.479
  182    HG2  GLU  21          2HG       GLU  21   8.484  -2.374  -2.262
  183    HG3  GLU  21          1HG       GLU  21   7.306  -3.659  -1.999
  184    H    CYS  22           H        CYS  22   3.736  -1.144  -1.680
  185    HA   CYS  22           HA       CYS  22   3.418   1.351  -2.898
  186    HB2  CYS  22          2HB       CYS  22   1.660  -0.328  -3.119
  187    HB3  CYS  22          1HB       CYS  22   1.340  -0.248  -1.387
  188    H    LYS  23           H        LYS  23   3.142   0.350   0.447
  189    HA   LYS  23           HA       LYS  23   2.119   2.691   1.553
  190    HB2  LYS  23          2HB       LYS  23   2.125   0.551   2.705
  191    HB3  LYS  23          1HB       LYS  23   3.878   0.558   2.743
  192    HG2  LYS  23          2HG       LYS  23   3.914   2.320   4.346
  193    HG3  LYS  23          1HG       LYS  23   2.181   2.603   4.160
  194    HD2  LYS  23          2HD       LYS  23   2.659   1.348   6.214
  195    HD3  LYS  23          1HD       LYS  23   1.705   0.393   5.086
  196    HE2  LYS  23          2HE       LYS  23   3.381  -1.014   6.040
  197    HE3  LYS  23          1HE       LYS  23   3.800  -0.743   4.357
  198    HZ1  LYS  23          1HZ       LYS  23   5.753  -0.576   5.646
  199    HZ2  LYS  23          2HZ       LYS  23   5.031   0.450   6.764
  200    HZ3  LYS  23          3HZ       LYS  23   5.392   1.029   5.219
  201    H    ARG  24           H        ARG  24   5.420   1.828   0.745
  202    HA   ARG  24           HA       ARG  24   6.436   4.272   1.965
  203    HB2  ARG  24          2HB       ARG  24   8.662   3.481   1.322
  204    HB3  ARG  24          1HB       ARG  24   7.774   2.223   2.168
  205    HG2  ARG  24          2HG       ARG  24   7.304   1.100   0.106
  206    HG3  ARG  24          1HG       ARG  24   8.101   2.383  -0.805
  207    HD2  ARG  24          2HD       ARG  24   9.544   0.429  -0.515
  208    HD3  ARG  24          1HD       ARG  24  10.206   1.865   0.267
  209    HE   ARG  24           HE       ARG  24   8.660   0.237   2.046
  210   HH11  ARG  24          1HH1      ARG  24  11.869   0.487   0.547
  211   HH12  ARG  24          2HH1      ARG  24  12.673  -0.260   1.840
  212   HH21  ARG  24          1HH2      ARG  24   9.707  -0.731   3.740
  213   HH22  ARG  24          2HH2      ARG  24  11.398  -1.010   3.773
  214    H    LYS  25           H        LYS  25   5.048   3.465  -0.938
  215    HA   LYS  25           HA       LYS  25   6.802   5.150  -2.567
  216    HB2  LYS  25          2HB       LYS  25   6.269   2.858  -3.297
  217    HB3  LYS  25          1HB       LYS  25   4.575   3.286  -3.348
  218    HG2  LYS  25          2HG       LYS  25   4.992   4.833  -5.156
  219    HG3  LYS  25          1HG       LYS  25   6.726   4.487  -5.079
  220    HD2  LYS  25          2HD       LYS  25   6.222   2.113  -5.521
  221    HD3  LYS  25          1HD       LYS  25   4.521   2.532  -5.704
  222    HE2  LYS  25          2HE       LYS  25   5.087   3.974  -7.594
  223    HE3  LYS  25          1HE       LYS  25   6.790   3.571  -7.386
  224    HZ1  LYS  25          1HZ       LYS  25   4.623   1.672  -8.078
  225    HZ2  LYS  25          2HZ       LYS  25   6.213   1.230  -7.784
  226    HZ3  LYS  25          3HZ       LYS  25   5.852   2.187  -9.110
  227    H    ALA  26           H        ALA  26   3.362   4.672  -1.851
  228    HA   ALA  26           HA       ALA  26   2.644   7.057  -3.277
  229    HB1  ALA  26          1HB       ALA  26   0.366   6.540  -2.562
  230    HB2  ALA  26          2HB       ALA  26   0.982   5.277  -1.495
  231    HB3  ALA  26          3HB       ALA  26   1.151   5.114  -3.243
  Start of MODEL   13
    1    H    HIS   1           H        HIS   1   1.609   8.774  -1.605
    2    HA   HIS   1           HA       HIS   1   2.678   8.993   1.139
    3    HB2  HIS   1          2HB       HIS   1   2.586  11.217  -0.924
    4    HB3  HIS   1          1HB       HIS   1   3.038  11.427   0.762
    5    HD1  HIS   1          1HD       HIS   1   4.415  10.587  -2.521
    6    HD2  HIS   1          2HD       HIS   1   5.503  10.102   1.451
    7    HE1  HIS   1          1HE       HIS   1   6.862   9.955  -2.547
    8    H    ASP   2           H        ASP   2   0.004   9.015  -0.841
    9    HA   ASP   2           HA       ASP   2  -1.525  10.871   0.775
   10    HB2  ASP   2          2HB       ASP   2  -2.265   9.233  -1.657
   11    HB3  ASP   2          1HB       ASP   2  -3.428  10.203  -0.767
   12    HA   PRO   3           HA       PRO   3  -3.017   8.028   3.720
   13    HB2  PRO   3          2HB       PRO   3  -5.690   8.820   3.844
   14    HB3  PRO   3          1HB       PRO   3  -4.360   9.535   4.754
   15    HG2  PRO   3          2HG       PRO   3  -5.639  10.471   2.228
   16    HG3  PRO   3          1HG       PRO   3  -5.006  11.407   3.591
   17    HD2  PRO   3          2HD       PRO   3  -3.664  11.200   1.285
   18    HD3  PRO   3          1HD       PRO   3  -2.822  11.251   2.846
   19    H    GLU   4           H        GLU   4  -4.628   8.209   0.659
   20    HA   GLU   4           HA       GLU   4  -6.395   6.059   0.804
   21    HB2  GLU   4          2HB       GLU   4  -6.348   7.638  -1.062
   22    HB3  GLU   4          1HB       GLU   4  -4.778   7.033  -1.564
   23    HG2  GLU   4          2HG       GLU   4  -5.802   4.867  -2.082
   24    HG3  GLU   4          1HG       GLU   4  -7.371   5.489  -1.571
   25    H    LYS   5           H        LYS   5  -2.912   6.113   0.533
   26    HA   LYS   5           HA       LYS   5  -2.473   3.658  -0.710
   27    HB2  LYS   5          2HB       LYS   5  -0.160   3.835  -0.044
   28    HB3  LYS   5          1HB       LYS   5  -0.779   5.428  -0.357
   29    HG2  LYS   5          2HG       LYS   5  -0.917   5.956   1.955
   30    HG3  LYS   5          1HG       LYS   5  -0.527   4.295   2.409
   31    HD2  LYS   5          2HD       LYS   5   1.669   4.520   1.379
   32    HD3  LYS   5          1HD       LYS   5   1.274   6.163   0.881
   33    HE2  LYS   5          2HE       LYS   5   1.019   6.796   3.226
   34    HE3  LYS   5          1HE       LYS   5   1.450   5.156   3.704
   35    HZ1  LYS   5          1HZ       LYS   5   3.646   5.452   2.783
   36    HZ2  LYS   5          2HZ       LYS   5   3.350   6.797   3.767
   37    HZ3  LYS   5          3HZ       LYS   5   3.224   6.922   2.114
   38    H    ARG   6           H        ARG   6  -2.987   4.353   2.717
   39    HA   ARG   6           HA       ARG   6  -2.209   1.794   3.640
   40    HB2  ARG   6          2HB       ARG   6  -4.078   3.826   4.848
   41    HB3  ARG   6          1HB       ARG   6  -3.710   2.300   5.622
   42    HG2  ARG   6          2HG       ARG   6  -1.302   2.985   5.635
   43    HG3  ARG   6          1HG       ARG   6  -1.821   4.573   5.052
   44    HD2  ARG   6          2HD       ARG   6  -3.208   4.901   6.983
   45    HD3  ARG   6          1HD       ARG   6  -2.903   3.257   7.534
   46    HE   ARG   6           HE       ARG   6  -0.603   4.979   7.276
   47   HH11  ARG   6          1HH1      ARG   6  -3.078   3.599   9.422
   48   HH12  ARG   6          2HH1      ARG   6  -2.256   3.954  10.858
   49   HH21  ARG   6          1HH2      ARG   6   0.557   5.438   9.302
   50   HH22  ARG   6          2HH2      ARG   6  -0.133   4.986  10.784
   51    H    LYS   7           H        LYS   7  -5.323   3.174   2.867
   52    HA   LYS   7           HA       LYS   7  -6.797   0.856   3.516
   53    HB2  LYS   7          2HB       LYS   7  -7.693   3.210   3.428
   54    HB3  LYS   7          1HB       LYS   7  -7.591   3.092   1.675
   55    HG2  LYS   7          2HG       LYS   7  -9.182   1.263   1.677
   56    HG3  LYS   7          1HG       LYS   7  -9.282   1.341   3.436
   57    HD2  LYS   7          2HD       LYS   7 -10.069   3.683   3.237
   58    HD3  LYS   7          1HD       LYS   7 -10.079   3.494   1.485
   59    HE2  LYS   7          2HE       LYS   7 -12.311   3.163   2.327
   60    HE3  LYS   7          1HE       LYS   7 -11.680   1.629   1.735
   61    HZ1  LYS   7          1HZ       LYS   7 -11.791   2.465   4.581
   62    HZ2  LYS   7          2HZ       LYS   7 -11.200   0.986   4.014
   63    HZ3  LYS   7          3HZ       LYS   7 -12.827   1.372   3.826
   64    H    GLU   8           H        GLU   8  -5.897   2.313   0.416
   65    HA   GLU   8           HA       GLU   8  -7.140   0.386  -1.172
   66    HB2  GLU   8          2HB       GLU   8  -6.362   2.737  -1.771
   67    HB3  GLU   8          1HB       GLU   8  -4.763   2.043  -1.976
   68    HG2  GLU   8          2HG       GLU   8  -5.767   2.202  -4.123
   69    HG3  GLU   8          1HG       GLU   8  -5.751   0.496  -3.677
   70    H    CYS   9           H        CYS   9  -3.840   0.618   0.152
   71    HA   CYS   9           HA       CYS   9  -3.139  -1.643  -1.458
   72    HB2  CYS   9          2HB       CYS   9  -1.404   0.046   0.320
   73    HB3  CYS   9          1HB       CYS   9  -0.820  -1.422  -0.467
   74    H    GLU  10           H        GLU  10  -4.090  -1.201   1.865
   75    HA   GLU  10           HA       GLU  10  -3.163  -3.840   2.524
   76    HB2  GLU  10          2HB       GLU  10  -3.585  -2.042   4.239
   77    HB3  GLU  10          1HB       GLU  10  -5.303  -2.202   3.908
   78    HG2  GLU  10          2HG       GLU  10  -5.254  -4.503   4.675
   79    HG3  GLU  10          1HG       GLU  10  -3.520  -4.381   4.956
   80    H    LYS  11           H        LYS  11  -5.956  -2.373   1.222
   81    HA   LYS  11           HA       LYS  11  -7.811  -4.488   1.227
   82    HB2  LYS  11          2HB       LYS  11  -8.509  -2.266   0.886
   83    HB3  LYS  11          1HB       LYS  11  -7.346  -2.020  -0.391
   84    HG2  LYS  11          2HG       LYS  11  -8.709  -3.634  -1.767
   85    HG3  LYS  11          1HG       LYS  11  -9.942  -3.518  -0.496
   86    HD2  LYS  11          2HD       LYS  11 -10.083  -1.146  -0.752
   87    HD3  LYS  11          1HD       LYS  11  -8.712  -1.132  -1.851
   88    HE2  LYS  11          2HE       LYS  11 -10.066  -2.485  -3.434
   89    HE3  LYS  11          1HE       LYS  11 -11.452  -2.260  -2.358
   90    HZ1  LYS  11          1HZ       LYS  11  -9.854  -0.095  -3.558
   91    HZ2  LYS  11          2HZ       LYS  11 -11.284   0.120  -2.668
   92    HZ3  LYS  11          3HZ       LYS  11 -11.321  -0.617  -4.183
   93    H    LYS  12           H        LYS  12  -5.711  -3.242  -1.369
   94    HA   LYS  12           HA       LYS  12  -6.392  -5.435  -3.079
   95    HB2  LYS  12          2HB       LYS  12  -6.121  -3.160  -3.926
   96    HB3  LYS  12          1HB       LYS  12  -4.432  -3.187  -3.462
   97    HG2  LYS  12          2HG       LYS  12  -3.988  -4.953  -5.078
   98    HG3  LYS  12          1HG       LYS  12  -5.697  -4.994  -5.521
   99    HD2  LYS  12          2HD       LYS  12  -5.541  -2.645  -6.241
  100    HD3  LYS  12          1HD       LYS  12  -3.825  -2.650  -5.843
  101    HE2  LYS  12          2HE       LYS  12  -5.145  -4.443  -7.879
  102    HE3  LYS  12          1HE       LYS  12  -4.254  -2.972  -8.255
  103    HZ1  LYS  12          1HZ       LYS  12  -2.268  -3.991  -7.300
  104    HZ2  LYS  12          2HZ       LYS  12  -2.894  -4.918  -8.560
  105    HZ3  LYS  12          3HZ       LYS  12  -3.133  -5.417  -6.981
  106    H    TYR  13           H        TYR  13  -3.524  -4.522  -1.187
  107    HA   TYR  13           HA       TYR  13  -2.211  -6.825  -2.364
  108    HB2  TYR  13          2HB       TYR  13  -0.971  -4.423  -1.023
  109    HB3  TYR  13          1HB       TYR  13  -0.071  -5.818  -1.615
  110    HD1  TYR  13          1HD       TYR  13  -1.708  -2.718  -2.495
  111    HD2  TYR  13          2HD       TYR  13  -0.031  -6.293  -4.062
  112    HE1  TYR  13          1HE       TYR  13  -1.657  -1.707  -4.719
  113    HE2  TYR  13          2HE       TYR  13   0.034  -5.291  -6.284
  114    HH   TYR  13           HH       TYR  13  -0.382  -2.044  -6.881
  115    H    THR  14           H        THR  14  -2.726  -8.508  -1.167
  116    HA   THR  14           HA       THR  14  -2.606  -8.485   1.672
  117    HB   THR  14           HB       THR  14  -2.533 -11.080   1.058
  118    HG1  THR  14          1HG       THR  14  -2.513 -11.306  -1.052
  119   HG21  THR  14          1HG2      THR  14  -4.421  -9.942   2.140
  120   HG22  THR  14          2HG2      THR  14  -4.992 -11.048   0.887
  121   HG23  THR  14          3HG2      THR  14  -4.930  -9.315   0.574
  122    H    ASP  15           H        ASP  15  -0.569  -9.025  -1.011
  123    HA   ASP  15           HA       ASP  15   1.588 -10.432   0.079
  124    HB2  ASP  15          2HB       ASP  15   1.208 -10.067  -2.326
  125    HB3  ASP  15          1HB       ASP  15   1.585  -8.363  -2.111
  126    HA   PRO  16           HA       PRO  16   2.941  -7.289   2.991
  127    HB2  PRO  16          2HB       PRO  16   5.369  -9.005   2.960
  128    HB3  PRO  16          1HB       PRO  16   4.429  -8.412   4.335
  129    HG2  PRO  16          2HG       PRO  16   4.200 -10.934   3.582
  130    HG3  PRO  16          1HG       PRO  16   2.761 -10.009   4.050
  131    HD2  PRO  16          2HD       PRO  16   3.748 -10.727   1.322
  132    HD3  PRO  16          1HD       PRO  16   2.090 -10.732   1.974
  133    H    LYS  17           H        LYS  17   5.039  -8.439   0.354
  134    HA   LYS  17           HA       LYS  17   6.754  -6.184   0.696
  135    HB2  LYS  17          2HB       LYS  17   6.779  -8.432  -1.273
  136    HB3  LYS  17          1HB       LYS  17   7.808  -7.024  -1.516
  137    HG2  LYS  17          2HG       LYS  17   7.799  -8.714   0.974
  138    HG3  LYS  17          1HG       LYS  17   8.933  -8.911  -0.367
  139    HD2  LYS  17          2HD       LYS  17   9.801  -6.696  -0.028
  140    HD3  LYS  17          1HD       LYS  17   8.594  -6.339   1.200
  141    HE2  LYS  17          2HE       LYS  17   9.534  -8.074   2.619
  142    HE3  LYS  17          1HE       LYS  17  10.735  -8.437   1.385
  143    HZ1  LYS  17          1HZ       LYS  17  11.701  -6.303   1.648
  144    HZ2  LYS  17          2HZ       LYS  17  11.521  -6.919   3.211
  145    HZ3  LYS  17          3HZ       LYS  17  10.450  -5.754   2.624
  146    H    LYS  18           H        LYS  18   4.360  -7.012  -1.740
  147    HA   LYS  18           HA       LYS  18   4.784  -4.594  -3.170
  148    HB2  LYS  18          2HB       LYS  18   2.491  -6.527  -3.122
  149    HB3  LYS  18          1HB       LYS  18   2.343  -5.007  -3.993
  150    HG2  LYS  18          2HG       LYS  18   4.301  -5.576  -5.328
  151    HG3  LYS  18          1HG       LYS  18   4.443  -7.107  -4.460
  152    HD2  LYS  18          2HD       LYS  18   1.959  -6.340  -5.971
  153    HD3  LYS  18          1HD       LYS  18   3.316  -7.145  -6.755
  154    HE2  LYS  18          2HE       LYS  18   1.860  -8.221  -4.342
  155    HE3  LYS  18          1HE       LYS  18   1.513  -8.672  -6.010
  156    HZ1  LYS  18          1HZ       LYS  18   3.748  -9.513  -6.233
  157    HZ2  LYS  18          2HZ       LYS  18   3.013 -10.284  -4.952
  158    HZ3  LYS  18          3HZ       LYS  18   4.145  -9.073  -4.670
  159    H    ARG  19           H        ARG  19   2.846  -5.360  -0.440
  160    HA   ARG  19           HA       ARG  19   1.504  -2.855  -0.353
  161    HB2  ARG  19          2HB       ARG  19   0.457  -4.744   0.640
  162    HB3  ARG  19          1HB       ARG  19   1.870  -5.102   1.603
  163    HG2  ARG  19          2HG       ARG  19   1.446  -3.277   3.041
  164    HG3  ARG  19          1HG       ARG  19   0.190  -2.648   1.971
  165    HD2  ARG  19          2HD       ARG  19  -0.600  -3.958   4.015
  166    HD3  ARG  19          1HD       ARG  19  -1.268  -4.403   2.448
  167    HE   ARG  19           HE       ARG  19   0.355  -6.236   2.421
  168   HH11  ARG  19          1HH1      ARG  19  -0.500  -4.885   5.581
  169   HH12  ARG  19          2HH1      ARG  19  -0.372  -6.373   6.404
  170   HH21  ARG  19          1HH2      ARG  19   0.452  -8.315   3.569
  171   HH22  ARG  19          2HH2      ARG  19   0.175  -8.352   5.239
  172    H    GLU  20           H        GLU  20   4.398  -4.185   1.213
  173    HA   GLU  20           HA       GLU  20   5.083  -2.016   2.842
  174    HB2  GLU  20          2HB       GLU  20   6.111  -4.260   2.959
  175    HB3  GLU  20          1HB       GLU  20   6.859  -3.992   1.399
  176    HG2  GLU  20          2HG       GLU  20   8.193  -2.190   2.349
  177    HG3  GLU  20          1HG       GLU  20   7.434  -2.460   3.919
  178    H    GLU  21           H        GLU  21   5.921  -2.797  -0.501
  179    HA   GLU  21           HA       GLU  21   7.441  -0.480  -0.924
  180    HB2  GLU  21          2HB       GLU  21   6.109  -2.380  -2.782
  181    HB3  GLU  21          1HB       GLU  21   6.933  -0.934  -3.360
  182    HG2  GLU  21          2HG       GLU  21   8.121  -3.203  -1.749
  183    HG3  GLU  21          1HG       GLU  21   8.442  -2.848  -3.448
  184    H    CYS  22           H        CYS  22   4.024  -1.167  -1.375
  185    HA   CYS  22           HA       CYS  22   3.422   1.196  -2.635
  186    HB2  CYS  22          2HB       CYS  22   1.697  -0.484  -2.474
  187    HB3  CYS  22          1HB       CYS  22   1.726  -0.422  -0.714
  188    H    LYS  23           H        LYS  23   3.712   0.435   0.782
  189    HA   LYS  23           HA       LYS  23   2.928   2.804   1.997
  190    HB2  LYS  23          2HB       LYS  23   3.406   0.674   3.134
  191    HB3  LYS  23          1HB       LYS  23   5.112   0.871   2.795
  192    HG2  LYS  23          2HG       LYS  23   5.058   2.952   4.194
  193    HG3  LYS  23          1HG       LYS  23   3.404   2.523   4.635
  194    HD2  LYS  23          2HD       LYS  23   5.809   0.746   5.081
  195    HD3  LYS  23          1HD       LYS  23   5.097   1.786   6.311
  196    HE2  LYS  23          2HE       LYS  23   3.604  -0.414   4.881
  197    HE3  LYS  23          1HE       LYS  23   4.416  -0.623   6.423
  198    HZ1  LYS  23          1HZ       LYS  23   2.975   1.061   7.379
  199    HZ2  LYS  23          2HZ       LYS  23   2.081  -0.196   6.724
  200    HZ3  LYS  23          3HZ       LYS  23   2.170   1.268   5.902
  201    H    ARG  24           H        ARG  24   5.936   1.938   0.427
  202    HA   ARG  24           HA       ARG  24   7.309   4.398   1.178
  203    HB2  ARG  24          2HB       ARG  24   8.167   2.035  -0.473
  204    HB3  ARG  24          1HB       ARG  24   9.188   3.408  -0.076
  205    HG2  ARG  24          2HG       ARG  24   9.094   2.869   2.255
  206    HG3  ARG  24          1HG       ARG  24   7.924   1.585   1.945
  207    HD2  ARG  24          2HD       ARG  24   9.562   0.379   0.632
  208    HD3  ARG  24          1HD       ARG  24  10.731   1.679   0.862
  209    HE   ARG  24           HE       ARG  24  10.418   1.161   3.307
  210   HH11  ARG  24          1HH1      ARG  24  10.218  -1.332   0.762
  211   HH12  ARG  24          2HH1      ARG  24  10.695  -2.578   1.817
  212   HH21  ARG  24          1HH2      ARG  24  11.151  -0.581   4.682
  213   HH22  ARG  24          2HH2      ARG  24  11.313  -2.154   4.046
  214    H    LYS  25           H        LYS  25   5.282   3.381  -1.314
  215    HA   LYS  25           HA       LYS  25   6.593   5.011  -3.354
  216    HB2  LYS  25          2HB       LYS  25   5.886   2.770  -4.003
  217    HB3  LYS  25          1HB       LYS  25   4.246   3.112  -3.492
  218    HG2  LYS  25          2HG       LYS  25   4.448   3.140  -5.919
  219    HG3  LYS  25          1HG       LYS  25   4.006   4.731  -5.304
  220    HD2  LYS  25          2HD       LYS  25   6.277   5.512  -5.576
  221    HD3  LYS  25          1HD       LYS  25   6.815   3.899  -6.044
  222    HE2  LYS  25          2HE       LYS  25   6.533   5.374  -7.989
  223    HE3  LYS  25          1HE       LYS  25   5.442   3.996  -8.048
  224    HZ1  LYS  25          1HZ       LYS  25   4.667   6.728  -7.144
  225    HZ2  LYS  25          2HZ       LYS  25   3.631   5.408  -7.351
  226    HZ3  LYS  25          3HZ       LYS  25   4.394   6.098  -8.671
  227    H    ALA  26           H        ALA  26   3.522   4.730  -1.665
  228    HA   ALA  26           HA       ALA  26   2.657   7.207  -2.916
  229    HB1  ALA  26          1HB       ALA  26   1.147   5.202  -1.266
  230    HB2  ALA  26          2HB       ALA  26   1.124   5.331  -3.025
  231    HB3  ALA  26          3HB       ALA  26   0.442   6.622  -2.033
  Start of MODEL   14
    1    H    HIS   1           H        HIS   1   1.656   9.015  -1.570
    2    HA   HIS   1           HA       HIS   1   2.639   9.417   1.156
    3    HB2  HIS   1          2HB       HIS   1   1.796  11.441  -0.946
    4    HB3  HIS   1          1HB       HIS   1   2.388  11.836   0.651
    5    HD1  HIS   1          1HD       HIS   1   4.851  12.333   0.755
    6    HD2  HIS   1          2HD       HIS   1   3.832   9.982  -2.516
    7    HE1  HIS   1          1HE       HIS   1   6.936  12.138  -0.642
    8    H    ASP   2           H        ASP   2  -0.135   8.520  -0.146
    9    HA   ASP   2           HA       ASP   2  -1.775  10.072   1.734
   10    HB2  ASP   2          2HB       ASP   2  -2.696   8.494  -0.670
   11    HB3  ASP   2          1HB       ASP   2  -3.747   9.309   0.455
   12    HA   PRO   3           HA       PRO   3  -2.173   6.182   3.907
   13    HB2  PRO   3          2HB       PRO   3  -4.247   6.981   5.531
   14    HB3  PRO   3          1HB       PRO   3  -2.551   7.337   5.868
   15    HG2  PRO   3          2HG       PRO   3  -4.655   9.073   4.689
   16    HG3  PRO   3          1HG       PRO   3  -3.342   9.501   5.793
   17    HD2  PRO   3          2HD       PRO   3  -3.291  10.004   3.096
   18    HD3  PRO   3          1HD       PRO   3  -1.823   9.742   4.073
   19    H    GLU   4           H        GLU   4  -4.643   8.000   2.373
   20    HA   GLU   4           HA       GLU   4  -6.697   6.112   2.138
   21    HB2  GLU   4          2HB       GLU   4  -7.105   8.437   1.698
   22    HB3  GLU   4          1HB       GLU   4  -5.827   8.511   0.513
   23    HG2  GLU   4          2HG       GLU   4  -8.273   6.855   0.025
   24    HG3  GLU   4          1HG       GLU   4  -8.295   8.595  -0.232
   25    H    LYS   5           H        LYS   5  -4.019   6.925  -0.055
   26    HA   LYS   5           HA       LYS   5  -4.499   4.834  -1.886
   27    HB2  LYS   5          2HB       LYS   5  -2.028   6.444  -1.301
   28    HB3  LYS   5          1HB       LYS   5  -2.085   5.236  -2.574
   29    HG2  LYS   5          2HG       LYS   5  -3.901   6.503  -3.648
   30    HG3  LYS   5          1HG       LYS   5  -3.772   7.729  -2.387
   31    HD2  LYS   5          2HD       LYS   5  -1.483   8.191  -3.051
   32    HD3  LYS   5          1HD       LYS   5  -1.550   6.903  -4.253
   33    HE2  LYS   5          2HE       LYS   5  -1.862   9.092  -5.295
   34    HE3  LYS   5          1HE       LYS   5  -3.305   8.101  -5.448
   35    HZ1  LYS   5          1HZ       LYS   5  -4.356   9.342  -3.710
   36    HZ2  LYS   5          2HZ       LYS   5  -3.737  10.432  -4.828
   37    HZ3  LYS   5          3HZ       LYS   5  -2.921  10.174  -3.368
   38    H    ARG   6           H        ARG   6  -2.401   5.115   0.924
   39    HA   ARG   6           HA       ARG   6  -1.164   2.635   0.869
   40    HB2  ARG   6          2HB       ARG   6  -0.539   4.222   2.576
   41    HB3  ARG   6          1HB       ARG   6  -2.176   4.213   3.234
   42    HG2  ARG   6          2HG       ARG   6  -1.843   1.749   3.678
   43    HG3  ARG   6          1HG       ARG   6  -0.138   2.018   3.332
   44    HD2  ARG   6          2HD       ARG   6   0.104   3.446   5.184
   45    HD3  ARG   6          1HD       ARG   6  -1.648   3.596   5.389
   46    HE   ARG   6           HE       ARG   6  -0.657   0.922   5.548
   47   HH11  ARG   6          1HH1      ARG   6  -1.173   3.840   7.491
   48   HH12  ARG   6          2HH1      ARG   6  -1.574   2.991   8.907
   49   HH21  ARG   6          1HH2      ARG   6  -1.281  -0.237   7.447
   50   HH22  ARG   6          2HH2      ARG   6  -1.637   0.624   8.894
   51    H    LYS   7           H        LYS   7  -4.298   3.524   2.302
   52    HA   LYS   7           HA       LYS   7  -5.039   1.058   3.317
   53    HB2  LYS   7          2HB       LYS   7  -6.256   3.227   3.732
   54    HB3  LYS   7          1HB       LYS   7  -6.871   3.077   2.080
   55    HG2  LYS   7          2HG       LYS   7  -8.039   1.051   2.635
   56    HG3  LYS   7          1HG       LYS   7  -7.400   1.093   4.274
   57    HD2  LYS   7          2HD       LYS   7  -8.556   3.270   4.609
   58    HD3  LYS   7          1HD       LYS   7  -9.253   3.094   3.001
   59    HE2  LYS   7          2HE       LYS   7 -10.828   2.360   4.734
   60    HE3  LYS   7          1HE       LYS   7 -10.363   1.039   3.665
   61    HZ1  LYS   7          1HZ       LYS   7  -8.818   0.259   5.358
   62    HZ2  LYS   7          2HZ       LYS   7 -10.365   0.323   5.958
   63    HZ3  LYS   7          3HZ       LYS   7  -9.257   1.512   6.397
   64    H    GLU   8           H        GLU   8  -5.661   2.461   0.153
   65    HA   GLU   8           HA       GLU   8  -7.163   0.399  -0.857
   66    HB2  GLU   8          2HB       GLU   8  -6.865   2.506  -2.061
   67    HB3  GLU   8          1HB       GLU   8  -5.175   2.114  -2.353
   68    HG2  GLU   8          2HG       GLU   8  -5.961   0.091  -3.602
   69    HG3  GLU   8          1HG       GLU   8  -7.597   0.732  -3.468
   70    H    CYS   9           H        CYS   9  -3.657   0.898  -0.966
   71    HA   CYS   9           HA       CYS   9  -3.042  -1.460  -2.396
   72    HB2  CYS   9          2HB       CYS   9  -1.303   0.194  -0.570
   73    HB3  CYS   9          1HB       CYS   9  -0.716  -1.107  -1.596
   74    H    GLU  10           H        GLU  10  -3.276  -0.772   1.028
   75    HA   GLU  10           HA       GLU  10  -2.197  -3.259   1.857
   76    HB2  GLU  10          2HB       GLU  10  -2.171  -1.159   3.222
   77    HB3  GLU  10          1HB       GLU  10  -3.905  -1.317   3.434
   78    HG2  GLU  10          2HG       GLU  10  -3.584  -3.407   4.634
   79    HG3  GLU  10          1HG       GLU  10  -1.846  -3.301   4.376
   80    H    LYS  11           H        LYS  11  -5.360  -2.231   0.861
   81    HA   LYS  11           HA       LYS  11  -6.558  -4.649   1.932
   82    HB2  LYS  11          2HB       LYS  11  -7.820  -2.470   1.888
   83    HB3  LYS  11          1HB       LYS  11  -7.828  -2.570   0.137
   84    HG2  LYS  11          2HG       LYS  11  -9.956  -3.299   1.079
   85    HG3  LYS  11          1HG       LYS  11  -9.143  -4.631   0.250
   86    HD2  LYS  11          2HD       LYS  11  -8.371  -5.514   2.380
   87    HD3  LYS  11          1HD       LYS  11  -9.080  -4.144   3.234
   88    HE2  LYS  11          2HE       LYS  11 -10.486  -6.111   3.434
   89    HE3  LYS  11          1HE       LYS  11 -11.307  -4.866   2.499
   90    HZ1  LYS  11          1HZ       LYS  11 -11.552  -7.086   1.555
   91    HZ2  LYS  11          2HZ       LYS  11  -9.894  -7.200   1.308
   92    HZ3  LYS  11          3HZ       LYS  11 -10.799  -6.037   0.494
   93    H    LYS  12           H        LYS  12  -5.600  -3.302  -1.168
   94    HA   LYS  12           HA       LYS  12  -6.625  -5.410  -2.776
   95    HB2  LYS  12          2HB       LYS  12  -4.425  -3.423  -3.359
   96    HB3  LYS  12          1HB       LYS  12  -5.106  -4.532  -4.531
   97    HG2  LYS  12          2HG       LYS  12  -6.621  -2.358  -3.105
   98    HG3  LYS  12          1HG       LYS  12  -5.991  -2.259  -4.748
   99    HD2  LYS  12          2HD       LYS  12  -7.414  -4.148  -5.393
  100    HD3  LYS  12          1HD       LYS  12  -8.050  -4.224  -3.749
  101    HE2  LYS  12          2HE       LYS  12  -8.889  -1.939  -3.980
  102    HE3  LYS  12          1HE       LYS  12  -8.277  -1.880  -5.627
  103    HZ1  LYS  12          1HZ       LYS  12 -10.618  -2.396  -5.626
  104    HZ2  LYS  12          2HZ       LYS  12 -10.376  -3.688  -4.580
  105    HZ3  LYS  12          3HZ       LYS  12  -9.777  -3.765  -6.146
  106    H    TYR  13           H        TYR  13  -3.408  -4.763  -1.456
  107    HA   TYR  13           HA       TYR  13  -2.522  -7.345  -2.480
  108    HB2  TYR  13          2HB       TYR  13  -0.924  -5.073  -1.280
  109    HB3  TYR  13          1HB       TYR  13  -0.257  -6.559  -1.934
  110    HD1  TYR  13          1HD       TYR  13  -1.660  -3.300  -2.705
  111    HD2  TYR  13          2HD       TYR  13  -0.238  -6.933  -4.361
  112    HE1  TYR  13          1HE       TYR  13  -1.490  -2.219  -4.899
  113    HE2  TYR  13          2HE       TYR  13  -0.054  -5.883  -6.555
  114    HH   TYR  13           HH       TYR  13  -1.060  -3.955  -7.758
  115    H    THR  14           H        THR  14  -2.804  -8.962  -1.081
  116    HA   THR  14           HA       THR  14  -2.791  -8.414   1.725
  117    HB   THR  14           HB       THR  14  -3.157 -10.977   1.796
  118    HG1  THR  14          1HG       THR  14  -2.989 -11.900  -0.056
  119   HG21  THR  14          1HG2      THR  14  -5.159  -9.169   0.426
  120   HG22  THR  14          2HG2      THR  14  -4.942  -9.340   2.168
  121   HG23  THR  14          3HG2      THR  14  -5.537 -10.697   1.215
  122    H    ASP  15           H        ASP  15  -0.601  -9.242  -0.670
  123    HA   ASP  15           HA       ASP  15   1.330 -10.628   0.894
  124    HB2  ASP  15          2HB       ASP  15   1.431 -10.861  -1.492
  125    HB3  ASP  15          1HB       ASP  15   1.533  -9.117  -1.710
  126    HA   PRO  16           HA       PRO  16   2.632  -7.127   3.271
  127    HB2  PRO  16          2HB       PRO  16   5.003  -8.191   4.178
  128    HB3  PRO  16          1HB       PRO  16   3.423  -8.522   4.892
  129    HG2  PRO  16          2HG       PRO  16   5.014 -10.159   2.968
  130    HG3  PRO  16          1HG       PRO  16   4.048 -10.689   4.357
  131    HD2  PRO  16          2HD       PRO  16   3.166 -10.903   1.827
  132    HD3  PRO  16          1HD       PRO  16   2.064 -10.564   3.179
  133    H    LYS  17           H        LYS  17   4.805  -8.630   0.932
  134    HA   LYS  17           HA       LYS  17   6.761  -6.577   1.042
  135    HB2  LYS  17          2HB       LYS  17   6.217  -8.671  -1.045
  136    HB3  LYS  17          1HB       LYS  17   7.591  -7.574  -1.087
  137    HG2  LYS  17          2HG       LYS  17   8.422  -8.488   0.991
  138    HG3  LYS  17          1HG       LYS  17   7.007  -9.531   1.124
  139    HD2  LYS  17          2HD       LYS  17   8.926 -10.776   0.291
  140    HD3  LYS  17          1HD       LYS  17   7.660 -10.679  -0.930
  141    HE2  LYS  17          2HE       LYS  17   8.886  -8.852  -2.039
  142    HE3  LYS  17          1HE       LYS  17  10.154  -8.968  -0.816
  143    HZ1  LYS  17          1HZ       LYS  17  10.580 -11.234  -1.567
  144    HZ2  LYS  17          2HZ       LYS  17  10.766 -10.133  -2.824
  145    HZ3  LYS  17          3HZ       LYS  17   9.380 -11.089  -2.745
  146    H    LYS  18           H        LYS  18   4.234  -7.299  -1.339
  147    HA   LYS  18           HA       LYS  18   4.667  -4.949  -2.847
  148    HB2  LYS  18          2HB       LYS  18   2.249  -6.740  -2.628
  149    HB3  LYS  18          1HB       LYS  18   2.315  -5.369  -3.732
  150    HG2  LYS  18          2HG       LYS  18   4.228  -6.331  -4.857
  151    HG3  LYS  18          1HG       LYS  18   4.233  -7.689  -3.727
  152    HD2  LYS  18          2HD       LYS  18   1.980  -7.006  -5.612
  153    HD3  LYS  18          1HD       LYS  18   3.245  -8.181  -5.958
  154    HE2  LYS  18          2HE       LYS  18   2.543  -9.456  -3.956
  155    HE3  LYS  18          1HE       LYS  18   1.228  -8.308  -3.719
  156    HZ1  LYS  18          1HZ       LYS  18   0.432 -10.240  -4.865
  157    HZ2  LYS  18          2HZ       LYS  18   1.616 -10.092  -6.053
  158    HZ3  LYS  18          3HZ       LYS  18   0.394  -8.940  -5.943
  159    H    ARG  19           H        ARG  19   2.784  -5.581  -0.019
  160    HA   ARG  19           HA       ARG  19   1.293  -3.207   0.148
  161    HB2  ARG  19          2HB       ARG  19   0.992  -5.177   1.632
  162    HB3  ARG  19          1HB       ARG  19   2.536  -4.819   2.385
  163    HG2  ARG  19          2HG       ARG  19   1.561  -2.584   3.032
  164    HG3  ARG  19          1HG       ARG  19  -0.005  -3.224   2.527
  165    HD2  ARG  19          2HD       ARG  19   0.231  -3.557   4.896
  166    HD3  ARG  19          1HD       ARG  19   0.339  -5.126   4.094
  167    HE   ARG  19           HE       ARG  19   2.858  -3.771   4.629
  168   HH11  ARG  19          1HH1      ARG  19   0.649  -6.353   5.623
  169   HH12  ARG  19          2HH1      ARG  19   1.733  -7.004   6.753
  170   HH21  ARG  19          1HH2      ARG  19   4.290  -4.652   6.062
  171   HH22  ARG  19          2HH2      ARG  19   3.904  -6.022   7.028
  172    H    GLU  20           H        GLU  20   4.466  -4.079   1.537
  173    HA   GLU  20           HA       GLU  20   5.084  -1.573   2.600
  174    HB2  GLU  20          2HB       GLU  20   6.990  -3.704   1.639
  175    HB3  GLU  20          1HB       GLU  20   7.428  -2.342   2.657
  176    HG2  GLU  20          2HG       GLU  20   5.605  -4.629   3.359
  177    HG3  GLU  20          1HG       GLU  20   7.219  -4.317   3.990
  178    H    GLU  21           H        GLU  21   5.695  -2.941  -0.583
  179    HA   GLU  21           HA       GLU  21   7.305  -0.887  -1.551
  180    HB2  GLU  21          2HB       GLU  21   5.461  -2.764  -2.976
  181    HB3  GLU  21          1HB       GLU  21   6.417  -1.559  -3.830
  182    HG2  GLU  21          2HG       GLU  21   8.465  -2.561  -2.820
  183    HG3  GLU  21          1HG       GLU  21   7.449  -3.798  -2.088
  184    H    CYS  22           H        CYS  22   3.756  -1.187  -1.752
  185    HA   CYS  22           HA       CYS  22   3.511   1.290  -3.060
  186    HB2  CYS  22          2HB       CYS  22   1.624  -0.229  -3.151
  187    HB3  CYS  22          1HB       CYS  22   1.463  -0.210  -1.395
  188    H    LYS  23           H        LYS  23   3.521   0.335   0.282
  189    HA   LYS  23           HA       LYS  23   2.708   2.558   1.678
  190    HB2  LYS  23          2HB       LYS  23   3.178   0.375   2.662
  191    HB3  LYS  23          1HB       LYS  23   4.886   0.583   2.333
  192    HG2  LYS  23          2HG       LYS  23   4.487   0.943   4.656
  193    HG3  LYS  23          1HG       LYS  23   4.913   2.480   3.904
  194    HD2  LYS  23          2HD       LYS  23   2.584   3.138   3.857
  195    HD3  LYS  23          1HD       LYS  23   2.103   1.568   4.502
  196    HE2  LYS  23          2HE       LYS  23   3.830   3.608   5.896
  197    HE3  LYS  23          1HE       LYS  23   2.138   3.266   6.252
  198    HZ1  LYS  23          1HZ       LYS  23   2.798   0.986   6.872
  199    HZ2  LYS  23          2HZ       LYS  23   3.543   2.141   7.811
  200    HZ3  LYS  23          3HZ       LYS  23   4.417   1.375   6.602
  201    H    ARG  24           H        ARG  24   5.906   1.908   0.314
  202    HA   ARG  24           HA       ARG  24   7.133   4.216   1.505
  203    HB2  ARG  24          2HB       ARG  24   8.048   2.143  -0.422
  204    HB3  ARG  24          1HB       ARG  24   8.924   3.655  -0.362
  205    HG2  ARG  24          2HG       ARG  24   9.988   1.940   0.996
  206    HG3  ARG  24          1HG       ARG  24   9.441   3.284   1.989
  207    HD2  ARG  24          2HD       ARG  24   7.582   2.003   2.790
  208    HD3  ARG  24          1HD       ARG  24   7.913   0.712   1.637
  209    HE   ARG  24           HE       ARG  24  10.191   1.073   3.147
  210   HH11  ARG  24          1HH1      ARG  24   6.868   0.130   3.819
  211   HH12  ARG  24          2HH1      ARG  24   7.243  -1.064   4.982
  212   HH21  ARG  24          1HH2      ARG  24  10.754  -0.526   4.759
  213   HH22  ARG  24          2HH2      ARG  24   9.538  -1.389   5.577
  214    H    LYS  25           H        LYS  25   5.254   3.774  -1.320
  215    HA   LYS  25           HA       LYS  25   6.468   6.138  -2.531
  216    HB2  LYS  25          2HB       LYS  25   6.359   4.229  -4.010
  217    HB3  LYS  25          1HB       LYS  25   4.631   4.066  -3.740
  218    HG2  LYS  25          2HG       LYS  25   4.239   6.209  -4.840
  219    HG3  LYS  25          1HG       LYS  25   5.971   6.424  -5.064
  220    HD2  LYS  25          2HD       LYS  25   4.350   4.161  -6.246
  221    HD3  LYS  25          1HD       LYS  25   4.787   5.639  -7.101
  222    HE2  LYS  25          2HE       LYS  25   7.165   5.091  -6.780
  223    HE3  LYS  25          1HE       LYS  25   6.701   3.601  -5.969
  224    HZ1  LYS  25          1HZ       LYS  25   6.094   4.277  -8.806
  225    HZ2  LYS  25          2HZ       LYS  25   5.638   2.862  -8.013
  226    HZ3  LYS  25          3HZ       LYS  25   7.258   3.195  -8.256
  227    H    ALA  26           H        ALA  26   3.286   4.813  -1.739
  228    HA   ALA  26           HA       ALA  26   1.795   7.066  -2.476
  229    HB1  ALA  26          1HB       ALA  26  -0.000   6.064  -1.179
  230    HB2  ALA  26          2HB       ALA  26   1.146   4.962  -0.419
  231    HB3  ALA  26          3HB       ALA  26   0.826   4.844  -2.149
  Start of MODEL   15
    1    H    HIS   1           H        HIS   1   2.627   5.885  -0.166
    2    HA   HIS   1           HA       HIS   1   2.761   6.787   1.965
    3    HB2  HIS   1          2HB       HIS   1   3.248   9.355   0.456
    4    HB3  HIS   1          1HB       HIS   1   3.285   9.260   2.209
    5    HD1  HIS   1          1HD       HIS   1   5.394   8.737  -0.783
    6    HD2  HIS   1          2HD       HIS   1   5.388   7.609   3.222
    7    HE1  HIS   1          1HE       HIS   1   7.733   7.988  -0.268
    8    H    ASP   2           H        ASP   2   0.494   8.481  -0.108
    9    HA   ASP   2           HA       ASP   2  -1.012   9.857   1.778
   10    HB2  ASP   2          2HB       ASP   2  -2.020   8.583  -0.773
   11    HB3  ASP   2          1HB       ASP   2  -2.926   9.729   0.193
   12    HA   PRO   3           HA       PRO   3  -3.035   6.886   4.316
   13    HB2  PRO   3          2HB       PRO   3  -5.442   8.612   4.198
   14    HB3  PRO   3          1HB       PRO   3  -4.508   8.096   5.606
   15    HG2  PRO   3          2HG       PRO   3  -4.389  10.601   4.693
   16    HG3  PRO   3          1HG       PRO   3  -2.956   9.792   5.347
   17    HD2  PRO   3          2HD       PRO   3  -3.699  10.315   2.496
   18    HD3  PRO   3          1HD       PRO   3  -2.115  10.375   3.296
   19    H    GLU   4           H        GLU   4  -5.129   8.276   1.824
   20    HA   GLU   4           HA       GLU   4  -6.944   6.134   1.689
   21    HB2  GLU   4          2HB       GLU   4  -6.257   8.239  -0.361
   22    HB3  GLU   4          1HB       GLU   4  -7.523   7.053  -0.606
   23    HG2  GLU   4          2HG       GLU   4  -8.498   9.132   0.111
   24    HG3  GLU   4          1HG       GLU   4  -8.690   7.929   1.379
   25    H    LYS   5           H        LYS   5  -4.040   6.819  -0.112
   26    HA   LYS   5           HA       LYS   5  -4.207   4.620  -1.892
   27    HB2  LYS   5          2HB       LYS   5  -1.882   6.303  -0.980
   28    HB3  LYS   5          1HB       LYS   5  -1.755   5.066  -2.221
   29    HG2  LYS   5          2HG       LYS   5  -3.703   7.334  -2.429
   30    HG3  LYS   5          1HG       LYS   5  -2.039   7.475  -3.008
   31    HD2  LYS   5          2HD       LYS   5  -2.384   5.656  -4.551
   32    HD3  LYS   5          1HD       LYS   5  -3.985   5.335  -3.903
   33    HE2  LYS   5          2HE       LYS   5  -3.160   7.908  -5.257
   34    HE3  LYS   5          1HE       LYS   5  -3.990   6.583  -6.062
   35    HZ1  LYS   5          1HZ       LYS   5  -5.829   6.859  -4.520
   36    HZ2  LYS   5          2HZ       LYS   5  -5.572   8.274  -5.381
   37    HZ3  LYS   5          3HZ       LYS   5  -5.074   8.171  -3.781
   38    H    ARG   6           H        ARG   6  -2.652   5.083   1.239
   39    HA   ARG   6           HA       ARG   6  -1.393   2.592   1.446
   40    HB2  ARG   6          2HB       ARG   6  -2.517   4.436   3.544
   41    HB3  ARG   6          1HB       ARG   6  -1.690   2.940   3.948
   42    HG2  ARG   6          2HG       ARG   6   0.350   3.737   2.975
   43    HG3  ARG   6          1HG       ARG   6  -0.463   5.172   2.349
   44    HD2  ARG   6          2HD       ARG   6   0.846   5.618   4.397
   45    HD3  ARG   6          1HD       ARG   6  -0.867   5.981   4.579
   46    HE   ARG   6           HE       ARG   6  -0.506   3.389   5.464
   47   HH11  ARG   6          1HH1      ARG   6   0.684   6.602   6.467
   48   HH12  ARG   6          2HH1      ARG   6   0.722   6.206   8.114
   49   HH21  ARG   6          1HH2      ARG   6  -0.411   2.891   7.758
   50   HH22  ARG   6          2HH2      ARG   6   0.112   4.100   8.843
   51    H    LYS   7           H        LYS   7  -4.646   3.614   2.396
   52    HA   LYS   7           HA       LYS   7  -5.529   1.153   3.433
   53    HB2  LYS   7          2HB       LYS   7  -6.775   3.327   3.687
   54    HB3  LYS   7          1HB       LYS   7  -7.171   3.187   1.967
   55    HG2  LYS   7          2HG       LYS   7  -8.427   1.190   2.333
   56    HG3  LYS   7          1HG       LYS   7  -7.972   1.166   4.033
   57    HD2  LYS   7          2HD       LYS   7  -9.197   3.249   4.395
   58    HD3  LYS   7          1HD       LYS   7  -9.626   3.299   2.682
   59    HE2  LYS   7          2HE       LYS   7 -11.466   2.403   4.046
   60    HE3  LYS   7          1HE       LYS   7 -10.857   1.211   2.902
   61    HZ1  LYS   7          1HZ       LYS   7 -10.194   1.343   5.794
   62    HZ2  LYS   7          2HZ       LYS   7  -9.577   0.202   4.734
   63    HZ3  LYS   7          3HZ       LYS   7 -11.215   0.216   5.087
   64    H    GLU   8           H        GLU   8  -5.671   2.518   0.198
   65    HA   GLU   8           HA       GLU   8  -7.124   0.522  -1.005
   66    HB2  GLU   8          2HB       GLU   8  -6.829   2.592  -2.138
   67    HB3  GLU   8          1HB       GLU   8  -5.082   2.433  -2.115
   68    HG2  GLU   8          2HG       GLU   8  -5.184   0.633  -3.710
   69    HG3  GLU   8          1HG       GLU   8  -6.944   0.655  -3.670
   70    H    CYS   9           H        CYS   9  -3.644   0.862  -0.579
   71    HA   CYS   9           HA       CYS   9  -3.088  -1.561  -1.955
   72    HB2  CYS   9          2HB       CYS   9  -1.354   0.130  -0.181
   73    HB3  CYS   9          1HB       CYS   9  -0.781  -1.278  -1.074
   74    H    GLU  10           H        GLU  10  -3.694  -0.754   1.375
   75    HA   GLU  10           HA       GLU  10  -2.869  -3.176   2.573
   76    HB2  GLU  10          2HB       GLU  10  -3.401  -1.113   3.822
   77    HB3  GLU  10          1HB       GLU  10  -5.075  -1.237   3.323
   78    HG2  GLU  10          2HG       GLU  10  -5.299  -3.300   4.623
   79    HG3  GLU  10          1HG       GLU  10  -3.616  -3.154   5.126
   80    H    LYS  11           H        LYS  11  -5.727  -2.146   0.952
   81    HA   LYS  11           HA       LYS  11  -7.365  -4.450   1.429
   82    HB2  LYS  11          2HB       LYS  11  -8.363  -2.305   1.094
   83    HB3  LYS  11          1HB       LYS  11  -7.503  -2.078  -0.411
   84    HG2  LYS  11          2HG       LYS  11  -8.861  -3.903  -1.399
   85    HG3  LYS  11          1HG       LYS  11  -9.776  -3.980   0.114
   86    HD2  LYS  11          2HD       LYS  11 -10.484  -1.703  -0.122
   87    HD3  LYS  11          1HD       LYS  11  -9.427  -1.480  -1.509
   88    HE2  LYS  11          2HE       LYS  11 -10.762  -3.127  -2.761
   89    HE3  LYS  11          1HE       LYS  11 -11.830  -3.293  -1.367
   90    HZ1  LYS  11          1HZ       LYS  11 -12.718  -1.763  -3.042
   91    HZ2  LYS  11          2HZ       LYS  11 -11.383  -0.748  -2.853
   92    HZ3  LYS  11          3HZ       LYS  11 -12.442  -0.987  -1.580
   93    H    LYS  12           H        LYS  12  -5.689  -3.135  -1.418
   94    HA   LYS  12           HA       LYS  12  -6.371  -5.281  -3.132
   95    HB2  LYS  12          2HB       LYS  12  -5.913  -3.033  -3.975
   96    HB3  LYS  12          1HB       LYS  12  -4.256  -3.143  -3.418
   97    HG2  LYS  12          2HG       LYS  12  -4.355  -3.467  -5.815
   98    HG3  LYS  12          1HG       LYS  12  -3.850  -4.963  -5.031
   99    HD2  LYS  12          2HD       LYS  12  -6.119  -5.839  -5.224
  100    HD3  LYS  12          1HD       LYS  12  -6.648  -4.332  -5.977
  101    HE2  LYS  12          2HE       LYS  12  -6.278  -6.045  -7.664
  102    HE3  LYS  12          1HE       LYS  12  -5.104  -4.745  -7.844
  103    HZ1  LYS  12          1HZ       LYS  12  -4.098  -6.919  -8.076
  104    HZ2  LYS  12          2HZ       LYS  12  -4.569  -7.365  -6.523
  105    HZ3  LYS  12          3HZ       LYS  12  -3.454  -6.117  -6.758
  106    H    TYR  13           H        TYR  13  -3.442  -4.542  -1.250
  107    HA   TYR  13           HA       TYR  13  -2.285  -6.984  -2.317
  108    HB2  TYR  13          2HB       TYR  13  -0.888  -4.579  -1.144
  109    HB3  TYR  13          1HB       TYR  13  -0.093  -6.049  -1.681
  110    HD1  TYR  13          1HD       TYR  13  -0.238  -6.652  -4.152
  111    HD2  TYR  13          2HD       TYR  13  -1.362  -2.842  -2.641
  112    HE1  TYR  13          1HE       TYR  13  -0.023  -5.714  -6.390
  113    HE2  TYR  13          2HE       TYR  13  -1.154  -1.884  -4.888
  114    HH   TYR  13           HH       TYR  13   0.056  -2.412  -7.016
  115    H    THR  14           H        THR  14  -2.613  -8.594  -0.933
  116    HA   THR  14           HA       THR  14  -2.419  -8.082   1.886
  117    HB   THR  14           HB       THR  14  -2.653 -10.736   1.780
  118    HG1  THR  14          1HG       THR  14  -4.221 -10.980  -0.072
  119   HG21  THR  14          1HG2      THR  14  -5.126 -10.419   1.840
  120   HG22  THR  14          2HG2      THR  14  -4.879  -8.741   1.327
  121   HG23  THR  14          3HG2      THR  14  -4.249  -9.294   2.871
  122    H    ASP  15           H        ASP  15  -0.452  -8.863  -0.706
  123    HA   ASP  15           HA       ASP  15   1.539 -10.370   0.652
  124    HB2  ASP  15          2HB       ASP  15   1.470 -10.398  -1.792
  125    HB3  ASP  15          1HB       ASP  15   1.786  -8.666  -1.843
  126    HA   PRO  16           HA       PRO  16   2.984  -7.140   3.351
  127    HB2  PRO  16          2HB       PRO  16   5.419  -8.837   3.307
  128    HB3  PRO  16          1HB       PRO  16   4.520  -8.198   4.686
  129    HG2  PRO  16          2HG       PRO  16   4.299 -10.754   4.004
  130    HG3  PRO  16          1HG       PRO  16   2.886  -9.826   4.538
  131    HD2  PRO  16          2HD       PRO  16   3.644 -10.690   1.795
  132    HD3  PRO  16          1HD       PRO  16   2.048 -10.544   2.559
  133    H    LYS  17           H        LYS  17   5.071  -8.360   0.716
  134    HA   LYS  17           HA       LYS  17   6.864  -6.154   0.991
  135    HB2  LYS  17          2HB       LYS  17   7.517  -8.438   0.104
  136    HB3  LYS  17          1HB       LYS  17   6.654  -8.027  -1.368
  137    HG2  LYS  17          2HG       LYS  17   9.007  -7.654  -1.683
  138    HG3  LYS  17          1HG       LYS  17   8.169  -6.100  -1.672
  139    HD2  LYS  17          2HD       LYS  17   8.833  -5.733   0.648
  140    HD3  LYS  17          1HD       LYS  17   9.611  -7.316   0.689
  141    HE2  LYS  17          2HE       LYS  17  11.191  -6.571  -1.026
  142    HE3  LYS  17          1HE       LYS  17  10.386  -5.002  -1.078
  143    HZ1  LYS  17          1HZ       LYS  17  12.377  -4.939   0.307
  144    HZ2  LYS  17          2HZ       LYS  17  11.740  -6.154   1.295
  145    HZ3  LYS  17          3HZ       LYS  17  10.983  -4.658   1.226
  146    H    LYS  18           H        LYS  18   4.299  -7.049  -1.245
  147    HA   LYS  18           HA       LYS  18   4.484  -4.752  -2.891
  148    HB2  LYS  18          2HB       LYS  18   2.218  -6.637  -2.309
  149    HB3  LYS  18          1HB       LYS  18   2.038  -5.288  -3.421
  150    HG2  LYS  18          2HG       LYS  18   4.195  -7.338  -3.706
  151    HG3  LYS  18          1HG       LYS  18   2.603  -7.515  -4.458
  152    HD2  LYS  18          2HD       LYS  18   2.908  -5.554  -5.749
  153    HD3  LYS  18          1HD       LYS  18   4.348  -5.088  -4.851
  154    HE2  LYS  18          2HE       LYS  18   4.128  -7.572  -6.534
  155    HE3  LYS  18          1HE       LYS  18   4.797  -6.046  -7.109
  156    HZ1  LYS  18          1HZ       LYS  18   6.426  -6.199  -5.266
  157    HZ2  LYS  18          2HZ       LYS  18   6.589  -7.398  -6.416
  158    HZ3  LYS  18          3HZ       LYS  18   5.883  -7.762  -4.925
  159    H    ARG  19           H        ARG  19   2.819  -5.357   0.054
  160    HA   ARG  19           HA       ARG  19   1.342  -2.967   0.280
  161    HB2  ARG  19          2HB       ARG  19   1.042  -5.022   1.631
  162    HB3  ARG  19          1HB       ARG  19   2.578  -4.708   2.409
  163    HG2  ARG  19          2HG       ARG  19   1.653  -2.649   3.362
  164    HG3  ARG  19          1HG       ARG  19   0.097  -3.021   2.603
  165    HD2  ARG  19          2HD       ARG  19   0.082  -5.184   3.771
  166    HD3  ARG  19          1HD       ARG  19   1.562  -4.726   4.603
  167    HE   ARG  19           HE       ARG  19   0.034  -2.740   5.318
  168   HH11  ARG  19          1HH1      ARG  19  -0.647  -6.197   5.182
  169   HH12  ARG  19          2HH1      ARG  19  -1.931  -6.138   6.301
  170   HH21  ARG  19          1HH2      ARG  19  -1.733  -2.681   6.915
  171   HH22  ARG  19          2HH2      ARG  19  -2.551  -4.111   7.301
  172    H    GLU  20           H        GLU  20   4.517  -3.961   1.482
  173    HA   GLU  20           HA       GLU  20   5.411  -1.626   2.703
  174    HB2  GLU  20          2HB       GLU  20   6.427  -3.874   2.870
  175    HB3  GLU  20          1HB       GLU  20   6.969  -3.735   1.211
  176    HG2  GLU  20          2HG       GLU  20   8.360  -1.807   1.881
  177    HG3  GLU  20          1HG       GLU  20   7.877  -2.093   3.555
  178    H    GLU  21           H        GLU  21   5.915  -2.815  -0.605
  179    HA   GLU  21           HA       GLU  21   7.380  -0.720  -1.667
  180    HB2  GLU  21          2HB       GLU  21   5.362  -2.528  -2.958
  181    HB3  GLU  21          1HB       GLU  21   6.304  -1.361  -3.868
  182    HG2  GLU  21          2HG       GLU  21   8.360  -2.489  -3.118
  183    HG3  GLU  21          1HG       GLU  21   7.379  -3.667  -2.246
  184    H    CYS  22           H        CYS  22   3.865  -1.115  -1.566
  185    HA   CYS  22           HA       CYS  22   3.350   1.320  -2.865
  186    HB2  CYS  22          2HB       CYS  22   1.626  -0.366  -2.809
  187    HB3  CYS  22          1HB       CYS  22   1.559  -0.291  -1.049
  188    H    LYS  23           H        LYS  23   3.719   0.458   0.514
  189    HA   LYS  23           HA       LYS  23   2.761   2.802   1.699
  190    HB2  LYS  23          2HB       LYS  23   3.247   0.648   2.857
  191    HB3  LYS  23          1HB       LYS  23   4.961   0.974   2.674
  192    HG2  LYS  23          2HG       LYS  23   4.752   2.941   4.083
  193    HG3  LYS  23          1HG       LYS  23   3.017   2.655   4.232
  194    HD2  LYS  23          2HD       LYS  23   3.520   0.442   5.235
  195    HD3  LYS  23          1HD       LYS  23   5.234   0.850   5.187
  196    HE2  LYS  23          2HE       LYS  23   4.282   1.271   7.399
  197    HE3  LYS  23          1HE       LYS  23   4.835   2.761   6.635
  198    HZ1  LYS  23          1HZ       LYS  23   2.670   2.988   7.716
  199    HZ2  LYS  23          2HZ       LYS  23   1.996   1.852   6.661
  200    HZ3  LYS  23          3HZ       LYS  23   2.606   3.315   6.073
  201    H    ARG  24           H        ARG  24   5.883   1.940   0.410
  202    HA   ARG  24           HA       ARG  24   7.123   4.465   1.139
  203    HB2  ARG  24          2HB       ARG  24   8.088   2.166  -0.547
  204    HB3  ARG  24          1HB       ARG  24   9.062   3.554  -0.112
  205    HG2  ARG  24          2HG       ARG  24   8.901   2.922   2.244
  206    HG3  ARG  24          1HG       ARG  24   7.903   1.534   1.797
  207    HD2  ARG  24          2HD       ARG  24  10.219   0.843   2.101
  208    HD3  ARG  24          1HD       ARG  24   9.727   0.669   0.420
  209    HE   ARG  24           HE       ARG  24  11.153   3.074   1.275
  210   HH11  ARG  24          1HH1      ARG  24  11.142   0.090  -0.664
  211   HH12  ARG  24          2HH1      ARG  24  12.479   0.507  -1.601
  212   HH21  ARG  24          1HH2      ARG  24  13.053   3.638  -0.031
  213   HH22  ARG  24          2HH2      ARG  24  13.604   2.561  -1.228
  214    H    LYS  25           H        LYS  25   5.063   3.497  -1.270
  215    HA   LYS  25           HA       LYS  25   6.349   5.083  -3.374
  216    HB2  LYS  25          2HB       LYS  25   5.638   2.801  -3.954
  217    HB3  LYS  25          1HB       LYS  25   3.996   3.208  -3.498
  218    HG2  LYS  25          2HG       LYS  25   3.901   4.842  -5.324
  219    HG3  LYS  25          1HG       LYS  25   5.543   4.389  -5.794
  220    HD2  LYS  25          2HD       LYS  25   4.802   2.088  -6.168
  221    HD3  LYS  25          1HD       LYS  25   3.170   2.530  -5.689
  222    HE2  LYS  25          2HE       LYS  25   3.352   2.432  -8.114
  223    HE3  LYS  25          1HE       LYS  25   3.023   4.075  -7.580
  224    HZ1  LYS  25          1HZ       LYS  25   5.389   4.596  -7.895
  225    HZ2  LYS  25          2HZ       LYS  25   4.729   3.983  -9.316
  226    HZ3  LYS  25          3HZ       LYS  25   5.688   3.012  -8.374
  227    H    ALA  26           H        ALA  26   3.149   4.646  -1.931
  228    HA   ALA  26           HA       ALA  26   2.329   7.095  -3.244
  229    HB1  ALA  26          1HB       ALA  26   0.073   6.484  -2.720
  230    HB2  ALA  26          2HB       ALA  26   0.646   5.173  -1.688
  231    HB3  ALA  26          3HB       ALA  26   0.918   5.108  -3.429
  Start of MODEL   16
    1    H    HIS   1           H        HIS   1   1.313   8.439  -2.096
    2    HA   HIS   1           HA       HIS   1   2.211   8.913   0.655
    3    HB2  HIS   1          2HB       HIS   1   2.277  10.751  -1.751
    4    HB3  HIS   1          1HB       HIS   1   2.699  11.248  -0.116
    5    HD1  HIS   1          1HD       HIS   1   5.137  10.996   0.476
    6    HD2  HIS   1          2HD       HIS   1   4.017   8.604  -2.727
    7    HE1  HIS   1          1HE       HIS   1   7.256   9.943  -0.379
    8    H    ASP   2           H        ASP   2  -0.446   8.460  -0.924
    9    HA   ASP   2           HA       ASP   2  -2.133  10.642  -0.103
   10    HB2  ASP   2          2HB       ASP   2  -2.790   7.793  -0.935
   11    HB3  ASP   2          1HB       ASP   2  -3.992   9.033  -0.634
   12    HA   PRO   3           HA       PRO   3  -2.877   9.218   4.126
   13    HB2  PRO   3          2HB       PRO   3  -5.587   9.711   4.341
   14    HB3  PRO   3          1HB       PRO   3  -4.351  10.960   4.522
   15    HG2  PRO   3          2HG       PRO   3  -6.022  10.277   2.131
   16    HG3  PRO   3          1HG       PRO   3  -5.586  11.873   2.770
   17    HD2  PRO   3          2HD       PRO   3  -4.337  10.838   0.641
   18    HD3  PRO   3          1HD       PRO   3  -3.456  11.794   1.850
   19    H    GLU   4           H        GLU   4  -4.489   8.124   1.407
   20    HA   GLU   4           HA       GLU   4  -5.926   5.853   2.472
   21    HB2  GLU   4          2HB       GLU   4  -5.246   6.615  -0.365
   22    HB3  GLU   4          1HB       GLU   4  -6.409   5.403   0.132
   23    HG2  GLU   4          2HG       GLU   4  -6.630   8.333   0.751
   24    HG3  GLU   4          1HG       GLU   4  -7.395   7.538  -0.620
   25    H    LYS   5           H        LYS   5  -2.693   6.406   2.045
   26    HA   LYS   5           HA       LYS   5  -1.677   4.597   0.296
   27    HB2  LYS   5          2HB       LYS   5   0.437   4.573   1.586
   28    HB3  LYS   5          1HB       LYS   5  -0.203   6.171   1.271
   29    HG2  LYS   5          2HG       LYS   5  -0.968   6.340   3.572
   30    HG3  LYS   5          1HG       LYS   5  -0.416   4.691   3.890
   31    HD2  LYS   5          2HD       LYS   5   1.878   5.368   3.326
   32    HD3  LYS   5          1HD       LYS   5   1.313   7.015   3.058
   33    HE2  LYS   5          2HE       LYS   5   0.657   7.200   5.376
   34    HE3  LYS   5          1HE       LYS   5   1.094   5.518   5.660
   35    HZ1  LYS   5          1HZ       LYS   5   2.956   7.691   4.880
   36    HZ2  LYS   5          2HZ       LYS   5   3.400   6.089   5.121
   37    HZ3  LYS   5          3HZ       LYS   5   2.824   7.012   6.415
   38    H    ARG   6           H        ARG   6  -2.069   3.686   3.763
   39    HA   ARG   6           HA       ARG   6  -1.208   1.025   3.199
   40    HB2  ARG   6          2HB       ARG   6  -1.006   1.780   5.500
   41    HB3  ARG   6          1HB       ARG   6  -2.738   2.106   5.583
   42    HG2  ARG   6          2HG       ARG   6  -3.146  -0.319   5.166
   43    HG3  ARG   6          1HG       ARG   6  -1.416  -0.582   5.308
   44    HD2  ARG   6          2HD       ARG   6  -1.426  -0.012   7.590
   45    HD3  ARG   6          1HD       ARG   6  -3.040   0.704   7.482
   46    HE   ARG   6           HE       ARG   6  -3.007  -2.046   6.716
   47   HH11  ARG   6          1HH1      ARG   6  -3.025  -0.015   9.592
   48   HH12  ARG   6          2HH1      ARG   6  -3.986  -1.073  10.506
   49   HH21  ARG   6          1HH2      ARG   6  -4.353  -3.431   7.861
   50   HH22  ARG   6          2HH2      ARG   6  -4.789  -3.117   9.487
   51    H    LYS   7           H        LYS   7  -4.214   2.630   3.534
   52    HA   LYS   7           HA       LYS   7  -6.036   0.559   3.561
   53    HB2  LYS   7          2HB       LYS   7  -6.455   3.005   3.921
   54    HB3  LYS   7          1HB       LYS   7  -6.264   3.176   2.182
   55    HG2  LYS   7          2HG       LYS   7  -8.230   1.844   1.793
   56    HG3  LYS   7          1HG       LYS   7  -8.438   1.629   3.540
   57    HD2  LYS   7          2HD       LYS   7  -8.673   3.974   3.872
   58    HD3  LYS   7          1HD       LYS   7  -8.281   4.306   2.192
   59    HE2  LYS   7          2HE       LYS   7 -10.341   3.043   1.562
   60    HE3  LYS   7          1HE       LYS   7 -10.734   2.962   3.281
   61    HZ1  LYS   7          1HZ       LYS   7 -11.786   4.853   2.143
   62    HZ2  LYS   7          2HZ       LYS   7 -10.245   5.476   1.804
   63    HZ3  LYS   7          3HZ       LYS   7 -10.771   5.334   3.394
   64    H    GLU   8           H        GLU   8  -4.993   2.436   0.765
   65    HA   GLU   8           HA       GLU   8  -6.377   0.889  -1.084
   66    HB2  GLU   8          2HB       GLU   8  -5.700   3.182  -1.552
   67    HB3  GLU   8          1HB       GLU   8  -4.008   2.719  -1.478
   68    HG2  GLU   8          2HG       GLU   8  -4.318   1.281  -3.433
   69    HG3  GLU   8          1HG       GLU   8  -6.006   1.765  -3.513
   70    H    CYS   9           H        CYS   9  -3.069   0.831   0.142
   71    HA   CYS   9           HA       CYS   9  -2.277  -1.046  -1.860
   72    HB2  CYS   9          2HB       CYS   9  -0.780  -0.055   0.556
   73    HB3  CYS   9          1HB       CYS   9  -0.105  -1.147  -0.652
   74    H    GLU  10           H        GLU  10  -3.529  -1.327   1.333
   75    HA   GLU  10           HA       GLU  10  -2.823  -4.125   1.527
   76    HB2  GLU  10          2HB       GLU  10  -2.957  -2.584   3.507
   77    HB3  GLU  10          1HB       GLU  10  -4.682  -2.463   3.233
   78    HG2  GLU  10          2HG       GLU  10  -5.012  -4.745   3.792
   79    HG3  GLU  10          1HG       GLU  10  -3.275  -5.050   3.826
   80    H    LYS  11           H        LYS  11  -5.428  -2.142   0.466
   81    HA   LYS  11           HA       LYS  11  -7.480  -4.085   0.368
   82    HB2  LYS  11          2HB       LYS  11  -7.864  -1.663   0.255
   83    HB3  LYS  11          1HB       LYS  11  -7.005  -1.594  -1.268
   84    HG2  LYS  11          2HG       LYS  11  -8.757  -2.984  -2.287
   85    HG3  LYS  11          1HG       LYS  11  -9.629  -2.964  -0.749
   86    HD2  LYS  11          2HD       LYS  11  -9.745  -0.533  -0.831
   87    HD3  LYS  11          1HD       LYS  11  -8.856  -0.534  -2.352
   88    HE2  LYS  11          2HE       LYS  11 -10.679  -1.805  -3.397
   89    HE3  LYS  11          1HE       LYS  11 -11.548  -1.773  -1.862
   90    HZ1  LYS  11          1HZ       LYS  11 -10.757   0.627  -3.401
   91    HZ2  LYS  11          2HZ       LYS  11 -11.665   0.612  -1.990
   92    HZ3  LYS  11          3HZ       LYS  11 -12.293  -0.056  -3.405
   93    H    LYS  12           H        LYS  12  -5.034  -2.958  -1.909
   94    HA   LYS  12           HA       LYS  12  -5.879  -4.906  -3.872
   95    HB2  LYS  12          2HB       LYS  12  -5.166  -2.661  -4.575
   96    HB3  LYS  12          1HB       LYS  12  -3.562  -2.971  -3.934
   97    HG2  LYS  12          2HG       LYS  12  -3.568  -3.225  -6.347
   98    HG3  LYS  12          1HG       LYS  12  -3.264  -4.780  -5.574
   99    HD2  LYS  12          2HD       LYS  12  -5.584  -5.429  -5.911
  100    HD3  LYS  12          1HD       LYS  12  -5.947  -3.855  -6.619
  101    HE2  LYS  12          2HE       LYS  12  -5.664  -5.501  -8.370
  102    HE3  LYS  12          1HE       LYS  12  -4.341  -4.342  -8.429
  103    HZ1  LYS  12          1HZ       LYS  12  -3.575  -6.590  -8.723
  104    HZ2  LYS  12          2HZ       LYS  12  -4.190  -7.063  -7.230
  105    HZ3  LYS  12          3HZ       LYS  12  -2.921  -5.955  -7.317
  106    H    TYR  13           H        TYR  13  -3.010  -4.356  -1.795
  107    HA   TYR  13           HA       TYR  13  -2.004  -6.952  -2.682
  108    HB2  TYR  13          2HB       TYR  13  -0.470  -4.722  -1.334
  109    HB3  TYR  13          1HB       TYR  13   0.195  -6.196  -2.019
  110    HD1  TYR  13          1HD       TYR  13   0.378  -6.434  -4.469
  111    HD2  TYR  13          2HD       TYR  13  -1.036  -2.849  -2.699
  112    HE1  TYR  13          1HE       TYR  13   0.766  -5.256  -6.573
  113    HE2  TYR  13          2HE       TYR  13  -0.667  -1.646  -4.802
  114    HH   TYR  13           HH       TYR  13  -0.165  -3.168  -7.708
  115    H    THR  14           H        THR  14  -2.435  -8.493  -1.250
  116    HA   THR  14           HA       THR  14  -2.554  -7.769   1.548
  117    HB   THR  14           HB       THR  14  -3.295 -10.196   1.837
  118    HG1  THR  14          1HG       THR  14  -2.453 -10.977  -0.145
  119   HG21  THR  14          1HG2      THR  14  -4.952  -8.471  -0.016
  120   HG22  THR  14          2HG2      THR  14  -4.856  -8.273   1.727
  121   HG23  THR  14          3HG2      THR  14  -5.569  -9.735   1.052
  122    H    ASP  15           H        ASP  15  -0.438  -8.835  -0.726
  123    HA   ASP  15           HA       ASP  15   1.348 -10.383   0.872
  124    HB2  ASP  15          2HB       ASP  15   1.405 -10.521  -1.564
  125    HB3  ASP  15          1HB       ASP  15   1.790  -8.806  -1.675
  126    HA   PRO  16           HA       PRO  16   2.587  -6.898   3.329
  127    HB2  PRO  16          2HB       PRO  16   4.824  -8.007   4.450
  128    HB3  PRO  16          1HB       PRO  16   3.169  -8.334   4.979
  129    HG2  PRO  16          2HG       PRO  16   4.922  -9.932   3.168
  130    HG3  PRO  16          1HG       PRO  16   3.882 -10.495   4.490
  131    HD2  PRO  16          2HD       PRO  16   3.128 -10.689   1.930
  132    HD3  PRO  16          1HD       PRO  16   1.952 -10.307   3.207
  133    H    LYS  17           H        LYS  17   4.871  -8.456   1.140
  134    HA   LYS  17           HA       LYS  17   6.841  -6.412   1.395
  135    HB2  LYS  17          2HB       LYS  17   7.413  -8.722   0.700
  136    HB3  LYS  17          1HB       LYS  17   6.462  -8.504  -0.757
  137    HG2  LYS  17          2HG       LYS  17   7.997  -6.761  -1.510
  138    HG3  LYS  17          1HG       LYS  17   8.943  -6.954  -0.034
  139    HD2  LYS  17          2HD       LYS  17   9.411  -9.287  -0.652
  140    HD3  LYS  17          1HD       LYS  17   8.479  -9.076  -2.134
  141    HE2  LYS  17          2HE       LYS  17  10.950  -7.510  -1.396
  142    HE3  LYS  17          1HE       LYS  17  10.912  -8.889  -2.494
  143    HZ1  LYS  17          1HZ       LYS  17  10.889  -6.765  -3.671
  144    HZ2  LYS  17          2HZ       LYS  17   9.464  -6.312  -2.914
  145    HZ3  LYS  17          3HZ       LYS  17   9.473  -7.617  -3.967
  146    H    LYS  18           H        LYS  18   4.504  -7.323  -1.101
  147    HA   LYS  18           HA       LYS  18   4.899  -5.088  -2.770
  148    HB2  LYS  18          2HB       LYS  18   2.419  -6.758  -2.379
  149    HB3  LYS  18          1HB       LYS  18   2.643  -5.597  -3.675
  150    HG2  LYS  18          2HG       LYS  18   4.492  -6.904  -4.540
  151    HG3  LYS  18          1HG       LYS  18   4.293  -8.066  -3.219
  152    HD2  LYS  18          2HD       LYS  18   2.005  -8.523  -4.019
  153    HD3  LYS  18          1HD       LYS  18   2.273  -7.404  -5.359
  154    HE2  LYS  18          2HE       LYS  18   4.141  -8.794  -6.121
  155    HE3  LYS  18          1HE       LYS  18   3.827  -9.915  -4.801
  156    HZ1  LYS  18          1HZ       LYS  18   1.923  -9.280  -6.996
  157    HZ2  LYS  18          2HZ       LYS  18   1.632 -10.332  -5.734
  158    HZ3  LYS  18          3HZ       LYS  18   2.838 -10.690  -6.860
  159    H    ARG  19           H        ARG  19   2.680  -5.663  -0.109
  160    HA   ARG  19           HA       ARG  19   1.232  -3.295  -0.282
  161    HB2  ARG  19          2HB       ARG  19   0.446  -5.116   1.077
  162    HB3  ARG  19          1HB       ARG  19   1.853  -5.006   2.119
  163    HG2  ARG  19          2HG       ARG  19   1.119  -2.933   3.021
  164    HG3  ARG  19          1HG       ARG  19  -0.165  -2.805   1.821
  165    HD2  ARG  19          2HD       ARG  19  -1.051  -3.516   3.966
  166    HD3  ARG  19          1HD       ARG  19  -1.247  -4.761   2.741
  167    HE   ARG  19           HE       ARG  19   1.003  -4.918   4.595
  168   HH11  ARG  19          1HH1      ARG  19  -2.049  -6.258   3.362
  169   HH12  ARG  19          2HH1      ARG  19  -2.056  -7.592   4.422
  170   HH21  ARG  19          1HH2      ARG  19   0.988  -6.841   6.021
  171   HH22  ARG  19          2HH2      ARG  19  -0.309  -7.939   5.931
  172    H    GLU  20           H        GLU  20   4.221  -3.962   1.536
  173    HA   GLU  20           HA       GLU  20   4.263  -1.363   2.678
  174    HB2  GLU  20          2HB       GLU  20   5.441  -3.277   3.693
  175    HB3  GLU  20          1HB       GLU  20   6.563  -3.286   2.337
  176    HG2  GLU  20          2HG       GLU  20   7.319  -1.057   2.926
  177    HG3  GLU  20          1HG       GLU  20   6.163  -1.004   4.251
  178    H    GLU  21           H        GLU  21   5.820  -2.822  -0.133
  179    HA   GLU  21           HA       GLU  21   7.338  -0.574  -0.854
  180    HB2  GLU  21          2HB       GLU  21   6.215  -2.829  -2.474
  181    HB3  GLU  21          1HB       GLU  21   7.195  -1.554  -3.184
  182    HG2  GLU  21          2HG       GLU  21   9.033  -2.179  -1.618
  183    HG3  GLU  21          1HG       GLU  21   8.018  -3.468  -0.980
  184    H    CYS  22           H        CYS  22   4.075  -1.550  -1.640
  185    HA   CYS  22           HA       CYS  22   3.570   0.511  -3.390
  186    HB2  CYS  22          2HB       CYS  22   2.139  -1.431  -3.336
  187    HB3  CYS  22          1HB       CYS  22   1.698  -1.117  -1.666
  188    H    LYS  23           H        LYS  23   3.029   0.170   0.115
  189    HA   LYS  23           HA       LYS  23   1.704   2.624   0.559
  190    HB2  LYS  23          2HB       LYS  23   1.661   0.653   2.077
  191    HB3  LYS  23          1HB       LYS  23   3.342   0.949   2.474
  192    HG2  LYS  23          2HG       LYS  23   2.722   3.091   3.487
  193    HG3  LYS  23          1HG       LYS  23   1.035   2.796   3.073
  194    HD2  LYS  23          2HD       LYS  23   1.370   2.224   5.389
  195    HD3  LYS  23          1HD       LYS  23   1.094   0.748   4.473
  196    HE2  LYS  23          2HE       LYS  23   2.878   0.395   6.072
  197    HE3  LYS  23          1HE       LYS  23   3.538   0.341   4.444
  198    HZ1  LYS  23          1HZ       LYS  23   4.399   2.561   4.722
  199    HZ2  LYS  23          2HZ       LYS  23   4.914   1.602   6.005
  200    HZ3  LYS  23          3HZ       LYS  23   3.658   2.706   6.234
  201    H    ARG  24           H        ARG  24   4.928   1.912  -0.065
  202    HA   ARG  24           HA       ARG  24   6.066   4.266   1.184
  203    HB2  ARG  24          2HB       ARG  24   7.249   2.065   1.004
  204    HB3  ARG  24          1HB       ARG  24   7.278   2.272  -0.732
  205    HG2  ARG  24          2HG       ARG  24   8.690   4.247  -0.473
  206    HG3  ARG  24          1HG       ARG  24   8.653   4.035   1.282
  207    HD2  ARG  24          2HD       ARG  24   9.619   1.784   0.998
  208    HD3  ARG  24          1HD       ARG  24   9.735   2.071  -0.731
  209    HE   ARG  24           HE       ARG  24  11.029   4.130   0.651
  210   HH11  ARG  24          1HH1      ARG  24  11.473   0.692  -0.175
  211   HH12  ARG  24          2HH1      ARG  24  13.157   0.741  -0.059
  212   HH21  ARG  24          1HH2      ARG  24  13.362   4.198   0.736
  213   HH22  ARG  24          2HH2      ARG  24  14.260   2.787   0.450
  214    H    LYS  25           H        LYS  25   4.769   3.248  -1.842
  215    HA   LYS  25           HA       LYS  25   5.867   5.519  -3.297
  216    HB2  LYS  25          2HB       LYS  25   5.925   3.316  -4.356
  217    HB3  LYS  25          1HB       LYS  25   4.193   3.152  -4.172
  218    HG2  LYS  25          2HG       LYS  25   3.877   5.043  -5.716
  219    HG3  LYS  25          1HG       LYS  25   5.629   5.153  -5.899
  220    HD2  LYS  25          2HD       LYS  25   5.681   2.869  -6.766
  221    HD3  LYS  25          1HD       LYS  25   3.931   2.766  -6.599
  222    HE2  LYS  25          2HE       LYS  25   4.564   3.263  -8.903
  223    HE3  LYS  25          1HE       LYS  25   3.657   4.593  -8.193
  224    HZ1  LYS  25          1HZ       LYS  25   5.729   5.785  -7.840
  225    HZ2  LYS  25          2HZ       LYS  25   5.583   5.362  -9.456
  226    HZ3  LYS  25          3HZ       LYS  25   6.618   4.488  -8.461
  227    H    ALA  26           H        ALA  26   3.082   4.480  -1.658
  228    HA   ALA  26           HA       ALA  26   1.383   6.490  -2.861
  229    HB1  ALA  26          1HB       ALA  26   0.796   4.494  -0.674
  230    HB2  ALA  26          2HB       ALA  26   0.440   4.269  -2.383
  231    HB3  ALA  26          3HB       ALA  26  -0.383   5.536  -1.470
  Start of MODEL   17
    1    H    HIS   1           H        HIS   1   1.547   8.645  -1.342
    2    HA   HIS   1           HA       HIS   1   2.808   9.260   1.234
    3    HB2  HIS   1          2HB       HIS   1   2.069  11.041  -1.112
    4    HB3  HIS   1          1HB       HIS   1   2.584  11.673   0.443
    5    HD1  HIS   1          1HD       HIS   1   5.043  12.136   0.601
    6    HD2  HIS   1          2HD       HIS   1   4.157   9.304  -2.309
    7    HE1  HIS   1          1HE       HIS   1   7.234  11.598  -0.535
    8    H    ASP   2           H        ASP   2  -0.085   8.664  -0.253
    9    HA   ASP   2           HA       ASP   2  -1.676  10.330   1.556
   10    HB2  ASP   2          2HB       ASP   2  -2.589   8.597  -0.743
   11    HB3  ASP   2          1HB       ASP   2  -3.606   9.647   0.210
   12    HA   PRO   3           HA       PRO   3  -2.394   6.660   4.030
   13    HB2  PRO   3          2HB       PRO   3  -4.590   7.614   5.383
   14    HB3  PRO   3          1HB       PRO   3  -2.931   8.015   5.826
   15    HG2  PRO   3          2HG       PRO   3  -4.901   9.584   4.234
   16    HG3  PRO   3          1HG       PRO   3  -3.755  10.155   5.464
   17    HD2  PRO   3          2HD       PRO   3  -3.330  10.444   2.806
   18    HD3  PRO   3          1HD       PRO   3  -1.994  10.185   3.952
   19    H    GLU   4           H        GLU   4  -4.659   8.227   1.970
   20    HA   GLU   4           HA       GLU   4  -6.726   6.287   1.966
   21    HB2  GLU   4          2HB       GLU   4  -5.905   8.190  -0.239
   22    HB3  GLU   4          1HB       GLU   4  -7.425   7.314  -0.151
   23    HG2  GLU   4          2HG       GLU   4  -6.481   9.435   1.758
   24    HG3  GLU   4          1HG       GLU   4  -7.721   9.621   0.521
   25    H    LYS   5           H        LYS   5  -3.905   6.832  -0.121
   26    HA   LYS   5           HA       LYS   5  -4.343   4.585  -1.763
   27    HB2  LYS   5          2HB       LYS   5  -2.045   6.419  -1.322
   28    HB3  LYS   5          1HB       LYS   5  -1.710   4.873  -2.078
   29    HG2  LYS   5          2HG       LYS   5  -2.040   6.641  -3.728
   30    HG3  LYS   5          1HG       LYS   5  -3.259   5.380  -3.871
   31    HD2  LYS   5          2HD       LYS   5  -4.850   6.808  -2.668
   32    HD3  LYS   5          1HD       LYS   5  -3.619   8.066  -2.545
   33    HE2  LYS   5          2HE       LYS   5  -3.510   8.252  -4.939
   34    HE3  LYS   5          1HE       LYS   5  -4.640   6.916  -5.130
   35    HZ1  LYS   5          1HZ       LYS   5  -6.322   8.264  -4.015
   36    HZ2  LYS   5          2HZ       LYS   5  -5.743   9.031  -5.393
   37    HZ3  LYS   5          3HZ       LYS   5  -5.220   9.534  -3.876
   38    H    ARG   6           H        ARG   6  -2.515   5.040   1.174
   39    HA   ARG   6           HA       ARG   6  -1.304   2.521   1.327
   40    HB2  ARG   6          2HB       ARG   6  -2.358   4.291   3.506
   41    HB3  ARG   6          1HB       ARG   6  -1.484   2.807   3.826
   42    HG2  ARG   6          2HG       ARG   6   0.460   3.718   2.643
   43    HG3  ARG   6          1HG       ARG   6  -0.432   5.224   2.377
   44    HD2  ARG   6          2HD       ARG   6   1.055   5.332   4.356
   45    HD3  ARG   6          1HD       ARG   6  -0.651   5.564   4.740
   46    HE   ARG   6           HE       ARG   6   0.153   2.843   4.966
   47   HH11  ARG   6          1HH1      ARG   6   0.184   5.929   6.685
   48   HH12  ARG   6          2HH1      ARG   6   0.141   5.236   8.234
   49   HH21  ARG   6          1HH2      ARG   6   0.106   1.883   7.086
   50   HH22  ARG   6          2HH2      ARG   6   0.125   2.881   8.471
   51    H    LYS   7           H        LYS   7  -4.496   3.557   2.341
   52    HA   LYS   7           HA       LYS   7  -5.402   1.171   3.512
   53    HB2  LYS   7          2HB       LYS   7  -6.471   3.442   3.677
   54    HB3  LYS   7          1HB       LYS   7  -6.959   3.224   1.998
   55    HG2  LYS   7          2HG       LYS   7  -8.404   1.419   2.568
   56    HG3  LYS   7          1HG       LYS   7  -7.849   1.442   4.247
   57    HD2  LYS   7          2HD       LYS   7  -8.666   3.747   4.458
   58    HD3  LYS   7          1HD       LYS   7  -9.275   3.674   2.808
   59    HE2  LYS   7          2HE       LYS   7 -10.800   1.889   3.431
   60    HE3  LYS   7          1HE       LYS   7 -10.149   1.888   5.070
   61    HZ1  LYS   7          1HZ       LYS   7 -10.960   4.130   5.378
   62    HZ2  LYS   7          2HZ       LYS   7 -12.250   3.163   4.872
   63    HZ3  LYS   7          3HZ       LYS   7 -11.486   4.197   3.787
   64    H    GLU   8           H        GLU   8  -5.789   2.506   0.252
   65    HA   GLU   8           HA       GLU   8  -7.221   0.392  -0.789
   66    HB2  GLU   8          2HB       GLU   8  -5.386   2.306  -2.231
   67    HB3  GLU   8          1HB       GLU   8  -6.541   1.244  -3.021
   68    HG2  GLU   8          2HG       GLU   8  -8.362   2.374  -1.802
   69    HG3  GLU   8          1HG       GLU   8  -7.175   3.480  -1.114
   70    H    CYS   9           H        CYS   9  -3.760   0.966  -0.608
   71    HA   CYS   9           HA       CYS   9  -3.043  -1.313  -2.129
   72    HB2  CYS   9          2HB       CYS   9  -1.436   0.468  -0.333
   73    HB3  CYS   9          1HB       CYS   9  -0.739  -0.889  -1.211
   74    H    GLU  10           H        GLU  10  -3.506  -0.804   1.328
   75    HA   GLU  10           HA       GLU  10  -2.363  -3.284   2.094
   76    HB2  GLU  10          2HB       GLU  10  -2.749  -1.408   3.663
   77    HB3  GLU  10          1HB       GLU  10  -4.482  -1.632   3.483
   78    HG2  GLU  10          2HG       GLU  10  -4.304  -3.853   4.457
   79    HG3  GLU  10          1HG       GLU  10  -2.562  -3.647   4.622
   80    H    LYS  11           H        LYS  11  -5.522  -2.212   1.160
   81    HA   LYS  11           HA       LYS  11  -6.963  -4.604   1.528
   82    HB2  LYS  11          2HB       LYS  11  -8.107  -2.515   1.198
   83    HB3  LYS  11          1HB       LYS  11  -7.300  -2.257  -0.338
   84    HG2  LYS  11          2HG       LYS  11  -8.503  -4.194  -1.257
   85    HG3  LYS  11          1HG       LYS  11  -9.369  -4.354   0.272
   86    HD2  LYS  11          2HD       LYS  11 -10.323  -2.146  -0.008
   87    HD3  LYS  11          1HD       LYS  11  -9.381  -1.896  -1.478
   88    HE2  LYS  11          2HE       LYS  11 -11.649  -2.495  -2.077
   89    HE3  LYS  11          1HE       LYS  11 -10.549  -3.794  -2.512
   90    HZ1  LYS  11          1HZ       LYS  11 -12.597  -4.592  -1.461
   91    HZ2  LYS  11          2HZ       LYS  11 -12.205  -3.777  -0.053
   92    HZ3  LYS  11          3HZ       LYS  11 -11.217  -5.035  -0.604
   93    H    LYS  12           H        LYS  12  -5.523  -3.166  -1.363
   94    HA   LYS  12           HA       LYS  12  -6.059  -5.204  -3.194
   95    HB2  LYS  12          2HB       LYS  12  -5.512  -2.920  -3.827
   96    HB3  LYS  12          1HB       LYS  12  -3.889  -3.118  -3.189
   97    HG2  LYS  12          2HG       LYS  12  -3.514  -4.894  -4.894
   98    HG3  LYS  12          1HG       LYS  12  -5.082  -4.482  -5.591
   99    HD2  LYS  12          2HD       LYS  12  -4.326  -2.195  -5.969
  100    HD3  LYS  12          1HD       LYS  12  -2.768  -2.578  -5.232
  101    HE2  LYS  12          2HE       LYS  12  -2.461  -4.313  -6.969
  102    HE3  LYS  12          1HE       LYS  12  -3.921  -3.720  -7.766
  103    HZ1  LYS  12          1HZ       LYS  12  -1.960  -2.779  -8.753
  104    HZ2  LYS  12          2HZ       LYS  12  -1.401  -2.234  -7.285
  105    HZ3  LYS  12          3HZ       LYS  12  -2.787  -1.531  -7.969
  106    H    TYR  13           H        TYR  13  -3.056  -4.536  -1.371
  107    HA   TYR  13           HA       TYR  13  -1.933  -6.963  -2.492
  108    HB2  TYR  13          2HB       TYR  13  -0.587  -4.779  -0.895
  109    HB3  TYR  13          1HB       TYR  13   0.210  -6.163  -1.626
  110    HD1  TYR  13          1HD       TYR  13   0.118  -6.358  -4.180
  111    HD2  TYR  13          2HD       TYR  13  -0.867  -2.817  -2.080
  112    HE1  TYR  13          1HE       TYR  13   0.464  -5.072  -6.224
  113    HE2  TYR  13          2HE       TYR  13  -0.522  -1.494  -4.125
  114    HH   TYR  13           HH       TYR  13   0.688  -1.691  -6.237
  115    H    THR  14           H        THR  14  -2.552  -8.639  -1.366
  116    HA   THR  14           HA       THR  14  -2.751  -8.607   1.489
  117    HB   THR  14           HB       THR  14  -3.030 -11.111   1.127
  118    HG1  THR  14          1HG       THR  14  -2.864 -11.907  -0.833
  119   HG21  THR  14          1HG2      THR  14  -4.783  -9.269  -0.501
  120   HG22  THR  14          2HG2      THR  14  -4.970  -9.631   1.214
  121   HG23  THR  14          3HG2      THR  14  -5.220 -10.895   0.017
  122    H    ASP  15           H        ASP  15  -0.459  -9.000  -0.898
  123    HA   ASP  15           HA       ASP  15   1.533 -10.553   0.404
  124    HB2  ASP  15          2HB       ASP  15   1.367 -10.221  -2.061
  125    HB3  ASP  15          1HB       ASP  15   1.786  -8.532  -1.828
  126    HA   PRO  16           HA       PRO  16   2.490  -7.196   3.225
  127    HB2  PRO  16          2HB       PRO  16   4.721  -8.331   4.346
  128    HB3  PRO  16          1HB       PRO  16   3.068  -8.736   4.816
  129    HG2  PRO  16          2HG       PRO  16   4.915 -10.187   2.962
  130    HG3  PRO  16          1HG       PRO  16   3.824 -10.845   4.194
  131    HD2  PRO  16          2HD       PRO  16   3.205 -10.871   1.583
  132    HD3  PRO  16          1HD       PRO  16   1.965 -10.643   2.833
  133    H    LYS  17           H        LYS  17   4.729  -8.504   0.894
  134    HA   LYS  17           HA       LYS  17   6.682  -6.449   1.348
  135    HB2  LYS  17          2HB       LYS  17   6.468  -8.524  -0.816
  136    HB3  LYS  17          1HB       LYS  17   7.885  -7.513  -0.521
  137    HG2  LYS  17          2HG       LYS  17   8.144  -8.521   1.671
  138    HG3  LYS  17          1HG       LYS  17   6.703  -9.495   1.407
  139    HD2  LYS  17          2HD       LYS  17   7.859 -10.521  -0.559
  140    HD3  LYS  17          1HD       LYS  17   9.318  -9.645  -0.082
  141    HE2  LYS  17          2HE       LYS  17   9.261 -10.723   2.101
  142    HE3  LYS  17          1HE       LYS  17   7.801 -11.586   1.643
  143    HZ1  LYS  17          1HZ       LYS  17  10.472 -11.891   0.390
  144    HZ2  LYS  17          2HZ       LYS  17   9.069 -12.699  -0.093
  145    HZ3  LYS  17          3HZ       LYS  17   9.712 -12.974   1.430
  146    H    LYS  18           H        LYS  18   4.229  -7.223  -1.072
  147    HA   LYS  18           HA       LYS  18   4.764  -4.817  -2.489
  148    HB2  LYS  18          2HB       LYS  18   2.485  -6.752  -2.683
  149    HB3  LYS  18          1HB       LYS  18   2.488  -5.240  -3.586
  150    HG2  LYS  18          2HG       LYS  18   4.735  -5.903  -4.455
  151    HG3  LYS  18          1HG       LYS  18   4.432  -7.498  -3.764
  152    HD2  LYS  18          2HD       LYS  18   2.651  -7.898  -5.229
  153    HD3  LYS  18          1HD       LYS  18   2.519  -6.190  -5.667
  154    HE2  LYS  18          2HE       LYS  18   4.846  -7.994  -6.302
  155    HE3  LYS  18          1HE       LYS  18   3.605  -7.484  -7.447
  156    HZ1  LYS  18          1HZ       LYS  18   5.612  -6.086  -7.650
  157    HZ2  LYS  18          2HZ       LYS  18   5.518  -5.664  -6.037
  158    HZ3  LYS  18          3HZ       LYS  18   4.306  -5.173  -7.093
  159    H    ARG  19           H        ARG  19   2.658  -5.623   0.101
  160    HA   ARG  19           HA       ARG  19   1.187  -3.247   0.334
  161    HB2  ARG  19          2HB       ARG  19   0.923  -5.280   1.772
  162    HB3  ARG  19          1HB       ARG  19   2.466  -4.922   2.521
  163    HG2  ARG  19          2HG       ARG  19   1.490  -2.803   3.384
  164    HG3  ARG  19          1HG       ARG  19  -0.074  -3.313   2.736
  165    HD2  ARG  19          2HD       ARG  19   0.061  -5.370   4.101
  166    HD3  ARG  19          1HD       ARG  19   1.582  -4.800   4.778
  167    HE   ARG  19           HE       ARG  19  -0.829  -3.178   5.093
  168   HH11  ARG  19          1HH1      ARG  19   1.702  -5.169   6.631
  169   HH12  ARG  19          2HH1      ARG  19   1.264  -4.753   8.202
  170   HH21  ARG  19          1HH2      ARG  19  -1.476  -2.672   7.266
  171   HH22  ARG  19          2HH2      ARG  19  -0.590  -3.278   8.590
  172    H    GLU  20           H        GLU  20   4.388  -4.187   1.468
  173    HA   GLU  20           HA       GLU  20   5.191  -1.757   2.612
  174    HB2  GLU  20          2HB       GLU  20   6.221  -3.979   3.016
  175    HB3  GLU  20          1HB       GLU  20   6.887  -3.929   1.396
  176    HG2  GLU  20          2HG       GLU  20   8.100  -1.886   2.018
  177    HG3  GLU  20          1HG       GLU  20   7.538  -2.105   3.678
  178    H    GLU  21           H        GLU  21   5.568  -3.050  -0.697
  179    HA   GLU  21           HA       GLU  21   7.194  -1.031  -1.753
  180    HB2  GLU  21          2HB       GLU  21   5.070  -2.662  -3.134
  181    HB3  GLU  21          1HB       GLU  21   6.103  -1.529  -3.977
  182    HG2  GLU  21          2HG       GLU  21   8.059  -2.857  -3.150
  183    HG3  GLU  21          1HG       GLU  21   6.902  -4.057  -2.569
  184    H    CYS  22           H        CYS  22   3.656  -1.226  -1.649
  185    HA   CYS  22           HA       CYS  22   3.386   1.303  -2.856
  186    HB2  CYS  22          2HB       CYS  22   1.536  -0.337  -2.914
  187    HB3  CYS  22          1HB       CYS  22   1.330  -0.141  -1.174
  188    H    LYS  23           H        LYS  23   3.686   0.253   0.475
  189    HA   LYS  23           HA       LYS  23   2.943   2.569   1.816
  190    HB2  LYS  23          2HB       LYS  23   3.451   0.488   2.982
  191    HB3  LYS  23          1HB       LYS  23   5.129   0.584   2.484
  192    HG2  LYS  23          2HG       LYS  23   4.903   1.202   4.814
  193    HG3  LYS  23          1HG       LYS  23   5.415   2.592   3.855
  194    HD2  LYS  23          2HD       LYS  23   3.073   3.379   3.803
  195    HD3  LYS  23          1HD       LYS  23   2.622   2.023   4.839
  196    HE2  LYS  23          2HE       LYS  23   2.906   4.048   6.155
  197    HE3  LYS  23          1HE       LYS  23   4.130   2.854   6.571
  198    HZ1  LYS  23          1HZ       LYS  23   5.738   4.049   5.258
  199    HZ2  LYS  23          2HZ       LYS  23   5.014   5.104   6.362
  200    HZ3  LYS  23          3HZ       LYS  23   4.551   5.144   4.740
  201    H    ARG  24           H        ARG  24   5.841   1.918   0.034
  202    HA   ARG  24           HA       ARG  24   7.253   4.292   0.921
  203    HB2  ARG  24          2HB       ARG  24   8.463   2.273   0.389
  204    HB3  ARG  24          1HB       ARG  24   7.815   2.265  -1.242
  205    HG2  ARG  24          2HG       ARG  24   9.061   4.338  -1.699
  206    HG3  ARG  24          1HG       ARG  24   9.728   4.271  -0.062
  207    HD2  ARG  24          2HD       ARG  24  10.727   2.112  -0.540
  208    HD3  ARG  24          1HD       ARG  24  10.035   2.129  -2.159
  209    HE   ARG  24           HE       ARG  24  11.696   4.379  -1.559
  210   HH11  ARG  24          1HH1      ARG  24  11.663   1.038  -2.741
  211   HH12  ARG  24          2HH1      ARG  24  13.084   1.193  -3.662
  212   HH21  ARG  24          1HH2      ARG  24  13.719   4.571  -2.805
  213   HH22  ARG  24          2HH2      ARG  24  14.280   3.232  -3.679
  214    H    LYS  25           H        LYS  25   5.116   3.364  -1.594
  215    HA   LYS  25           HA       LYS  25   5.874   5.464  -3.449
  216    HB2  LYS  25          2HB       LYS  25   5.296   3.272  -4.307
  217    HB3  LYS  25          1HB       LYS  25   3.757   3.321  -3.471
  218    HG2  LYS  25          2HG       LYS  25   3.063   5.186  -4.923
  219    HG3  LYS  25          1HG       LYS  25   4.594   5.039  -5.794
  220    HD2  LYS  25          2HD       LYS  25   4.056   2.785  -6.452
  221    HD3  LYS  25          1HD       LYS  25   2.585   2.810  -5.481
  222    HE2  LYS  25          2HE       LYS  25   3.168   4.540  -7.883
  223    HE3  LYS  25          1HE       LYS  25   2.100   3.142  -7.849
  224    HZ1  LYS  25          1HZ       LYS  25   0.700   4.319  -6.252
  225    HZ2  LYS  25          2HZ       LYS  25   0.847   5.158  -7.691
  226    HZ3  LYS  25          3HZ       LYS  25   1.707   5.676  -6.342
  227    H    ALA  26           H        ALA  26   3.280   4.604  -1.279
  228    HA   ALA  26           HA       ALA  26   1.596   6.731  -2.113
  229    HB1  ALA  26          1HB       ALA  26   0.670   4.579  -1.468
  230    HB2  ALA  26          2HB       ALA  26   0.044   5.880  -0.452
  231    HB3  ALA  26          3HB       ALA  26   1.289   4.799   0.168
  Start of MODEL   18
    1    H    HIS   1           H        HIS   1   1.440   8.504  -1.518
    2    HA   HIS   1           HA       HIS   1   2.665   8.909   1.108
    3    HB2  HIS   1          2HB       HIS   1   1.632  10.905  -0.932
    4    HB3  HIS   1          1HB       HIS   1   2.423  11.328   0.574
    5    HD1  HIS   1          1HD       HIS   1   4.856  11.817   0.329
    6    HD2  HIS   1          2HD       HIS   1   3.447   9.362  -2.709
    7    HE1  HIS   1          1HE       HIS   1   6.771  11.555  -1.290
    8    H    ASP   2           H        ASP   2  -0.319   9.131  -0.583
    9    HA   ASP   2           HA       ASP   2  -1.776  10.555   1.428
   10    HB2  ASP   2          2HB       ASP   2  -2.792   9.047  -1.003
   11    HB3  ASP   2          1HB       ASP   2  -3.745  10.126  -0.000
   12    HA   PRO   3           HA       PRO   3  -2.660   7.170   4.061
   13    HB2  PRO   3          2HB       PRO   3  -5.067   7.988   5.094
   14    HB3  PRO   3          1HB       PRO   3  -3.505   8.626   5.616
   15    HG2  PRO   3          2HG       PRO   3  -5.471   9.778   3.682
   16    HG3  PRO   3          1HG       PRO   3  -4.529  10.601   4.936
   17    HD2  PRO   3          2HD       PRO   3  -3.818  10.691   2.349
   18    HD3  PRO   3          1HD       PRO   3  -2.603  10.631   3.638
   19    H    GLU   4           H        GLU   4  -5.381   8.278   2.088
   20    HA   GLU   4           HA       GLU   4  -6.791   5.824   2.290
   21    HB2  GLU   4          2HB       GLU   4  -7.111   8.118   0.352
   22    HB3  GLU   4          1HB       GLU   4  -8.257   6.797   0.553
   23    HG2  GLU   4          2HG       GLU   4  -8.727   7.436   2.806
   24    HG3  GLU   4          1HG       GLU   4  -7.434   8.627   2.790
   25    H    LYS   5           H        LYS   5  -4.337   7.018   0.183
   26    HA   LYS   5           HA       LYS   5  -4.681   4.955  -1.795
   27    HB2  LYS   5          2HB       LYS   5  -2.470   6.935  -1.284
   28    HB3  LYS   5          1HB       LYS   5  -2.357   5.702  -2.525
   29    HG2  LYS   5          2HG       LYS   5  -4.500   7.810  -2.393
   30    HG3  LYS   5          1HG       LYS   5  -3.049   7.906  -3.393
   31    HD2  LYS   5          2HD       LYS   5  -3.758   5.754  -4.472
   32    HD3  LYS   5          1HD       LYS   5  -5.274   5.875  -3.582
   33    HE2  LYS   5          2HE       LYS   5  -5.587   6.733  -5.821
   34    HE3  LYS   5          1HE       LYS   5  -5.701   8.044  -4.655
   35    HZ1  LYS   5          1HZ       LYS   5  -4.389   8.567  -6.669
   36    HZ2  LYS   5          2HZ       LYS   5  -3.233   7.450  -6.196
   37    HZ3  LYS   5          3HZ       LYS   5  -3.533   8.802  -5.245
   38    H    ARG   6           H        ARG   6  -2.674   5.506   1.004
   39    HA   ARG   6           HA       ARG   6  -1.101   3.173   0.725
   40    HB2  ARG   6          2HB       ARG   6  -0.499   5.173   2.079
   41    HB3  ARG   6          1HB       ARG   6  -1.773   4.757   3.210
   42    HG2  ARG   6          2HG       ARG   6  -0.621   2.757   3.847
   43    HG3  ARG   6          1HG       ARG   6   0.587   3.012   2.589
   44    HD2  ARG   6          2HD       ARG   6   0.078   4.875   4.904
   45    HD3  ARG   6          1HD       ARG   6   1.404   3.715   4.800
   46    HE   ARG   6           HE       ARG   6   1.697   5.159   2.547
   47   HH11  ARG   6          1HH1      ARG   6   1.412   6.111   5.932
   48   HH12  ARG   6          2HH1      ARG   6   2.397   7.484   5.768
   49   HH21  ARG   6          1HH2      ARG   6   2.958   7.027   2.302
   50   HH22  ARG   6          2HH2      ARG   6   3.290   8.055   3.627
   51    H    LYS   7           H        LYS   7  -4.080   3.936   2.422
   52    HA   LYS   7           HA       LYS   7  -4.732   1.471   3.615
   53    HB2  LYS   7          2HB       LYS   7  -6.031   3.607   3.892
   54    HB3  LYS   7          1HB       LYS   7  -6.533   3.423   2.213
   55    HG2  LYS   7          2HG       LYS   7  -7.693   1.349   2.774
   56    HG3  LYS   7          1HG       LYS   7  -7.245   1.566   4.467
   57    HD2  LYS   7          2HD       LYS   7  -8.460   3.668   4.535
   58    HD3  LYS   7          1HD       LYS   7  -8.881   3.496   2.832
   59    HE2  LYS   7          2HE       LYS   7 -10.117   1.450   3.345
   60    HE3  LYS   7          1HE       LYS   7  -9.695   1.617   5.047
   61    HZ1  LYS   7          1HZ       LYS   7 -10.919   3.723   5.083
   62    HZ2  LYS   7          2HZ       LYS   7 -11.907   2.437   4.596
   63    HZ3  LYS   7          3HZ       LYS   7 -11.321   3.519   3.459
   64    H    GLU   8           H        GLU   8  -5.423   2.762   0.421
   65    HA   GLU   8           HA       GLU   8  -6.756   0.612  -0.592
   66    HB2  GLU   8          2HB       GLU   8  -6.676   2.803  -1.646
   67    HB3  GLU   8          1HB       GLU   8  -4.978   2.575  -2.022
   68    HG2  GLU   8          2HG       GLU   8  -5.563   0.721  -3.498
   69    HG3  GLU   8          1HG       GLU   8  -7.269   0.976  -3.127
   70    H    CYS   9           H        CYS   9  -3.272   1.302  -0.547
   71    HA   CYS   9           HA       CYS   9  -2.371  -0.924  -2.002
   72    HB2  CYS   9          2HB       CYS   9  -0.994   0.463   0.300
   73    HB3  CYS   9          1HB       CYS   9  -0.255  -0.676  -0.795
   74    H    GLU  10           H        GLU  10  -2.994  -0.538   1.466
   75    HA   GLU  10           HA       GLU  10  -2.095  -3.134   2.162
   76    HB2  GLU  10          2HB       GLU  10  -2.149  -1.287   3.767
   77    HB3  GLU  10          1HB       GLU  10  -3.896  -1.210   3.646
   78    HG2  GLU  10          2HG       GLU  10  -4.138  -3.309   4.735
   79    HG3  GLU  10          1HG       GLU  10  -2.411  -3.623   4.674
   80    H    LYS  11           H        LYS  11  -5.107  -1.874   1.097
   81    HA   LYS  11           HA       LYS  11  -6.581  -4.275   1.657
   82    HB2  LYS  11          2HB       LYS  11  -7.626  -2.025   1.558
   83    HB3  LYS  11          1HB       LYS  11  -7.274  -1.957  -0.156
   84    HG2  LYS  11          2HG       LYS  11  -9.578  -2.515   0.141
   85    HG3  LYS  11          1HG       LYS  11  -8.733  -3.931  -0.484
   86    HD2  LYS  11          2HD       LYS  11  -8.653  -4.894   1.756
   87    HD3  LYS  11          1HD       LYS  11  -9.436  -3.457   2.417
   88    HE2  LYS  11          2HE       LYS  11 -10.638  -5.373   0.411
   89    HE3  LYS  11          1HE       LYS  11 -11.026  -5.289   2.125
   90    HZ1  LYS  11          1HZ       LYS  11 -12.660  -4.145   0.765
   91    HZ2  LYS  11          2HZ       LYS  11 -11.482  -3.102   0.163
   92    HZ3  LYS  11          3HZ       LYS  11 -11.884  -3.073   1.797
   93    H    LYS  12           H        LYS  12  -4.967  -2.835  -1.117
   94    HA   LYS  12           HA       LYS  12  -5.883  -4.599  -3.139
   95    HB2  LYS  12          2HB       LYS  12  -4.900  -2.280  -3.463
   96    HB3  LYS  12          1HB       LYS  12  -3.337  -2.973  -3.109
   97    HG2  LYS  12          2HG       LYS  12  -3.480  -2.804  -5.464
   98    HG3  LYS  12          1HG       LYS  12  -3.660  -4.511  -5.070
   99    HD2  LYS  12          2HD       LYS  12  -5.269  -3.955  -6.760
  100    HD3  LYS  12          1HD       LYS  12  -6.143  -4.219  -5.252
  101    HE2  LYS  12          2HE       LYS  12  -6.211  -1.742  -4.918
  102    HE3  LYS  12          1HE       LYS  12  -5.402  -1.549  -6.465
  103    HZ1  LYS  12          1HZ       LYS  12  -7.310  -2.592  -7.548
  104    HZ2  LYS  12          2HZ       LYS  12  -7.790  -1.248  -6.655
  105    HZ3  LYS  12          3HZ       LYS  12  -8.075  -2.785  -6.063
  106    H    TYR  13           H        TYR  13  -2.906  -4.440  -1.227
  107    HA   TYR  13           HA       TYR  13  -2.095  -6.972  -2.416
  108    HB2  TYR  13          2HB       TYR  13  -0.451  -4.897  -0.982
  109    HB3  TYR  13          1HB       TYR  13   0.165  -6.425  -1.594
  110    HD1  TYR  13          1HD       TYR  13   0.133  -6.834  -4.068
  111    HD2  TYR  13          2HD       TYR  13  -0.683  -3.026  -2.385
  112    HE1  TYR  13          1HE       TYR  13   0.591  -5.800  -6.230
  113    HE2  TYR  13          2HE       TYR  13  -0.226  -1.966  -4.541
  114    HH   TYR  13           HH       TYR  13   0.103  -3.809  -7.425
  115    H    THR  14           H        THR  14  -2.267  -8.709  -1.256
  116    HA   THR  14           HA       THR  14  -2.472  -8.507   1.616
  117    HB   THR  14           HB       THR  14  -2.905 -11.025   1.335
  118    HG1  THR  14          1HG       THR  14  -3.740 -11.399  -0.882
  119   HG21  THR  14          1HG2      THR  14  -4.792  -9.031   0.071
  120   HG22  THR  14          2HG2      THR  14  -4.677  -9.390   1.794
  121   HG23  THR  14          3HG2      THR  14  -5.236 -10.628   0.670
  122    H    ASP  15           H        ASP  15  -0.312  -9.249  -0.919
  123    HA   ASP  15           HA       ASP  15   1.574 -10.750   0.605
  124    HB2  ASP  15          2HB       ASP  15   1.632 -10.888  -1.841
  125    HB3  ASP  15          1HB       ASP  15   1.897  -9.150  -1.951
  126    HA   PRO  16           HA       PRO  16   2.587  -7.158   2.994
  127    HB2  PRO  16          2HB       PRO  16   4.740  -8.274   4.314
  128    HB3  PRO  16          1HB       PRO  16   3.055  -8.435   4.805
  129    HG2  PRO  16          2HG       PRO  16   4.775 -10.348   3.296
  130    HG3  PRO  16          1HG       PRO  16   3.537 -10.673   4.519
  131    HD2  PRO  16          2HD       PRO  16   3.114 -11.025   1.884
  132    HD3  PRO  16          1HD       PRO  16   1.821 -10.537   2.992
  133    H    LYS  17           H        LYS  17   4.851  -8.734   0.852
  134    HA   LYS  17           HA       LYS  17   6.873  -6.721   1.199
  135    HB2  LYS  17          2HB       LYS  17   6.543  -8.878  -0.876
  136    HB3  LYS  17          1HB       LYS  17   7.959  -7.835  -0.752
  137    HG2  LYS  17          2HG       LYS  17   8.455  -8.726   1.433
  138    HG3  LYS  17          1HG       LYS  17   6.973  -9.682   1.399
  139    HD2  LYS  17          2HD       LYS  17   7.825 -10.945  -0.505
  140    HD3  LYS  17          1HD       LYS  17   9.303  -9.978  -0.490
  141    HE2  LYS  17          2HE       LYS  17   9.599 -12.159   0.621
  142    HE3  LYS  17          1HE       LYS  17   9.860 -10.805   1.717
  143    HZ1  LYS  17          1HZ       LYS  17   7.357 -12.385   1.517
  144    HZ2  LYS  17          2HZ       LYS  17   7.651 -11.140   2.616
  145    HZ3  LYS  17          3HZ       LYS  17   8.526 -12.578   2.716
  146    H    LYS  18           H        LYS  18   4.586  -7.560  -1.369
  147    HA   LYS  18           HA       LYS  18   5.062  -5.307  -3.023
  148    HB2  LYS  18          2HB       LYS  18   2.524  -6.908  -2.655
  149    HB3  LYS  18          1HB       LYS  18   2.817  -5.777  -3.961
  150    HG2  LYS  18          2HG       LYS  18   4.555  -7.187  -4.851
  151    HG3  LYS  18          1HG       LYS  18   4.421  -8.257  -3.449
  152    HD2  LYS  18          2HD       LYS  18   2.106  -8.779  -4.072
  153    HD3  LYS  18          1HD       LYS  18   2.257  -7.729  -5.478
  154    HE2  LYS  18          2HE       LYS  18   3.964 -10.165  -4.972
  155    HE3  LYS  18          1HE       LYS  18   2.524 -10.151  -5.986
  156    HZ1  LYS  18          1HZ       LYS  18   4.501  -9.922  -7.314
  157    HZ2  LYS  18          2HZ       LYS  18   4.994  -8.560  -6.465
  158    HZ3  LYS  18          3HZ       LYS  18   3.605  -8.510  -7.402
  159    H    ARG  19           H        ARG  19   2.914  -5.922  -0.350
  160    HA   ARG  19           HA       ARG  19   1.396  -3.559  -0.335
  161    HB2  ARG  19          2HB       ARG  19   0.956  -5.636   0.993
  162    HB3  ARG  19          1HB       ARG  19   2.294  -5.186   2.037
  163    HG2  ARG  19          2HG       ARG  19   1.136  -3.148   2.651
  164    HG3  ARG  19          1HG       ARG  19  -0.209  -3.599   1.601
  165    HD2  ARG  19          2HD       ARG  19  -0.784  -4.203   3.844
  166    HD3  ARG  19          1HD       ARG  19  -0.460  -5.681   2.936
  167    HE   ARG  19           HE       ARG  19   1.888  -4.857   4.232
  168   HH11  ARG  19          1HH1      ARG  19  -1.273  -6.297   5.035
  169   HH12  ARG  19          2HH1      ARG  19  -0.708  -6.985   6.488
  170   HH21  ARG  19          1HH2      ARG  19   2.604  -5.804   6.228
  171   HH22  ARG  19          2HH2      ARG  19   1.527  -6.722   7.164
  172    H    GLU  20           H        GLU  20   4.418  -4.403   1.350
  173    HA   GLU  20           HA       GLU  20   4.909  -2.012   2.678
  174    HB2  GLU  20          2HB       GLU  20   6.148  -4.078   3.084
  175    HB3  GLU  20          1HB       GLU  20   6.816  -4.025   1.469
  176    HG2  GLU  20          2HG       GLU  20   8.470  -3.383   3.104
  177    HG3  GLU  20          1HG       GLU  20   8.081  -2.024   2.055
  178    H    GLU  21           H        GLU  21   5.897  -3.067  -0.556
  179    HA   GLU  21           HA       GLU  21   7.334  -0.788  -1.335
  180    HB2  GLU  21          2HB       GLU  21   5.647  -2.609  -3.013
  181    HB3  GLU  21          1HB       GLU  21   6.790  -1.441  -3.646
  182    HG2  GLU  21          2HG       GLU  21   8.607  -2.691  -2.545
  183    HG3  GLU  21          1HG       GLU  21   7.413  -3.850  -1.947
  184    H    CYS  22           H        CYS  22   3.903  -1.530  -1.634
  185    HA   CYS  22           HA       CYS  22   3.413   0.856  -3.061
  186    HB2  CYS  22          2HB       CYS  22   2.039  -1.228  -3.233
  187    HB3  CYS  22          1HB       CYS  22   1.388  -0.886  -1.644
  188    H    LYS  23           H        LYS  23   3.226  -0.114   0.337
  189    HA   LYS  23           HA       LYS  23   1.931   2.140   1.401
  190    HB2  LYS  23          2HB       LYS  23   3.870   0.172   2.589
  191    HB3  LYS  23          1HB       LYS  23   3.320   1.552   3.516
  192    HG2  LYS  23          2HG       LYS  23   1.045   0.753   3.450
  193    HG3  LYS  23          1HG       LYS  23   1.499  -0.553   2.345
  194    HD2  LYS  23          2HD       LYS  23   2.868  -1.589   4.018
  195    HD3  LYS  23          1HD       LYS  23   2.691  -0.217   5.101
  196    HE2  LYS  23          2HE       LYS  23   0.374  -1.930   4.210
  197    HE3  LYS  23          1HE       LYS  23   1.312  -2.286   5.651
  198    HZ1  LYS  23          1HZ       LYS  23   0.649  -0.109   6.533
  199    HZ2  LYS  23          2HZ       LYS  23  -0.674  -1.078   6.212
  200    HZ3  LYS  23          3HZ       LYS  23  -0.299   0.191   5.181
  201    H    ARG  24           H        ARG  24   5.281   1.560   0.607
  202    HA   ARG  24           HA       ARG  24   6.089   4.138   1.650
  203    HB2  ARG  24          2HB       ARG  24   8.360   3.503   0.990
  204    HB3  ARG  24          1HB       ARG  24   7.583   2.204   1.882
  205    HG2  ARG  24          2HG       ARG  24   7.143   1.033  -0.196
  206    HG3  ARG  24          1HG       ARG  24   7.952   2.323  -1.087
  207    HD2  ARG  24          2HD       ARG  24   9.233   0.646   1.062
  208    HD3  ARG  24          1HD       ARG  24   9.401   0.355  -0.667
  209    HE   ARG  24           HE       ARG  24  10.172   2.924  -0.392
  210   HH11  ARG  24          1HH1      ARG  24  11.132   0.051   1.391
  211   HH12  ARG  24          2HH1      ARG  24  12.768   0.470   1.521
  212   HH21  ARG  24          1HH2      ARG  24  12.420   3.542  -0.238
  213   HH22  ARG  24          2HH2      ARG  24  13.536   2.541   0.561
  214    H    LYS  25           H        LYS  25   4.556   3.190  -1.073
  215    HA   LYS  25           HA       LYS  25   5.893   5.140  -2.770
  216    HB2  LYS  25          2HB       LYS  25   5.477   3.010  -3.872
  217    HB3  LYS  25          1HB       LYS  25   3.784   3.059  -3.404
  218    HG2  LYS  25          2HG       LYS  25   4.058   3.607  -5.762
  219    HG3  LYS  25          1HG       LYS  25   3.420   4.983  -4.865
  220    HD2  LYS  25          2HD       LYS  25   5.764   5.871  -4.737
  221    HD3  LYS  25          1HD       LYS  25   6.251   4.570  -5.825
  222    HE2  LYS  25          2HE       LYS  25   4.196   6.690  -6.403
  223    HE3  LYS  25          1HE       LYS  25   5.845   6.680  -7.017
  224    HZ1  LYS  25          1HZ       LYS  25   4.277   5.878  -8.633
  225    HZ2  LYS  25          2HZ       LYS  25   3.762   4.647  -7.616
  226    HZ3  LYS  25          3HZ       LYS  25   5.349   4.653  -8.209
  227    H    ALA  26           H        ALA  26   2.724   4.267  -1.529
  228    HA   ALA  26           HA       ALA  26   1.477   6.646  -2.455
  229    HB1  ALA  26          1HB       ALA  26   0.233   4.566  -2.177
  230    HB2  ALA  26          2HB       ALA  26  -0.446   5.850  -1.175
  231    HB3  ALA  26          3HB       ALA  26   0.558   4.599  -0.445
  Start of MODEL   19
    1    H    HIS   1           H        HIS   1   0.680   7.890  -2.563
    2    HA   HIS   1           HA       HIS   1   2.328   9.436  -0.663
    3    HB2  HIS   1          2HB       HIS   1   1.060  10.361  -3.249
    4    HB3  HIS   1          1HB       HIS   1   1.757  11.455  -2.069
    5    HD1  HIS   1          1HD       HIS   1   3.923  12.261  -3.051
    6    HD2  HIS   1          2HD       HIS   1   3.312   8.209  -3.719
    7    HE1  HIS   1          1HE       HIS   1   5.961  11.436  -4.280
    8    H    ASP   2           H        ASP   2  -0.711   8.245  -1.263
    9    HA   ASP   2           HA       ASP   2  -2.157  10.436  -0.037
   10    HB2  ASP   2          2HB       ASP   2  -3.107   7.682  -0.884
   11    HB3  ASP   2          1HB       ASP   2  -4.142   8.920  -0.213
   12    HA   PRO   3           HA       PRO   3  -1.955   8.691   4.121
   13    HB2  PRO   3          2HB       PRO   3  -4.692   9.670   4.577
   14    HB3  PRO   3          1HB       PRO   3  -3.196  10.171   5.365
   15    HG2  PRO   3          2HG       PRO   3  -4.517  11.763   3.647
   16    HG3  PRO   3          1HG       PRO   3  -2.752  11.788   3.787
   17    HD2  PRO   3          2HD       PRO   3  -4.476  10.499   1.702
   18    HD3  PRO   3          1HD       PRO   3  -2.938  11.376   1.525
   19    H    GLU   4           H        GLU   4  -4.438   8.161   1.893
   20    HA   GLU   4           HA       GLU   4  -5.876   6.110   3.240
   21    HB2  GLU   4          2HB       GLU   4  -5.879   6.939   0.338
   22    HB3  GLU   4          1HB       GLU   4  -7.042   5.846   1.081
   23    HG2  GLU   4          2HG       GLU   4  -7.754   7.641   2.590
   24    HG3  GLU   4          1HG       GLU   4  -6.611   8.733   1.815
   25    H    LYS   5           H        LYS   5  -2.877   6.118   2.110
   26    HA   LYS   5           HA       LYS   5  -2.489   3.935   0.460
   27    HB2  LYS   5          2HB       LYS   5  -0.145   3.960   1.156
   28    HB3  LYS   5          1HB       LYS   5  -0.759   5.574   1.005
   29    HG2  LYS   5          2HG       LYS   5  -0.824   5.962   3.309
   30    HG3  LYS   5          1HG       LYS   5  -0.669   4.250   3.691
   31    HD2  LYS   5          2HD       LYS   5   1.421   5.415   4.134
   32    HD3  LYS   5          1HD       LYS   5   1.631   4.269   2.818
   33    HE2  LYS   5          2HE       LYS   5   2.797   6.324   2.304
   34    HE3  LYS   5          1HE       LYS   5   1.431   6.151   1.210
   35    HZ1  LYS   5          1HZ       LYS   5   0.204   7.756   2.519
   36    HZ2  LYS   5          2HZ       LYS   5   1.704   8.427   2.127
   37    HZ3  LYS   5          3HZ       LYS   5   1.442   7.838   3.651
   38    H    ARG   6           H        ARG   6  -3.152   3.966   3.891
   39    HA   ARG   6           HA       ARG   6  -2.285   1.356   4.526
   40    HB2  ARG   6          2HB       ARG   6  -4.553   2.994   5.681
   41    HB3  ARG   6          1HB       ARG   6  -3.998   1.477   6.356
   42    HG2  ARG   6          2HG       ARG   6  -2.244   3.890   6.030
   43    HG3  ARG   6          1HG       ARG   6  -3.163   3.540   7.493
   44    HD2  ARG   6          2HD       ARG   6  -1.988   1.381   7.673
   45    HD3  ARG   6          1HD       ARG   6  -1.043   1.795   6.245
   46    HE   ARG   6           HE       ARG   6  -0.557   3.874   7.819
   47   HH11  ARG   6          1HH1      ARG   6  -0.446   0.394   8.520
   48   HH12  ARG   6          2HH1      ARG   6   0.798   0.555   9.678
   49   HH21  ARG   6          1HH2      ARG   6   1.153   4.030   9.453
   50   HH22  ARG   6          2HH2      ARG   6   1.705   2.595  10.199
   51    H    LYS   7           H        LYS   7  -5.515   2.553   3.796
   52    HA   LYS   7           HA       LYS   7  -6.773   0.057   3.582
   53    HB2  LYS   7          2HB       LYS   7  -7.929   2.244   3.991
   54    HB3  LYS   7          1HB       LYS   7  -7.531   2.683   2.331
   55    HG2  LYS   7          2HG       LYS   7  -9.792   2.012   2.365
   56    HG3  LYS   7          1HG       LYS   7  -8.869   0.735   1.572
   57    HD2  LYS   7          2HD       LYS   7  -8.852  -0.498   3.745
   58    HD3  LYS   7          1HD       LYS   7  -9.904   0.752   4.400
   59    HE2  LYS   7          2HE       LYS   7 -10.531  -1.039   2.058
   60    HE3  LYS   7          1HE       LYS   7 -11.205  -1.176   3.677
   61    HZ1  LYS   7          1HZ       LYS   7 -12.218   1.029   3.361
   62    HZ2  LYS   7          2HZ       LYS   7 -12.752  -0.089   2.252
   63    HZ3  LYS   7          3HZ       LYS   7 -11.638   1.076   1.771
   64    H    GLU   8           H        GLU   8  -5.786   2.339   1.080
   65    HA   GLU   8           HA       GLU   8  -6.628   0.619  -0.929
   66    HB2  GLU   8          2HB       GLU   8  -5.123   3.175  -0.974
   67    HB3  GLU   8          1HB       GLU   8  -5.346   2.241  -2.452
   68    HG2  GLU   8          2HG       GLU   8  -7.560   3.171  -0.644
   69    HG3  GLU   8          1HG       GLU   8  -7.087   3.945  -2.160
   70    H    CYS   9           H        CYS   9  -3.493   0.881   0.594
   71    HA   CYS   9           HA       CYS   9  -2.426  -0.692  -1.560
   72    HB2  CYS   9          2HB       CYS   9  -1.111   0.212   0.989
   73    HB3  CYS   9          1HB       CYS   9  -0.318  -0.869  -0.159
   74    H    GLU  10           H        GLU  10  -3.795  -1.287   1.614
   75    HA   GLU  10           HA       GLU  10  -3.100  -4.043   1.599
   76    HB2  GLU  10          2HB       GLU  10  -3.862  -2.896   3.608
   77    HB3  GLU  10          1HB       GLU  10  -5.415  -2.570   2.867
   78    HG2  GLU  10          2HG       GLU  10  -5.890  -4.970   2.832
   79    HG3  GLU  10          1HG       GLU  10  -4.321  -5.282   3.576
   80    H    LYS  11           H        LYS  11  -5.683  -2.160   0.221
   81    HA   LYS  11           HA       LYS  11  -7.395  -4.167  -0.781
   82    HB2  LYS  11          2HB       LYS  11  -6.748  -1.408  -1.826
   83    HB3  LYS  11          1HB       LYS  11  -7.999  -2.421  -2.515
   84    HG2  LYS  11          2HG       LYS  11  -8.031  -1.733   0.396
   85    HG3  LYS  11          1HG       LYS  11  -8.624  -0.588  -0.800
   86    HD2  LYS  11          2HD       LYS  11  -9.612  -3.429  -0.622
   87    HD3  LYS  11          1HD       LYS  11 -10.368  -2.091   0.247
   88    HE2  LYS  11          2HE       LYS  11 -10.020  -2.271  -2.756
   89    HE3  LYS  11          1HE       LYS  11 -11.515  -2.538  -1.867
   90    HZ1  LYS  11          1HZ       LYS  11 -10.023   0.065  -1.930
   91    HZ2  LYS  11          2HZ       LYS  11 -11.468  -0.246  -1.127
   92    HZ3  LYS  11          3HZ       LYS  11 -11.418  -0.311  -2.793
   93    H    LYS  12           H        LYS  12  -4.655  -2.507  -2.279
   94    HA   LYS  12           HA       LYS  12  -4.821  -4.090  -4.661
   95    HB2  LYS  12          2HB       LYS  12  -4.090  -1.737  -4.700
   96    HB3  LYS  12          1HB       LYS  12  -2.694  -2.151  -3.729
   97    HG2  LYS  12          2HG       LYS  12  -2.095  -1.837  -6.070
   98    HG3  LYS  12          1HG       LYS  12  -1.804  -3.499  -5.562
   99    HD2  LYS  12          2HD       LYS  12  -3.819  -4.228  -6.648
  100    HD3  LYS  12          1HD       LYS  12  -4.258  -2.566  -7.046
  101    HE2  LYS  12          2HE       LYS  12  -3.327  -3.732  -8.990
  102    HE3  LYS  12          1HE       LYS  12  -2.300  -2.390  -8.501
  103    HZ1  LYS  12          1HZ       LYS  12  -1.065  -4.392  -9.077
  104    HZ2  LYS  12          2HZ       LYS  12  -1.781  -5.259  -7.844
  105    HZ3  LYS  12          3HZ       LYS  12  -0.761  -3.941  -7.498
  106    H    TYR  13           H        TYR  13  -2.746  -4.092  -1.752
  107    HA   TYR  13           HA       TYR  13  -1.663  -6.646  -2.660
  108    HB2  TYR  13          2HB       TYR  13  -0.069  -4.470  -1.316
  109    HB3  TYR  13          1HB       TYR  13   0.521  -6.054  -1.788
  110    HD1  TYR  13          1HD       TYR  13   0.141  -2.691  -2.731
  111    HD2  TYR  13          2HD       TYR  13   0.395  -6.612  -4.323
  112    HE1  TYR  13          1HE       TYR  13   0.747  -1.758  -4.898
  113    HE2  TYR  13          2HE       TYR  13   1.017  -5.698  -6.503
  114    HH   TYR  13           HH       TYR  13   1.900  -2.468  -6.930
  115    H    THR  14           H        THR  14  -2.556  -8.006  -1.264
  116    HA   THR  14           HA       THR  14  -2.777  -7.355   1.540
  117    HB   THR  14           HB       THR  14  -3.135 -10.051   0.197
  118    HG1  THR  14          1HG       THR  14  -4.489  -7.698  -0.053
  119   HG21  THR  14          1HG2      THR  14  -4.428  -8.770   2.619
  120   HG22  THR  14          2HG2      THR  14  -3.159  -9.994   2.673
  121   HG23  THR  14          3HG2      THR  14  -4.745 -10.396   2.011
  122    H    ASP  15           H        ASP  15  -0.618  -8.616  -0.649
  123    HA   ASP  15           HA       ASP  15   1.166 -10.270   0.765
  124    HB2  ASP  15          2HB       ASP  15   0.978  -9.898  -1.667
  125    HB3  ASP  15          1HB       ASP  15   1.655  -8.296  -1.451
  126    HA   PRO  16           HA       PRO  16   2.543  -6.971   3.538
  127    HB2  PRO  16          2HB       PRO  16   4.725  -8.254   4.588
  128    HB3  PRO  16          1HB       PRO  16   3.067  -8.550   5.111
  129    HG2  PRO  16          2HG       PRO  16   4.734 -10.095   3.164
  130    HG3  PRO  16          1HG       PRO  16   3.697 -10.698   4.469
  131    HD2  PRO  16          2HD       PRO  16   2.878 -10.712   1.924
  132    HD3  PRO  16          1HD       PRO  16   1.746 -10.340   3.245
  133    H    LYS  17           H        LYS  17   4.750  -8.542   1.308
  134    HA   LYS  17           HA       LYS  17   6.865  -6.634   1.611
  135    HB2  LYS  17          2HB       LYS  17   6.316  -8.784  -0.420
  136    HB3  LYS  17          1HB       LYS  17   7.781  -7.814  -0.392
  137    HG2  LYS  17          2HG       LYS  17   8.496  -8.756   1.644
  138    HG3  LYS  17          1HG       LYS  17   6.904  -9.445   1.969
  139    HD2  LYS  17          2HD       LYS  17   8.566 -11.118   1.247
  140    HD3  LYS  17          1HD       LYS  17   7.176 -11.033   0.176
  141    HE2  LYS  17          2HE       LYS  17   8.532  -9.605  -1.356
  142    HE3  LYS  17          1HE       LYS  17   9.916  -9.843  -0.287
  143    HZ1  LYS  17          1HZ       LYS  17   8.432 -11.994  -1.680
  144    HZ2  LYS  17          2HZ       LYS  17   9.791 -12.206  -0.704
  145    HZ3  LYS  17          3HZ       LYS  17   9.932 -11.388  -2.158
  146    H    LYS  18           H        LYS  18   4.493  -7.391  -0.879
  147    HA   LYS  18           HA       LYS  18   5.148  -5.204  -2.566
  148    HB2  LYS  18          2HB       LYS  18   2.584  -6.779  -2.369
  149    HB3  LYS  18          1HB       LYS  18   2.997  -5.686  -3.671
  150    HG2  LYS  18          2HG       LYS  18   4.805  -7.126  -4.370
  151    HG3  LYS  18          1HG       LYS  18   4.528  -8.191  -2.986
  152    HD2  LYS  18          2HD       LYS  18   2.259  -8.652  -3.817
  153    HD3  LYS  18          1HD       LYS  18   2.570  -7.625  -5.213
  154    HE2  LYS  18          2HE       LYS  18   2.810  -9.999  -5.747
  155    HE3  LYS  18          1HE       LYS  18   4.329  -9.132  -5.953
  156    HZ1  LYS  18          1HZ       LYS  18   5.157 -10.065  -3.945
  157    HZ2  LYS  18          2HZ       LYS  18   4.491 -11.348  -4.811
  158    HZ3  LYS  18          3HZ       LYS  18   3.674 -10.707  -3.500
  159    H    ARG  19           H        ARG  19   2.860  -5.638   0.072
  160    HA   ARG  19           HA       ARG  19   1.487  -3.196  -0.228
  161    HB2  ARG  19          2HB       ARG  19   0.690  -5.051   1.206
  162    HB3  ARG  19          1HB       ARG  19   2.020  -4.746   2.311
  163    HG2  ARG  19          2HG       ARG  19   1.127  -2.523   2.769
  164    HG3  ARG  19          1HG       ARG  19  -0.213  -2.842   1.665
  165    HD2  ARG  19          2HD       ARG  19  -0.891  -4.737   3.056
  166    HD3  ARG  19          1HD       ARG  19   0.426  -4.380   4.175
  167    HE   ARG  19           HE       ARG  19  -1.068  -2.084   3.816
  168   HH11  ARG  19          1HH1      ARG  19  -1.430  -5.265   5.306
  169   HH12  ARG  19          2HH1      ARG  19  -2.620  -4.756   6.427
  170   HH21  ARG  19          1HH2      ARG  19  -2.711  -1.414   5.303
  171   HH22  ARG  19          2HH2      ARG  19  -3.356  -2.523   6.424
  172    H    GLU  20           H        GLU  20   4.388  -4.119   1.552
  173    HA   GLU  20           HA       GLU  20   4.863  -1.619   2.733
  174    HB2  GLU  20          2HB       GLU  20   5.887  -3.723   3.459
  175    HB3  GLU  20          1HB       GLU  20   6.792  -3.797   1.961
  176    HG2  GLU  20          2HG       GLU  20   8.008  -1.795   2.577
  177    HG3  GLU  20          1HG       GLU  20   7.069  -1.676   4.068
  178    H    GLU  21           H        GLU  21   5.791  -2.996  -0.392
  179    HA   GLU  21           HA       GLU  21   7.396  -0.849  -1.275
  180    HB2  GLU  21          2HB       GLU  21   5.615  -2.691  -2.830
  181    HB3  GLU  21          1HB       GLU  21   6.721  -1.551  -3.566
  182    HG2  GLU  21          2HG       GLU  21   8.572  -2.771  -2.371
  183    HG3  GLU  21          1HG       GLU  21   7.367  -3.973  -1.898
  184    H    CYS  22           H        CYS  22   3.968  -1.548  -1.661
  185    HA   CYS  22           HA       CYS  22   3.292   0.708  -3.100
  186    HB2  CYS  22          2HB       CYS  22   1.823  -1.270  -2.809
  187    HB3  CYS  22          1HB       CYS  22   1.535  -0.792  -1.144
  188    H    LYS  23           H        LYS  23   3.361   0.114   0.369
  189    HA   LYS  23           HA       LYS  23   2.396   2.385   1.546
  190    HB2  LYS  23          2HB       LYS  23   3.115   0.485   2.803
  191    HB3  LYS  23          1HB       LYS  23   4.748   0.623   2.193
  192    HG2  LYS  23          2HG       LYS  23   5.009   2.709   3.490
  193    HG3  LYS  23          1HG       LYS  23   3.389   2.453   4.154
  194    HD2  LYS  23          2HD       LYS  23   4.086   0.323   5.106
  195    HD3  LYS  23          1HD       LYS  23   5.681   0.498   4.382
  196    HE2  LYS  23          2HE       LYS  23   6.075   2.489   5.754
  197    HE3  LYS  23          1HE       LYS  23   4.484   2.301   6.486
  198    HZ1  LYS  23          1HZ       LYS  23   5.189   0.157   7.357
  199    HZ2  LYS  23          2HZ       LYS  23   6.225   1.356   7.901
  200    HZ3  LYS  23          3HZ       LYS  23   6.702   0.335   6.651
  201    H    ARG  24           H        ARG  24   5.509   1.893   0.040
  202    HA   ARG  24           HA       ARG  24   6.502   4.520   0.790
  203    HB2  ARG  24          2HB       ARG  24   7.746   2.304  -0.825
  204    HB3  ARG  24          1HB       ARG  24   8.560   3.765  -0.287
  205    HG2  ARG  24          2HG       ARG  24   8.307   3.104   2.024
  206    HG3  ARG  24          1HG       ARG  24   7.372   1.689   1.539
  207    HD2  ARG  24          2HD       ARG  24   9.678   1.083   2.037
  208    HD3  ARG  24          1HD       ARG  24   9.307   0.823   0.334
  209    HE   ARG  24           HE       ARG  24  10.372   3.388   0.685
  210   HH11  ARG  24          1HH1      ARG  24  11.372  -0.008   0.534
  211   HH12  ARG  24          2HH1      ARG  24  13.011   0.337   0.246
  212   HH21  ARG  24          1HH2      ARG  24  12.587   3.858   0.206
  213   HH22  ARG  24          2HH2      ARG  24  13.733   2.606   0.028
  214    H    LYS  25           H        LYS  25   4.882   3.051  -1.810
  215    HA   LYS  25           HA       LYS  25   5.905   4.918  -3.819
  216    HB2  LYS  25          2HB       LYS  25   5.720   2.455  -4.289
  217    HB3  LYS  25          1HB       LYS  25   3.992   2.585  -4.072
  218    HG2  LYS  25          2HG       LYS  25   4.523   2.500  -6.424
  219    HG3  LYS  25          1HG       LYS  25   3.858   4.076  -6.007
  220    HD2  LYS  25          2HD       LYS  25   5.740   4.291  -7.542
  221    HD3  LYS  25          1HD       LYS  25   6.122   5.031  -5.987
  222    HE2  LYS  25          2HE       LYS  25   8.027   3.791  -6.820
  223    HE3  LYS  25          1HE       LYS  25   7.387   2.990  -5.392
  224    HZ1  LYS  25          1HZ       LYS  25   6.943   2.170  -8.215
  225    HZ2  LYS  25          2HZ       LYS  25   6.239   1.412  -6.898
  226    HZ3  LYS  25          3HZ       LYS  25   7.917   1.392  -7.086
  227    H    ALA  26           H        ALA  26   3.368   4.465  -1.677
  228    HA   ALA  26           HA       ALA  26   1.403   5.971  -3.148
  229    HB1  ALA  26          1HB       ALA  26   1.348   4.708  -0.422
  230    HB2  ALA  26          2HB       ALA  26   0.679   4.028  -1.906
  231    HB3  ALA  26          3HB       ALA  26  -0.025   5.484  -1.201
  Start of MODEL   20
    1    H    HIS   1           H        HIS   1   1.126   8.421  -2.557
    2    HA   HIS   1           HA       HIS   1   2.622   9.289  -0.186
    3    HB2  HIS   1          2HB       HIS   1   1.919  10.869  -2.649
    4    HB3  HIS   1          1HB       HIS   1   2.367  11.644  -1.135
    5    HD1  HIS   1          1HD       HIS   1   4.804  12.108  -0.896
    6    HD2  HIS   1          2HD       HIS   1   4.061   9.018  -3.572
    7    HE1  HIS   1          1HE       HIS   1   7.035  11.487  -1.869
    8    H    ASP   2           H        ASP   2  -0.429   8.764  -1.470
    9    HA   ASP   2           HA       ASP   2  -1.767  10.708   0.190
   10    HB2  ASP   2          2HB       ASP   2  -2.825   8.420  -1.491
   11    HB3  ASP   2          1HB       ASP   2  -3.856   9.436  -0.499
   12    HA   PRO   3           HA       PRO   3  -1.729   8.171   3.811
   13    HB2  PRO   3          2HB       PRO   3  -3.993   9.114   5.043
   14    HB3  PRO   3          1HB       PRO   3  -2.456   9.985   5.035
   15    HG2  PRO   3          2HG       PRO   3  -4.845  10.359   3.269
   16    HG3  PRO   3          1HG       PRO   3  -3.842  11.586   4.063
   17    HD2  PRO   3          2HD       PRO   3  -3.539  11.011   1.474
   18    HD3  PRO   3          1HD       PRO   3  -2.142  11.390   2.505
   19    H    GLU   4           H        GLU   4  -4.169   8.166   1.518
   20    HA   GLU   4           HA       GLU   4  -5.985   6.222   2.512
   21    HB2  GLU   4          2HB       GLU   4  -5.315   7.039  -0.312
   22    HB3  GLU   4          1HB       GLU   4  -6.734   6.124   0.175
   23    HG2  GLU   4          2HG       GLU   4  -7.580   8.022   1.395
   24    HG3  GLU   4          1HG       GLU   4  -6.102   8.928   1.072
   25    H    LYS   5           H        LYS   5  -2.830   6.097   1.160
   26    HA   LYS   5           HA       LYS   5  -2.717   3.779  -0.327
   27    HB2  LYS   5          2HB       LYS   5  -0.315   3.833   0.016
   28    HB3  LYS   5          1HB       LYS   5  -0.933   5.458  -0.137
   29    HG2  LYS   5          2HG       LYS   5  -0.872   5.734   2.297
   30    HG3  LYS   5          1HG       LYS   5  -0.196   4.116   2.452
   31    HD2  LYS   5          2HD       LYS   5   1.760   4.798   1.170
   32    HD3  LYS   5          1HD       LYS   5   1.065   6.405   0.947
   33    HE2  LYS   5          2HE       LYS   5   1.047   6.712   3.377
   34    HE3  LYS   5          1HE       LYS   5   1.807   5.137   3.575
   35    HZ1  LYS   5          1HZ       LYS   5   3.713   5.949   2.344
   36    HZ2  LYS   5          2HZ       LYS   5   3.402   6.922   3.695
   37    HZ3  LYS   5          3HZ       LYS   5   2.981   7.469   2.166
   38    H    ARG   6           H        ARG   6  -2.812   4.103   3.125
   39    HA   ARG   6           HA       ARG   6  -1.715   1.611   3.856
   40    HB2  ARG   6          2HB       ARG   6  -3.796   3.281   5.251
   41    HB3  ARG   6          1HB       ARG   6  -2.945   1.927   5.977
   42    HG2  ARG   6          2HG       ARG   6  -0.847   3.151   5.807
   43    HG3  ARG   6          1HG       ARG   6  -1.686   4.491   5.014
   44    HD2  ARG   6          2HD       ARG   6  -3.077   4.805   6.971
   45    HD3  ARG   6          1HD       ARG   6  -2.304   3.444   7.772
   46    HE   ARG   6           HE       ARG   6  -0.258   5.095   7.187
   47   HH11  ARG   6          1HH1      ARG   6  -3.354   5.571   8.811
   48   HH12  ARG   6          2HH1      ARG   6  -2.804   6.733   9.911
   49   HH21  ARG   6          1HH2      ARG   6   0.560   6.713   8.764
   50   HH22  ARG   6          2HH2      ARG   6  -0.515   7.384   9.891
   51    H    LYS   7           H        LYS   7  -5.139   2.626   3.738
   52    HA   LYS   7           HA       LYS   7  -6.199   0.062   4.075
   53    HB2  LYS   7          2HB       LYS   7  -7.230   2.289   4.633
   54    HB3  LYS   7          1HB       LYS   7  -7.450   2.534   2.913
   55    HG2  LYS   7          2HG       LYS   7  -9.510   1.804   3.819
   56    HG3  LYS   7          1HG       LYS   7  -8.828   0.488   2.860
   57    HD2  LYS   7          2HD       LYS   7  -9.728  -0.373   4.905
   58    HD3  LYS   7          1HD       LYS   7  -7.984  -0.560   4.922
   59    HE2  LYS   7          2HE       LYS   7  -8.813   0.202   7.105
   60    HE3  LYS   7          1HE       LYS   7  -7.777   1.416   6.377
   61    HZ1  LYS   7          1HZ       LYS   7  -9.798   2.623   5.690
   62    HZ2  LYS   7          2HZ       LYS   7  -9.720   2.406   7.350
   63    HZ3  LYS   7          3HZ       LYS   7 -10.754   1.456   6.446
   64    H    GLU   8           H        GLU   8  -5.799   2.202   1.317
   65    HA   GLU   8           HA       GLU   8  -7.171   0.613  -0.506
   66    HB2  GLU   8          2HB       GLU   8  -6.743   3.006  -0.753
   67    HB3  GLU   8          1HB       GLU   8  -5.036   2.677  -0.975
   68    HG2  GLU   8          2HG       GLU   8  -5.428   1.628  -3.051
   69    HG3  GLU   8          1HG       GLU   8  -7.174   1.622  -2.785
   70    H    CYS   9           H        CYS   9  -3.746   0.702   0.369
   71    HA   CYS   9           HA       CYS   9  -3.321  -1.316  -1.612
   72    HB2  CYS   9          2HB       CYS   9  -1.356   0.213   0.044
   73    HB3  CYS   9          1HB       CYS   9  -0.860  -1.229  -0.845
   74    H    GLU  10           H        GLU  10  -3.964  -1.298   1.747
   75    HA   GLU  10           HA       GLU  10  -3.066  -3.942   2.175
   76    HB2  GLU  10          2HB       GLU  10  -3.743  -2.424   4.031
   77    HB3  GLU  10          1HB       GLU  10  -5.403  -2.489   3.462
   78    HG2  GLU  10          2HG       GLU  10  -5.474  -4.883   3.921
   79    HG3  GLU  10          1HG       GLU  10  -3.805  -4.829   4.471
   80    H    LYS  11           H        LYS  11  -5.932  -2.520   0.809
   81    HA   LYS  11           HA       LYS  11  -7.323  -4.978   0.395
   82    HB2  LYS  11          2HB       LYS  11  -7.666  -2.271  -0.885
   83    HB3  LYS  11          1HB       LYS  11  -8.746  -3.630  -1.141
   84    HG2  LYS  11          2HG       LYS  11  -9.337  -3.616   1.223
   85    HG3  LYS  11          1HG       LYS  11  -8.224  -2.271   1.493
   86    HD2  LYS  11          2HD       LYS  11  -9.498  -0.877  -0.024
   87    HD3  LYS  11          1HD       LYS  11 -10.579  -2.220  -0.382
   88    HE2  LYS  11          2HE       LYS  11 -11.286  -2.267   1.960
   89    HE3  LYS  11          1HE       LYS  11 -10.218  -0.916   2.313
   90    HZ1  LYS  11          1HZ       LYS  11 -11.498   0.477   0.825
   91    HZ2  LYS  11          2HZ       LYS  11 -12.559  -0.241   1.928
   92    HZ3  LYS  11          3HZ       LYS  11 -12.459  -0.825   0.374
   93    H    LYS  12           H        LYS  12  -5.408  -2.856  -1.712
   94    HA   LYS  12           HA       LYS  12  -5.827  -4.430  -4.023
   95    HB2  LYS  12          2HB       LYS  12  -5.273  -1.976  -3.953
   96    HB3  LYS  12          1HB       LYS  12  -3.615  -2.434  -3.611
   97    HG2  LYS  12          2HG       LYS  12  -3.876  -1.923  -5.955
   98    HG3  LYS  12          1HG       LYS  12  -3.524  -3.643  -5.749
   99    HD2  LYS  12          2HD       LYS  12  -5.844  -4.206  -6.070
  100    HD3  LYS  12          1HD       LYS  12  -6.298  -2.503  -6.084
  101    HE2  LYS  12          2HE       LYS  12  -4.981  -2.204  -8.146
  102    HE3  LYS  12          1HE       LYS  12  -4.572  -3.919  -8.118
  103    HZ1  LYS  12          1HZ       LYS  12  -6.423  -3.472  -9.606
  104    HZ2  LYS  12          2HZ       LYS  12  -7.311  -2.802  -8.338
  105    HZ3  LYS  12          3HZ       LYS  12  -6.927  -4.438  -8.313
  106    H    TYR  13           H        TYR  13  -3.107  -4.300  -1.724
  107    HA   TYR  13           HA       TYR  13  -1.876  -6.503  -3.216
  108    HB2  TYR  13          2HB       TYR  13  -0.626  -4.555  -1.264
  109    HB3  TYR  13          1HB       TYR  13   0.208  -5.918  -1.987
  110    HD1  TYR  13          1HD       TYR  13   0.781  -5.875  -4.400
  111    HD2  TYR  13          2HD       TYR  13  -0.990  -2.527  -2.478
  112    HE1  TYR  13          1HE       TYR  13   1.502  -4.439  -6.251
  113    HE2  TYR  13          2HE       TYR  13  -0.287  -1.081  -4.331
  114    HH   TYR  13           HH       TYR  13   0.776  -2.221  -7.274
  115    H    THR  14           H        THR  14  -1.745  -8.405  -2.251
  116    HA   THR  14           HA       THR  14  -2.794  -8.584   0.454
  117    HB   THR  14           HB       THR  14  -3.866  -9.975  -1.323
  118    HG1  THR  14          1HG       THR  14  -4.291 -11.145   0.287
  119   HG21  THR  14          1HG2      THR  14  -1.940 -10.460  -2.724
  120   HG22  THR  14          2HG2      THR  14  -2.686 -11.967  -2.190
  121   HG23  THR  14          3HG2      THR  14  -1.203 -11.395  -1.424
  122    H    ASP  15           H        ASP  15   0.066  -8.857  -1.392
  123    HA   ASP  15           HA       ASP  15   1.555 -10.440   0.468
  124    HB2  ASP  15          2HB       ASP  15   2.129 -10.470  -1.898
  125    HB3  ASP  15          1HB       ASP  15   2.429  -8.742  -1.880
  126    HA   PRO  16           HA       PRO  16   2.256  -7.181   3.423
  127    HB2  PRO  16          2HB       PRO  16   4.754  -8.734   3.883
  128    HB3  PRO  16          1HB       PRO  16   3.556  -8.154   5.046
  129    HG2  PRO  16          2HG       PRO  16   3.614 -10.703   4.370
  130    HG3  PRO  16          1HG       PRO  16   2.066  -9.866   4.564
  131    HD2  PRO  16          2HD       PRO  16   3.489 -10.653   2.057
  132    HD3  PRO  16          1HD       PRO  16   1.750 -10.647   2.433
  133    H    LYS  17           H        LYS  17   4.982  -8.254   1.369
  134    HA   LYS  17           HA       LYS  17   6.314  -5.774   1.946
  135    HB2  LYS  17          2HB       LYS  17   7.155  -8.150   0.324
  136    HB3  LYS  17          1HB       LYS  17   8.090  -6.654   0.336
  137    HG2  LYS  17          2HG       LYS  17   7.455  -8.399   2.717
  138    HG3  LYS  17          1HG       LYS  17   9.007  -8.298   1.882
  139    HD2  LYS  17          2HD       LYS  17   9.169  -5.921   2.486
  140    HD3  LYS  17          1HD       LYS  17   7.631  -6.029   3.336
  141    HE2  LYS  17          2HE       LYS  17   8.660  -7.790   4.783
  142    HE3  LYS  17          1HE       LYS  17  10.204  -7.414   4.021
  143    HZ1  LYS  17          1HZ       LYS  17   8.505  -5.462   5.457
  144    HZ2  LYS  17          2HZ       LYS  17  10.041  -5.147   4.828
  145    HZ3  LYS  17          3HZ       LYS  17   9.856  -6.219   6.123
  146    H    LYS  18           H        LYS  18   4.447  -7.081  -0.622
  147    HA   LYS  18           HA       LYS  18   4.965  -4.942  -2.445
  148    HB2  LYS  18          2HB       LYS  18   2.578  -6.772  -2.174
  149    HB3  LYS  18          1HB       LYS  18   2.746  -5.584  -3.449
  150    HG2  LYS  18          2HG       LYS  18   4.680  -7.837  -2.978
  151    HG3  LYS  18          1HG       LYS  18   3.364  -7.867  -4.151
  152    HD2  LYS  18          2HD       LYS  18   4.324  -5.902  -5.268
  153    HD3  LYS  18          1HD       LYS  18   5.650  -5.896  -4.111
  154    HE2  LYS  18          2HE       LYS  18   4.992  -8.188  -5.932
  155    HE3  LYS  18          1HE       LYS  18   6.197  -6.955  -6.298
  156    HZ1  LYS  18          1HZ       LYS  18   6.260  -8.834  -3.992
  157    HZ2  LYS  18          2HZ       LYS  18   7.410  -7.660  -4.302
  158    HZ3  LYS  18          3HZ       LYS  18   7.207  -8.941  -5.374
  159    H    ARG  19           H        ARG  19   2.740  -5.447   0.153
  160    HA   ARG  19           HA       ARG  19   1.270  -3.055  -0.158
  161    HB2  ARG  19          2HB       ARG  19   0.550  -4.982   1.213
  162    HB3  ARG  19          1HB       ARG  19   1.844  -4.636   2.346
  163    HG2  ARG  19          2HG       ARG  19   0.821  -2.531   2.929
  164    HG3  ARG  19          1HG       ARG  19  -0.439  -2.783   1.714
  165    HD2  ARG  19          2HD       ARG  19   0.092  -4.514   4.120
  166    HD3  ARG  19          1HD       ARG  19  -1.257  -3.393   3.911
  167    HE   ARG  19           HE       ARG  19  -1.467  -5.014   1.764
  168   HH11  ARG  19          1HH1      ARG  19  -1.258  -5.648   5.226
  169   HH12  ARG  19          2HH1      ARG  19  -2.186  -7.082   5.147
  170   HH21  ARG  19          1HH2      ARG  19  -2.765  -6.943   1.682
  171   HH22  ARG  19          2HH2      ARG  19  -3.068  -7.815   3.136
  172    H    GLU  20           H        GLU  20   4.098  -3.926   1.809
  173    HA   GLU  20           HA       GLU  20   4.565  -1.358   2.817
  174    HB2  GLU  20          2HB       GLU  20   6.465  -3.673   2.424
  175    HB3  GLU  20          1HB       GLU  20   6.922  -2.177   3.220
  176    HG2  GLU  20          2HG       GLU  20   5.179  -2.569   4.919
  177    HG3  GLU  20          1HG       GLU  20   4.778  -4.091   4.127
  178    H    GLU  21           H        GLU  21   5.402  -2.774  -0.308
  179    HA   GLU  21           HA       GLU  21   7.227  -0.863  -1.175
  180    HB2  GLU  21          2HB       GLU  21   6.765  -3.012  -2.346
  181    HB3  GLU  21          1HB       GLU  21   5.153  -2.413  -2.734
  182    HG2  GLU  21          2HG       GLU  21   6.193  -0.541  -3.905
  183    HG3  GLU  21          1HG       GLU  21   7.760  -1.314  -3.648
  184    H    CYS  22           H        CYS  22   3.712  -1.189  -1.567
  185    HA   CYS  22           HA       CYS  22   3.265   1.222  -2.871
  186    HB2  CYS  22          2HB       CYS  22   1.512  -0.458  -2.781
  187    HB3  CYS  22          1HB       CYS  22   1.400  -0.287  -1.029
  188    H    LYS  23           H        LYS  23   3.320   0.441   0.529
  189    HA   LYS  23           HA       LYS  23   2.530   2.764   1.769
  190    HB2  LYS  23          2HB       LYS  23   3.076   0.589   2.813
  191    HB3  LYS  23          1HB       LYS  23   4.773   0.899   2.530
  192    HG2  LYS  23          2HG       LYS  23   4.647   2.811   4.070
  193    HG3  LYS  23          1HG       LYS  23   2.953   2.408   4.391
  194    HD2  LYS  23          2HD       LYS  23   3.641   0.168   5.139
  195    HD3  LYS  23          1HD       LYS  23   5.323   0.595   4.847
  196    HE2  LYS  23          2HE       LYS  23   4.892   0.801   7.180
  197    HE3  LYS  23          1HE       LYS  23   5.078   2.418   6.513
  198    HZ1  LYS  23          1HZ       LYS  23   3.238   2.328   8.032
  199    HZ2  LYS  23          2HZ       LYS  23   2.541   1.058   7.192
  200    HZ3  LYS  23          3HZ       LYS  23   2.605   2.583   6.484
  201    H    ARG  24           H        ARG  24   5.623   2.029   0.252
  202    HA   ARG  24           HA       ARG  24   6.856   4.543   1.058
  203    HB2  ARG  24          2HB       ARG  24   7.837   2.229  -0.600
  204    HB3  ARG  24          1HB       ARG  24   8.789   3.661  -0.252
  205    HG2  ARG  24          2HG       ARG  24   8.782   3.152   2.095
  206    HG3  ARG  24          1HG       ARG  24   7.679   1.800   1.828
  207    HD2  ARG  24          2HD       ARG  24  10.036   1.087   2.101
  208    HD3  ARG  24          1HD       ARG  24   9.351   0.624   0.544
  209    HE   ARG  24           HE       ARG  24  10.644   3.107   0.319
  210   HH11  ARG  24          1HH1      ARG  24  11.493  -0.322   0.768
  211   HH12  ARG  24          2HH1      ARG  24  12.947  -0.205  -0.095
  212   HH21  ARG  24          1HH2      ARG  24  12.693   3.228  -0.846
  213   HH22  ARG  24          2HH2      ARG  24  13.654   1.817  -0.974
  214    H    LYS  25           H        LYS  25   5.131   3.246  -1.622
  215    HA   LYS  25           HA       LYS  25   6.416   5.013  -3.556
  216    HB2  LYS  25          2HB       LYS  25   6.111   2.666  -4.106
  217    HB3  LYS  25          1HB       LYS  25   4.380   2.818  -3.900
  218    HG2  LYS  25          2HG       LYS  25   4.262   4.314  -5.823
  219    HG3  LYS  25          1HG       LYS  25   6.014   4.217  -6.014
  220    HD2  LYS  25          2HD       LYS  25   4.147   1.847  -6.152
  221    HD3  LYS  25          1HD       LYS  25   4.750   2.719  -7.561
  222    HE2  LYS  25          2HE       LYS  25   7.035   2.128  -6.971
  223    HE3  LYS  25          1HE       LYS  25   6.483   1.317  -5.510
  224    HZ1  LYS  25          1HZ       LYS  25   5.486  -0.397  -6.777
  225    HZ2  LYS  25          2HZ       LYS  25   6.986  -0.125  -7.505
  226    HZ3  LYS  25          3HZ       LYS  25   5.605   0.484  -8.209
  227    H    ALA  26           H        ALA  26   3.321   4.521  -2.010
  228    HA   ALA  26           HA       ALA  26   2.107   6.622  -3.580
  229    HB1  ALA  26          1HB       ALA  26   1.003   4.923  -1.353
  230    HB2  ALA  26          2HB       ALA  26   0.799   4.624  -3.079
  231    HB3  ALA  26          3HB       ALA  26   0.070   6.049  -2.335