*HEADER    ANTIFUNGAL PROTEIN                      04-AUG-20   7JNN              
*TITLE     NMR SOLUTION STRUCTURE OF PLANT DEFENSIN SLD26                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SLD26 PLANT DEFENSIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SOLANUM LYCOPERSICUM;                           
*SOURCE   3 ORGANISM_COMMON: TOMATO;                                             
*SOURCE   4 ORGANISM_TAXID: 4081;                                                
*SOURCE   5 EXPRESSION_SYSTEM: KOMAGATAELLA PASTORIS;                            
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 4922                                        
*KEYWDS    PLANT DEFENSIN, ANTIFUNGAL PROTEIN                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.J.HARVEY,D.J.CRAIK                                                  
*REVDAT   1   09-SEP-20 7JNN    0                                                
# Restraints file 1: SlD26restraintspdb.tbl
!distance restraints
assign (resid  30 and name   HN)   (resid  30 and name  HB#)   2.485    0.685    0.685  
assign (resid   1 and name  HB#)   (resid   2 and name   HN)   2.835    1.035    1.035  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.460    0.660    0.660  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.610    0.810    0.810  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.330    1.530    1.530  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.435    0.635    0.635  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   3.195    1.395    1.395  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   3.195    1.395    1.395  
assign (resid  32 and name  HB1)   (resid  33 and name   HN)   3.085    1.285    1.285  
assign (resid  32 and name  HB2)   (resid  33 and name   HN)   2.645    0.845    0.845  
assign (resid  32 and name  HD#)   (resid  33 and name   HN)   3.105    1.305    1.305  
assign (resid  30 and name  HB#)   (resid  31 and name   HN)   2.590    0.790    0.790  
assign (resid  30 and name   HA)   (resid  31 and name   HN)   2.550    0.750    0.750  
assign (resid  30 and name   HA)   (resid  44 and name  HD#)   2.600    0.800    0.800  
assign (resid  31 and name   HN)   (resid  44 and name   HA)   2.795    0.995    0.995  
assign (resid  31 and name   HN)   (resid  32 and name   HN)   2.580    0.780    0.780  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   3.385    1.585    1.585  
assign (resid  27 and name   HN)   (resid  27 and name  HB2)   2.965    1.165    1.165  
assign (resid  27 and name   HN)   (resid  27 and name  HB1)   2.965    1.165    1.165  
assign (resid  27 and name   HN)   (resid  27 and name  HG2)   3.270    1.470    1.470  
assign (resid  25 and name   HN)   (resid  27 and name   HN)   3.290    1.490    1.490  
assign (resid  27 and name   HN)   (resid  29 and name   HN)   3.460    1.660    1.660  
assign (resid   1 and name  HB#)   (resid   2 and name   HA)   3.025    1.225    1.225  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.300    0.500    0.500  
assign (resid   3 and name   HA)   (resid   3 and name  HD2)   3.235    1.435    1.435  
assign (resid   3 and name  HD2)   (resid  32 and name  HE#)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid  43 and name  HE#)   3.265    1.465    1.465  
assign (resid   5 and name   HN)   (resid  43 and name  HD#)   3.290    1.490    1.490  
assign (resid  24 and name   HN)   (resid  30 and name  HB#)   3.330    1.530    1.530  
assign (resid   6 and name   HN)   (resid   6 and name  HG2)   3.630    1.830    1.830  
assign (resid   6 and name   HN)   (resid   6 and name  HG1)   3.630    1.830    1.830  
assign (resid  24 and name   HN)   (resid  24 and name  HB2)   2.750    0.950    0.950  
assign (resid  24 and name   HN)   (resid  24 and name  HB1)   2.750    0.950    0.950  
assign (resid  23 and name  HB2)   (resid  24 and name   HN)   2.800    1.000    1.000  
assign (resid  23 and name  HB1)   (resid  24 and name   HN)   2.800    1.000    1.000  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.785    0.985    0.985  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.720    0.920    0.920  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.720    0.920    0.920  
assign (resid  38 and name   HN)   (resid  39 and name   HN)   2.705    0.905    0.905  
assign (resid  37 and name   HN)   (resid  38 and name   HN)   2.770    0.970    0.970  
assign (resid  36 and name   HA)   (resid  37 and name   HN)   2.370    0.570    0.570  
assign (resid  37 and name  HB2)   (resid  38 and name   HN)   3.250    1.450    1.450  
assign (resid  37 and name  HB1)   (resid  38 and name   HN)   3.250    1.450    1.450  
assign (resid  36 and name   HA)   (resid  38 and name   HN)   3.175    1.375    1.375  
assign (resid  37 and name   HA)   (resid  38 and name   HN)   2.505    0.705    0.705  
assign (resid  37 and name   HN)   (resid  37 and name   HA)   2.365    0.565    0.565  
assign (resid  39 and name   HN)   (resid  39 and name  HB2)   2.550    0.750    0.750  
assign (resid  39 and name   HN)   (resid  39 and name  HB1)   2.940    1.140    1.140  
assign (resid  35 and name   HA)   (resid  39 and name   HN)   3.345    1.545    1.545  
assign (resid  39 and name   HN)   (resid  41 and name  HD#)   3.140    1.340    1.340  
assign (resid  36 and name   HN)   (resid  39 and name   HN)   2.765    0.965    0.965  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.475    0.675    0.675  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   3.180    1.380    1.380  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.705    0.905    0.905  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.705    0.905    0.905  
assign (resid  14 and name   HN)   (resid  14 and name  HG2)   3.270    1.470    1.470  
assign (resid  14 and name   HN)   (resid  14 and name  HG1)   3.270    1.470    1.470  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.275    0.475    0.475  
assign (resid  14 and name  HE2)   (resid  15 and name   HN)   3.650    1.850    1.850  
assign (resid  14 and name  HE1)   (resid  15 and name   HN)   3.650    1.850    1.850  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.580    0.780    0.780  
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   2.580    0.780    0.780  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   3.060    1.260    1.260  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   3.060    1.260    1.260  
assign (resid  14 and name  HG2)   (resid  15 and name   HN)   3.095    1.295    1.295  
assign (resid  14 and name  HG1)   (resid  15 and name   HN)   3.095    1.295    1.295  
assign (resid  23 and name   HN)   (resid  23 and name  HB2)   2.615    0.815    0.815  
assign (resid  31 and name   HN)   (resid  31 and name  HB2)   2.820    1.020    1.020  
assign (resid  31 and name   HN)   (resid  31 and name  HB1)   2.820    1.020    1.020  
assign (resid  31 and name  HB2)   (resid  32 and name   HN)   2.765    0.965    0.965  
assign (resid  31 and name  HB1)   (resid  32 and name   HN)   2.765    0.965    0.965  
assign (resid  32 and name   HA)   (resid  32 and name  HD#)   3.275    1.475    1.475  
assign (resid  32 and name   HN)   (resid  32 and name  HD#)   2.960    1.160    1.160  
assign (resid  21 and name   HA)   (resid  33 and name   HN)   2.590    0.790    0.790  
assign (resid  21 and name  HB2)   (resid  33 and name   HN)   2.990    1.190    1.190  
assign (resid  24 and name  HB2)   (resid  33 and name   HN)   3.650    1.850    1.850  
assign (resid  21 and name   HA)   (resid  33 and name  HA2)   3.065    1.265    1.265  
assign (resid  24 and name  HB2)   (resid  33 and name  HA2)   3.525    1.725    1.725  
assign (resid  24 and name  HB1)   (resid  33 and name  HA2)   3.525    1.725    1.725  
assign (resid  33 and name  HA2)   (resid  42 and name   HA)   3.180    1.380    1.380  
assign (resid  33 and name  HA1)   (resid  42 and name   HA)   2.985    1.185    1.185  
assign (resid  34 and name   HN)   (resid  41 and name   HN)   2.745    0.945    0.945  
assign (resid  36 and name   HN)   (resid  38 and name   HN)   3.260    1.460    1.460  
assign (resid  34 and name   HN)   (resid  42 and name   HN)   3.650    1.850    1.850  
assign (resid  36 and name   HN)   (resid  40 and name   HN)   3.650    1.850    1.850  
assign (resid  36 and name   HN)   (resid  41 and name  HD#)   2.710    0.910    0.910  
assign (resid  34 and name   HN)   (resid  43 and name  HE#)   2.740    0.940    0.940  
assign (resid  34 and name   HN)   (resid  43 and name  HD#)   2.955    1.155    1.155  
assign (resid  33 and name  HA2)   (resid  34 and name   HN)   2.585    0.785    0.785  
assign (resid  35 and name   HA)   (resid  36 and name   HN)   2.375    0.575    0.575  
assign (resid  34 and name   HN)   (resid  42 and name   HA)   3.150    1.350    1.350  
assign (resid  36 and name   HN)   (resid  39 and name  HB2)   2.885    1.085    1.085  
assign (resid  35 and name   HA)   (resid  36 and name  HB2)   3.650    1.850    1.850  
assign (resid  35 and name   HA)   (resid  36 and name  HB1)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.600    0.800    0.800  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.600    0.800    0.800  
assign (resid  17 and name   HA)   (resid  35 and name   HN)   3.440    1.640    1.640  
assign (resid  34 and name   HA)   (resid  35 and name   HN)   2.535    0.735    0.735  
assign (resid  35 and name   HA)   (resid  41 and name   HN)   3.130    1.330    1.330  
assign (resid  41 and name   HN)   (resid  41 and name  HD#)   2.685    0.885    0.885  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   3.180    1.380    1.380  
assign (resid  34 and name   HN)   (resid  41 and name  HB1)   3.365    1.565    1.565  
assign (resid  34 and name   HN)   (resid  41 and name  HB2)   3.365    1.565    1.565  
assign (resid  36 and name   HN)   (resid  36 and name  HB2)   2.835    1.035    1.035  
assign (resid  36 and name   HN)   (resid  36 and name  HB1)   2.835    1.035    1.035  
assign (resid  33 and name  HA1)   (resid  34 and name   HN)   2.640    0.840    0.840  
assign (resid  42 and name   HN)   (resid  42 and name  HB2)   2.695    0.895    0.895  
assign (resid  42 and name   HN)   (resid  42 and name  HB1)   2.945    1.145    1.145  
assign (resid  41 and name   HA)   (resid  42 and name   HN)   2.435    0.635    0.635  
assign (resid  41 and name   HN)   (resid  42 and name   HN)   3.210    1.410    1.410  
assign (resid  42 and name   HA)   (resid  43 and name   HN)   2.485    0.685    0.685  
assign (resid  32 and name  HE#)   (resid  43 and name  HE#)   3.115    1.315    1.315  
assign (resid  32 and name  HE#)   (resid  43 and name  HD#)   3.005    1.205    1.205  
assign (resid  33 and name  HA2)   (resid  43 and name  HE#)   3.155    1.355    1.355  
assign (resid  33 and name  HA2)   (resid  43 and name  HD#)   2.630    0.830    0.830  
assign (resid  42 and name   HA)   (resid  43 and name  HE#)   3.305    1.505    1.505  
assign (resid  42 and name   HA)   (resid  43 and name  HD#)   2.835    1.035    1.035  
assign (resid   4 and name   HA)   (resid  43 and name  HE#)   3.650    1.850    1.850  
assign (resid   4 and name   HA)   (resid  43 and name  HD#)   3.315    1.515    1.515  
assign (resid  42 and name  HB2)   (resid  44 and name  HE#)   2.675    0.875    0.875  
assign (resid  42 and name  HB1)   (resid  44 and name  HE#)   2.810    1.010    1.010  
assign (resid  42 and name  HB2)   (resid  43 and name   HN)   3.095    1.295    1.295  
assign (resid  42 and name  HB1)   (resid  43 and name   HN)   2.865    1.065    1.065  
assign (resid  41 and name   HN)   (resid  41 and name  HB2)   2.845    1.045    1.045  
assign (resid  41 and name   HN)   (resid  41 and name  HB1)   2.845    1.045    1.045  
assign (resid  30 and name  HB#)   (resid  43 and name   HN)   2.785    0.985    0.985  
assign (resid  30 and name  HB#)   (resid  44 and name  HE#)   2.690    0.890    0.890  
assign (resid  32 and name   HN)   (resid  43 and name  HB2)   3.060    1.260    1.260  
assign (resid  30 and name  HB#)   (resid  32 and name   HN)   2.675    0.875    0.875  
assign (resid  30 and name  HB#)   (resid  44 and name  HD#)   2.825    1.025    1.025  
assign (resid  43 and name   HN)   (resid  43 and name  HB2)   2.740    0.940    0.940  
assign (resid  43 and name   HN)   (resid  43 and name  HB1)   2.900    1.100    1.100  
assign (resid  33 and name  HA1)   (resid  43 and name   HN)   3.225    1.425    1.425  
assign (resid  33 and name  HA2)   (resid  43 and name   HN)   3.060    1.260    1.260  
assign (resid  23 and name  HD1)   (resid  24 and name   HA)   2.720    0.920    0.920  
assign (resid  23 and name   HN)   (resid  23 and name  HB1)   2.615    0.815    0.815  
assign (resid  23 and name   HN)   (resid  23 and name  HD1)   3.495    1.695    1.695  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   2.760    0.960    0.960  
assign (resid  21 and name  HB1)   (resid  22 and name   HN)   2.525    0.725    0.725  
assign (resid  19 and name   HN)   (resid  21 and name   HN)   3.195    1.395    1.395  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   2.765    0.965    0.965  
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.775    0.975    0.975  
assign (resid  19 and name   HN)   (resid  19 and name  HB1)   2.775    0.975    0.975  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.925    1.125    1.125  
assign (resid  18 and name   HN)   (resid  18 and name  HB2)   2.910    1.110    1.110  
assign (resid  18 and name   HN)   (resid  18 and name  HB1)   2.910    1.110    1.110  
assign (resid  18 and name   HN)   (resid  18 and name  HG2)   3.415    1.615    1.615  
assign (resid  17 and name  HB2)   (resid  18 and name   HN)   2.990    1.190    1.190  
assign (resid  17 and name  HB1)   (resid  18 and name   HN)   2.990    1.190    1.190  
assign (resid  21 and name   HA)   (resid  24 and name   HN)   3.165    1.365    1.365  
assign (resid  44 and name   HN)   (resid  44 and name  HB1)   2.945    1.145    1.145  
assign (resid   4 and name  HB2)   (resid  44 and name   HN)   3.155    1.355    1.355  
assign (resid   4 and name  HB1)   (resid  44 and name   HN)   3.155    1.355    1.355  
assign (resid  44 and name   HN)   (resid  44 and name  HB2)   2.945    1.145    1.145  
assign (resid  44 and name   HN)   (resid  44 and name  HE#)   3.365    1.565    1.565  
assign (resid  43 and name  HD#)   (resid  44 and name   HN)   3.165    1.365    1.365  
assign (resid  44 and name   HN)   (resid  44 and name  HD#)   2.550    0.750    0.750  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.760    0.960    0.960  
assign (resid  44 and name   HN)   (resid  45 and name   HN)   3.295    1.495    1.495  
assign (resid   4 and name   HN)   (resid  44 and name   HN)   3.070    1.270    1.270  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   2.675    0.875    0.875  
assign (resid  20 and name  HB2)   (resid  21 and name   HN)   3.000    1.200    1.200  
assign (resid  20 and name  HB1)   (resid  21 and name   HN)   3.000    1.200    1.200  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.545    0.745    0.745  
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.610    0.810    0.810  
assign (resid  21 and name   HN)   (resid  21 and name HD21)   3.230    1.430    1.430  
assign (resid  18 and name  HG2)   (resid  22 and name  HD2)   3.425    1.625    1.625  
assign (resid  18 and name  HG1)   (resid  22 and name  HD2)   3.425    1.625    1.625  
assign (resid  21 and name  HB1)   (resid  22 and name  HD2)   3.350    1.550    1.550  
assign (resid  22 and name   HA)   (resid  22 and name  HD2)   3.145    1.345    1.345  
assign (resid  22 and name   HN)   (resid  22 and name  HD2)   3.305    1.505    1.505  
assign (resid  21 and name HD22)   (resid  22 and name   HN)   3.310    1.510    1.510  
assign (resid  21 and name HD21)   (resid  22 and name   HN)   3.195    1.395    1.395  
assign (resid  24 and name  HB2)   (resid  25 and name   HN)   2.905    1.105    1.105  
assign (resid  24 and name  HB1)   (resid  25 and name   HN)   2.905    1.105    1.105  
assign (resid  25 and name   HN)   (resid  25 and name  HB2)   2.845    1.045    1.045  
assign (resid  25 and name   HN)   (resid  25 and name  HB1)   2.845    1.045    1.045  
assign (resid  26 and name   HN)   (resid  26 and name  HB2)   2.675    0.875    0.875  
assign (resid  26 and name   HN)   (resid  26 and name  HB1)   2.675    0.875    0.875  
assign (resid  26 and name   HN)   (resid  28 and name   HN)   3.135    1.335    1.335  
assign (resid  39 and name  HB1)   (resid  41 and name  HD#)   2.715    0.915    0.915  
assign (resid  46 and name   HN)   (resid  46 and name  HB2)   2.730    0.930    0.930  
assign (resid   4 and name  HB2)   (resid  46 and name   HN)   3.385    1.585    1.585  
assign (resid  46 and name   HN)   (resid  46 and name  HB1)   2.730    0.930    0.930  
assign (resid  45 and name   HA)   (resid  46 and name   HN)   2.545    0.745    0.745  
assign (resid  45 and name   HN)   (resid  46 and name   HN)   3.350    1.550    1.550  
assign (resid  44 and name   HA)   (resid  45 and name   HN)   2.575    0.775    0.775  
assign (resid  45 and name   HA)   (resid  45 and name  HD2)   3.240    1.440    1.440  
assign (resid  44 and name  HD#)   (resid  45 and name   HN)   3.115    1.315    1.315  
assign (resid  43 and name  HB2)   (resid  44 and name   HN)   3.210    1.410    1.410  
assign (resid  44 and name   HA)   (resid  44 and name  HD#)   2.630    0.830    0.830  
assign (resid  43 and name   HN)   (resid  43 and name  HE#)   3.340    1.540    1.540  
assign (resid  43 and name   HN)   (resid  43 and name  HD#)   2.710    0.910    0.910  
assign (resid  32 and name   HN)   (resid  43 and name   HN)   2.900    1.100    1.100  
assign (resid  39 and name   HA)   (resid  40 and name   HN)   2.465    0.665    0.665  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   2.955    1.155    1.155  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   2.955    1.155    1.155  
assign (resid  23 and name  HD1)   (resid  24 and name   HN)   3.180    1.380    1.380  
assign (resid   6 and name  HG2)   (resid   7 and name   HN)   3.575    1.775    1.775  
assign (resid   6 and name  HG1)   (resid   7 and name   HN)   3.575    1.775    1.775  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.865    1.065    1.065  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.865    1.065    1.065  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   3.215    1.415    1.415  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   3.215    1.415    1.415  
assign (resid  29 and name   HN)   (resid  29 and name   HA)   2.335    0.535    0.535  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.570    0.770    0.770  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   2.600    0.800    0.800  
assign (resid  27 and name  HB2)   (resid  28 and name   HN)   3.110    1.310    1.310  
assign (resid  27 and name  HB1)   (resid  28 and name   HN)   3.110    1.310    1.310  
assign (resid  27 and name   HN)   (resid  27 and name  HG1)   3.270    1.470    1.470  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.550    0.750    0.750  
assign (resid  16 and name   HA)   (resid  16 and name  HD#)   2.695    0.895    0.895  
assign (resid  16 and name   HN)   (resid  16 and name  HD#)   2.970    1.170    1.170  
assign (resid  41 and name   HA)   (resid  41 and name  HD#)   2.605    0.805    0.805  
assign (resid  36 and name  HB2)   (resid  41 and name  HD#)   3.045    1.245    1.245  
assign (resid  36 and name  HB1)   (resid  41 and name  HD#)   3.045    1.245    1.245  
assign (resid  41 and name  HB2)   (resid  43 and name  HE#)   2.680    0.880    0.880  
assign (resid  41 and name  HB2)   (resid  43 and name  HD#)   3.355    1.555    1.555  
assign (resid   5 and name  HA1)   (resid  43 and name  HD#)   3.050    1.250    1.250  
assign (resid  39 and name  HB2)   (resid  41 and name  HD#)   2.580    0.780    0.780  
assign (resid  41 and name  HB1)   (resid  43 and name  HE#)   2.680    0.880    0.880  
assign (resid  41 and name  HB1)   (resid  43 and name  HD#)   3.355    1.555    1.555  
assign (resid  41 and name   HA)   (resid  42 and name  HB2)   3.425    1.625    1.625  
assign (resid  18 and name   HA)   (resid  18 and name  HD2)   3.645    1.845    1.845  
assign (resid  18 and name   HA)   (resid  18 and name  HD1)   3.645    1.845    1.845  
assign (resid  21 and name  HB2)   (resid  33 and name  HA1)   3.125    1.325    1.325  
assign (resid  24 and name  HB2)   (resid  33 and name  HA1)   3.275    1.475    1.475  
assign (resid  24 and name  HB1)   (resid  33 and name  HA1)   3.275    1.475    1.475  
assign (resid  25 and name   HN)   (resid  26 and name  HB2)   3.650    1.850    1.850  
assign (resid  25 and name   HN)   (resid  26 and name  HB1)   3.650    1.850    1.850  
assign (resid  28 and name  HB1)   (resid  30 and name  HB#)   3.135    1.335    1.335  
assign (resid  30 and name  HB#)   (resid  42 and name  HB2)   2.815    1.015    1.015  
assign (resid  24 and name  HB2)   (resid  30 and name  HB#)   2.825    1.025    1.025  
assign (resid  30 and name  HB#)   (resid  42 and name  HB1)   2.615    0.815    0.815  
assign (resid  28 and name  HB2)   (resid  30 and name  HB#)   3.135    1.335    1.335  
assign (resid  24 and name  HB1)   (resid  30 and name  HB#)   2.825    1.025    1.025  
assign (resid  27 and name   HA)   (resid  27 and name  HD2)   3.125    1.325    1.325  
assign (resid  27 and name   HA)   (resid  27 and name  HD1)   3.125    1.325    1.325  
assign (resid  17 and name   HA)   (resid  34 and name   HA)   3.535    1.335    1.335  
assign (resid  32 and name  HB2)   (resid  43 and name  HB2)   3.360    1.560    1.560  
assign (resid  31 and name  HG2)   (resid  44 and name   HA)   3.500    1.700    1.700  
assign (resid  31 and name  HG1)   (resid  44 and name   HA)   3.500    1.700    1.700  
assign (resid  30 and name  HB#)   (resid  44 and name   HA)   3.170    1.370    1.370  
assign (resid  30 and name  HB#)   (resid  42 and name   HA)   2.950    1.150    1.150  
assign (resid  30 and name  HB#)   (resid  42 and name   HN)   3.650    1.850    1.850  
assign (resid  18 and name   HN)   (resid  18 and name  HD2)   3.650    1.850    1.850  
assign (resid  18 and name   HN)   (resid  18 and name  HD1)   3.650    1.850    1.850  
assign (resid  31 and name  HD2)   (resid  45 and name   HN)   3.650    1.850    1.850  
assign (resid  31 and name  HD1)   (resid  45 and name   HN)   3.650    1.850    1.850  
assign (resid  18 and name   HN)   (resid  18 and name  HG1)   3.415    1.615    1.615  
assign (resid  36 and name   HN)   (resid  39 and name  HB1)   3.495    1.695    1.695  
assign (resid  39 and name  HB1)   (resid  40 and name   HN)   2.690    0.890    0.890  
assign (resid  15 and name  HB2)   (resid  39 and name   HN)   3.575    1.775    1.775  
assign (resid  15 and name  HB1)   (resid  39 and name   HN)   3.575    1.775    1.775  
assign (resid  24 and name  HB1)   (resid  33 and name   HN)   3.650    1.850    1.850  
assign (resid  31 and name  HE2)   (resid  45 and name   HN)   3.650    1.850    1.850  
assign (resid  31 and name  HE1)   (resid  45 and name   HN)   3.650    1.850    1.850  
assign (resid   4 and name  HB1)   (resid  46 and name   HN)   3.385    1.585    1.585  
assign (resid  15 and name   HN)   (resid  39 and name   HA)   3.650    1.850    1.850  
assign (resid  38 and name   HN)   (resid  39 and name   HA)   3.650    1.850    1.850  
assign (resid  31 and name   HN)   (resid  44 and name  HE#)   3.350    1.550    1.550  
assign (resid  45 and name   HN)   (resid  45 and name  HD2)   3.500    1.700    1.700  
assign (resid  32 and name   HN)   (resid  33 and name   HN)   3.565    1.765    1.765  
assign (resid   7 and name  HD2)   (resid   8 and name   HN)   3.200    1.400    1.400  
assign (resid  22 and name   HN)   (resid  24 and name   HN)   3.430    1.630    1.630  
assign (resid  34 and name   HN)   (resid  43 and name   HN)   3.490    1.690    1.690  
assign (resid  24 and name   HN)   (resid  26 and name   HN)   3.270    1.470    1.470  
assign (resid  35 and name   HA)   (resid  41 and name  HD#)   3.035    1.235    1.235  
assign (resid  32 and name   HN)   (resid  32 and name  HE#)   3.550    1.750    1.750  
assign (resid  32 and name   HN)   (resid  42 and name   HA)   3.400    1.600    1.600  
assign (resid  39 and name   HA)   (resid  41 and name  HD#)   3.335    1.535    1.535  
assign (resid  31 and name   HA)   (resid  32 and name  HD#)   3.210    1.410    1.410  
assign (resid   5 and name  HA2)   (resid  43 and name  HD#)   3.050    1.250    1.250  
assign (resid  30 and name   HA)   (resid  44 and name  HE#)   2.555    0.755    0.755  
assign (resid  15 and name   HA)   (resid  16 and name  HD#)   3.235    1.435    1.435  
assign (resid  34 and name  HB2)   (resid  43 and name  HE#)   3.075    1.275    1.275  
assign (resid  34 and name  HB1)   (resid  43 and name  HE#)   3.075    1.275    1.275  
assign (resid  11 and name   HA)   (resid  11 and name  HD1)   3.190    1.390    1.390  
assign (resid  32 and name   HN)   (resid  32 and name  HB2)   2.935    1.135    1.135  
assign (resid   6 and name  HB2)   (resid  44 and name  HE#)   2.850    1.050    1.050  
assign (resid   6 and name  HB1)   (resid  44 and name  HE#)   2.850    1.050    1.050  
assign (resid   6 and name  HD2)   (resid  44 and name  HE#)   3.035    1.235    1.235  
assign (resid   6 and name  HD1)   (resid  44 and name  HE#)   3.035    1.235    1.235  
assign (resid  31 and name  HB2)   (resid  32 and name  HD#)   2.595    0.795    0.795  
assign (resid  31 and name  HD2)   (resid  32 and name  HD#)   3.650    1.850    1.850  
assign (resid  31 and name  HD1)   (resid  32 and name  HD#)   3.650    1.850    1.850  
assign (resid  31 and name  HB1)   (resid  32 and name  HD#)   2.595    0.795    0.795  
assign (resid  14 and name  HG2)   (resid  16 and name  HD#)   3.470    1.670    1.670  
assign (resid  14 and name  HG1)   (resid  16 and name  HD#)   3.470    1.670    1.670  
assign (resid  30 and name  HB#)   (resid  43 and name  HD#)   3.600    1.800    1.800  
assign (resid  31 and name  HD2)   (resid  32 and name  HE#)   3.650    1.850    1.850  
assign (resid  31 and name  HD1)   (resid  32 and name  HE#)   3.650    1.850    1.850  
assign (resid  34 and name   HN)   (resid  41 and name   HA)   3.635    1.835    1.835  
assign (resid  21 and name   HA)   (resid  34 and name   HN)   3.650    1.850    1.850  
assign (resid  30 and name   HN)   (resid  44 and name  HD#)   3.340    1.540    1.540  
assign (resid  32 and name  HB2)   (resid  43 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name   HA)   (resid  44 and name   HN)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid  43 and name  HD#)   3.545    1.745    1.745  
assign (resid  30 and name  HB#)   (resid  44 and name   HN)   3.620    1.820    1.820  
assign (resid  11 and name   HN)   (resid  11 and name  HD1)   3.425    1.625    1.625  
assign (resid  35 and name   HA)   (resid  40 and name   HN)   3.645    1.845    1.845  
assign (resid  39 and name   HN)   (resid  40 and name   HN)   3.475    1.675    1.675  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.595    0.795    0.795  
assign (resid   2 and name   HA)   (resid   3 and name  HB#)   3.570    1.770    1.770  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.780    0.980    0.980  
assign (resid   3 and name  HB#)   (resid   4 and name   HA)   3.085    1.285    1.285  
assign (resid   3 and name  HB#)   (resid  32 and name  HE#)   3.265    1.465    1.465  
assign (resid   3 and name  HB#)   (resid  43 and name  HB1)   2.840    1.040    1.040  
assign (resid   3 and name  HB#)   (resid  43 and name  HD#)   2.615    0.815    0.815  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.690    0.890    0.890  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.815    1.015    1.015  
assign (resid   4 and name  HB#)   (resid  44 and name   HN)   2.840    1.040    1.040  
assign (resid   4 and name  HB#)   (resid  46 and name   HA)   3.125    1.325    1.325  
assign (resid   5 and name  HA#)   (resid   6 and name   HN)   2.395    0.595    0.595  
assign (resid   5 and name  HA#)   (resid  43 and name  HD#)   2.765    0.965    0.965  
assign (resid   6 and name   HN)   (resid   6 and name  HG#)   3.240    1.440    1.440  
assign (resid   6 and name   HA)   (resid   6 and name  HD#)   3.310    1.510    1.510  
assign (resid   6 and name   HA)   (resid   7 and name  HB#)   3.115    1.315    1.315  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.705    0.905    0.905  
assign (resid   6 and name  HB#)   (resid  44 and name  HD#)   2.845    1.045    1.045  
assign (resid   6 and name  HB#)   (resid  44 and name  HE#)   2.520    0.720    0.720  
assign (resid   6 and name  HG#)   (resid   6 and name  HD#)   2.070    0.270    0.270  
assign (resid   6 and name  HG#)   (resid   7 and name   HN)   3.215    1.415    1.415  
assign (resid   6 and name  HG#)   (resid  44 and name  HE#)   3.130    1.330    1.330  
assign (resid   6 and name  HD#)   (resid  44 and name  HE#)   2.775    0.975    0.975  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   3.080    1.280    1.280  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.480    0.680    0.680  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   2.905    1.105    1.105  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.740    0.940    0.940  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.540    0.740    0.740  
assign (resid  12 and name  HB#)   (resid  13 and name   HN)   3.090    1.290    1.290  
assign (resid  13 and name  HA#)   (resid  14 and name   HN)   2.455    0.655    0.655  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.455    0.655    0.655  
assign (resid  14 and name   HA)   (resid  14 and name  HG#)   2.755    0.955    0.955  
assign (resid  14 and name  HB#)   (resid  15 and name   HN)   2.685    0.885    0.885  
assign (resid  14 and name  HB#)   (resid  16 and name  HD#)   2.620    0.820    0.820  
assign (resid  14 and name  HG#)   (resid  15 and name   HN)   2.795    0.995    0.995  
assign (resid  14 and name  HG#)   (resid  16 and name  HD#)   3.145    1.345    1.345  
assign (resid  15 and name   HN)   (resid  38 and name  HA#)   3.270    1.470    1.470  
assign (resid  15 and name  HB#)   (resid  36 and name   HN)   3.540    1.740    1.740  
assign (resid  15 and name  HB#)   (resid  38 and name  HA#)   2.940    1.140    1.140  
assign (resid  15 and name  HB#)   (resid  39 and name   HN)   3.225    1.425    1.425  
assign (resid  15 and name  HB#)   (resid  39 and name   HA)   3.020    1.220    1.220  
assign (resid  15 and name  HB#)   (resid  40 and name   HN)   3.435    1.635    1.635  
assign (resid  16 and name  HB#)   (resid  19 and name   HN)   2.940    1.140    1.140  
assign (resid  17 and name  HB#)   (resid  17 and name  HD2)   2.590    0.790    0.790  
assign (resid  17 and name  HB#)   (resid  18 and name   HN)   2.650    0.850    0.850  
assign (resid  18 and name   HN)   (resid  18 and name  HB#)   2.620    0.820    0.820  
assign (resid  18 and name   HN)   (resid  18 and name  HG#)   3.030    1.230    1.230  
assign (resid  18 and name   HA)   (resid  18 and name  HD#)   3.235    1.435    1.435  
assign (resid  19 and name   HN)   (resid  19 and name  HB#)   2.460    0.660    0.660  
assign (resid  19 and name   HN)   (resid  19 and name  HG#)   3.175    1.375    1.375  
assign (resid  19 and name  HB#)   (resid  20 and name   HN)   2.835    1.035    1.035  
assign (resid  19 and name  HB#)   (resid  20 and name   HA)   3.190    1.390    1.390  
assign (resid  19 and name  HB#)   (resid  21 and name   HN)   3.480    1.680    1.680  
assign (resid  19 and name  HG#)   (resid  20 and name   HN)   3.355    1.555    1.555  
assign (resid  20 and name   HN)   (resid  20 and name  HB#)   2.440    0.640    0.640  
assign (resid  20 and name  HB#)   (resid  21 and name   HN)   2.705    0.905    0.905  
assign (resid  21 and name   HA)   (resid  24 and name  HB#)   3.070    1.270    1.270  
assign (resid  21 and name  HB1)   (resid  22 and name  HB#)   3.205    1.405    1.405  
assign (resid  22 and name   HN)   (resid  22 and name  HB#)   2.370    0.570    0.570  
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   2.690    0.890    0.890  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   2.500    0.700    0.700  
assign (resid  23 and name  HD1)   (resid  27 and name  HB#)   2.945    1.145    1.145  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.440    0.640    0.640  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   2.595    0.795    0.795  
assign (resid  24 and name  HB#)   (resid  30 and name  HB#)   2.455    0.655    0.655  
assign (resid  24 and name  HB#)   (resid  33 and name   HN)   3.285    1.485    1.485  
assign (resid  24 and name  HB#)   (resid  33 and name  HA2)   3.195    1.395    1.395  
assign (resid  24 and name  HB#)   (resid  33 and name  HA1)   2.850    1.050    1.050  
assign (resid  24 and name  HB#)   (resid  42 and name   HA)   3.095    1.295    1.295  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.550    0.750    0.750  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   2.780    0.980    0.980  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.425    0.625    0.625  
assign (resid  26 and name   HN)   (resid  26 and name  HG#)   3.095    1.295    1.295  
assign (resid  26 and name  HB#)   (resid  27 and name   HN)   2.730    0.930    0.930  
assign (resid  27 and name   HN)   (resid  27 and name  HB#)   2.605    0.805    0.805  
assign (resid  27 and name   HN)   (resid  27 and name  HG#)   2.970    1.170    1.170  
assign (resid  27 and name   HA)   (resid  27 and name  HD#)   2.800    1.000    1.000  
assign (resid  27 and name  HB#)   (resid  28 and name   HN)   2.775    0.975    0.975  
assign (resid  27 and name  HB#)   (resid  28 and name  HG#)   3.040    1.240    1.240  
assign (resid  27 and name  HD#)   (resid  28 and name  HG#)   3.490    1.690    1.690  
assign (resid  28 and name   HN)   (resid  28 and name  HG#)   3.125    1.325    1.325  
assign (resid  30 and name  HB#)   (resid  31 and name  HB#)   3.570    1.770    1.770  
assign (resid  30 and name  HB#)   (resid  31 and name  HG#)   3.570    1.770    1.770  
assign (resid  31 and name   HN)   (resid  31 and name  HB#)   2.585    0.785    0.785  
assign (resid  31 and name   HN)   (resid  31 and name  HG#)   2.925    1.125    1.125  
assign (resid  31 and name  HB#)   (resid  31 and name  HE#)   3.210    1.410    1.410  
assign (resid  31 and name  HB#)   (resid  32 and name   HN)   2.480    0.680    0.680  
assign (resid  31 and name  HB#)   (resid  32 and name  HE#)   3.185    1.385    1.385  
assign (resid  31 and name  HB#)   (resid  44 and name   HA)   3.130    1.330    1.330  
assign (resid  31 and name  HG#)   (resid  44 and name   HA)   3.165    1.365    1.365  
assign (resid  31 and name  HG#)   (resid  45 and name   HN)   3.125    1.325    1.325  
assign (resid  31 and name  HG#)   (resid  45 and name  HB#)   3.030    1.230    1.230  
assign (resid  31 and name  HD#)   (resid  32 and name  HD#)   3.270    1.470    1.470  
assign (resid  31 and name  HD#)   (resid  45 and name  HB#)   3.235    1.435    1.435  
assign (resid  32 and name  HD#)   (resid  34 and name  HB#)   2.940    1.140    1.140  
assign (resid  32 and name  HE#)   (resid  34 and name  HB#)   3.155    1.355    1.355  
assign (resid  34 and name   HN)   (resid  41 and name  HB#)   2.960    1.160    1.160  
assign (resid  34 and name  HB#)   (resid  35 and name   HN)   2.680    0.880    0.880  
assign (resid  34 and name  HB#)   (resid  43 and name  HE#)   2.775    0.975    0.975  
assign (resid  35 and name   HN)   (resid  35 and name  HB#)   2.595    0.795    0.795  
assign (resid  35 and name   HA)   (resid  36 and name  HB#)   3.215    1.415    1.415  
assign (resid  35 and name  HB#)   (resid  36 and name   HN)   2.980    1.180    1.180  
assign (resid  35 and name  HB#)   (resid  38 and name   HN)   3.090    1.290    1.290  
assign (resid  35 and name  HB#)   (resid  38 and name  HA#)   3.355    1.555    1.555  
assign (resid  36 and name   HN)   (resid  36 and name  HB#)   2.550    0.750    0.750  
assign (resid  36 and name   HN)   (resid  41 and name  HB#)   3.570    1.770    1.770  
assign (resid  36 and name  HB#)   (resid  41 and name  HD#)   2.745    0.945    0.945  
assign (resid  37 and name   HN)   (resid  37 and name  HB#)   2.645    0.845    0.845  
assign (resid  37 and name  HB#)   (resid  38 and name   HN)   2.915    1.115    1.115  
assign (resid  41 and name   HN)   (resid  41 and name  HB#)   2.585    0.785    0.785  
assign (resid  41 and name  HB#)   (resid  42 and name   HN)   2.970    1.170    1.170  
assign (resid  41 and name  HB#)   (resid  43 and name  HD#)   2.925    1.125    1.125  
assign (resid  41 and name  HB#)   (resid  43 and name  HE#)   2.445    0.645    0.645  
assign (resid  44 and name   HN)   (resid  44 and name  HB#)   2.565    0.765    0.765  
assign (resid  44 and name  HB#)   (resid  45 and name   HN)   2.435    0.635    0.635  
assign (resid  45 and name   HN)   (resid  45 and name  HB#)   2.615    0.815    0.815  
assign (resid  46 and name   HN)   (resid  46 and name  HB#)   2.465    0.665    0.665  
!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 -120.0   60.0 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -110.0   40.0 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0 -100.0   40.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  140.0   30.0 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -70.0   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  130.0   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  -90.0   50.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  -20.0   40.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0 -100.0   50.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  140.0   40.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 17    and name C    )    1.0 -100.0   80.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0  -90.0   50.0 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   50.0 2
assign (resid 17    and name C    ) (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    )    1.0  -70.0   50.0 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   30.0 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0  -70.0   50.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  -40.0   30.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0  -70.0   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  -40.0   30.0 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0 -100.0   80.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  -40.0   30.0 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0 -100.0   80.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  -35.0   35.0 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -80.0   40.0 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  -80.0   40.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    ) (resid 26    and name N    )    1.0  -40.0   30.0 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0  -70.0   50.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  -40.0   30.0 2
assign (resid 26    and name C    ) (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    )    1.0  -80.0   40.0 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    ) (resid 28    and name N    )    1.0  -30.0   30.0 2
assign (resid 27    and name C    ) (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    )    1.0 -100.0   40.0 2
assign (resid 28    and name C    ) (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    )    1.0   60.0   30.0 2
assign (resid 29    and name C    ) (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    )    1.0  -90.0   50.0 2
assign (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    ) (resid 31    and name N    )    1.0  150.0   30.0 2
assign (resid 30    and name C    ) (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    )    1.0  -70.0   30.0 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    ) (resid 32    and name N    )    1.0  -40.0   30.0 2
assign (resid 33    and name C    ) (resid 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name C    )    1.0 -120.0   40.0 2
assign (resid 34    and name C    ) (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    )    1.0 -110.0   50.0 2
assign (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    ) (resid 36    and name N    )    1.0  130.0   30.0 2
assign (resid 35    and name C    ) (resid 36    and name N    ) (resid 36    and name CA   ) (resid 36    and name C    )    1.0 -130.0   50.0 2
assign (resid 36    and name C    ) (resid 37    and name N    ) (resid 37    and name CA   ) (resid 37    and name C    )    1.0   60.0   30.0 2
assign (resid 37    and name C    ) (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name C    )    1.0   80.0   40.0 2
assign (resid 38    and name C    ) (resid 39    and name N    ) (resid 39    and name CA   ) (resid 39    and name C    )    1.0 -120.0   40.0 2
assign (resid 39    and name N    ) (resid 39    and name CA   ) (resid 39    and name C    ) (resid 40    and name N    )    1.0  140.0   30.0 2
assign (resid 39    and name C    ) (resid 40    and name N    ) (resid 40    and name CA   ) (resid 40    and name C    )    1.0  -80.0   30.0 2
assign (resid 40    and name N    ) (resid 40    and name CA   ) (resid 40    and name C    ) (resid 41    and name N    )    1.0  130.0   30.0 2
assign (resid 40    and name C    ) (resid 41    and name N    ) (resid 41    and name CA   ) (resid 41    and name C    )    1.0 -120.0   40.0 2
assign (resid 41    and name N    ) (resid 41    and name CA   ) (resid 41    and name C    ) (resid 42    and name N    )    1.0  140.0   40.0 2
assign (resid 41    and name C    ) (resid 42    and name N    ) (resid 42    and name CA   ) (resid 42    and name C    )    1.0 -105.0   35.0 2
assign (resid 42    and name N    ) (resid 42    and name CA   ) (resid 42    and name C    ) (resid 43    and name N    )    1.0  130.0   30.0 2
assign (resid 42    and name C    ) (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name C    )    1.0 -100.0   30.0 2
assign (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name C    ) (resid 44    and name N    )    1.0  140.0   30.0 2
assign (resid 43    and name C    ) (resid 44    and name N    ) (resid 44    and name CA   ) (resid 44    and name C    )    1.0 -130.0   30.0 2
assign (resid 44    and name C    ) (resid 45    and name N    ) (resid 45    and name CA   ) (resid 45    and name C    )    1.0 -100.0   80.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name CB   ) (resid 15    and name SG   )    1.0  180.0   30.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name CB   ) (resid 16    and name CG   )    1.0  -60.0   30.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name CB   ) (resid 23    and name CG   )    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
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name CB   ) (resid 27    and name CG   )    1.0 -120.0   90.0 2
assign (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name CB   ) (resid 28    and name CG   )    1.0  -60.0   30.0 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name CB   ) (resid 31    and name CG   )    1.0 -120.0   90.0 2
assign (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name CB   ) (resid 35    and name SG   )    1.0 -120.0   90.0 2
assign (resid 39    and name N    ) (resid 39    and name CA   ) (resid 39    and name CB   ) (resid 39    and name CG   )    1.0  -60.0   30.0 2
assign (resid 42    and name N    ) (resid 42    and name CA   ) (resid 42    and name CB   ) (resid 42    and name SG   )    1.0  -60.0   30.0 2
assign (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name CB   ) (resid 43    and name CG   )    1.0  -60.0   30.0 2
assign (resid 44    and name N    ) (resid 44    and name CA   ) (resid 44    and name CB   ) (resid 44    and name CG   )    1.0  -60.0   30.0 2
assign (resid 46    and name N    ) (resid 46    and name CA   ) (resid 46    and name CB   ) (resid 46    and name SG   )    1.0  -60.0   30.0 2
!hydrogen bond restraints
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 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 24    and name HN   ) (resid 20    and name O    )    0    0    2
assign (resid 24    and name N    ) (resid 20    and name O    )    0    0    3
assign (resid 25    and name HN   ) (resid 21    and name O    )    0    0    2
assign (resid 25    and name N    ) (resid 21    and name O    )    0    0    3
assign (resid 28    and name HN   ) (resid 24    and name O    )    0    0    2
assign (resid 28    and name N    ) (resid 24    and name O    )    0    0    3
assign (resid 31    and name HN   ) (resid 43    and name O    )    0    0    2
assign (resid 31    and name N    ) (resid 43    and name O    )    0    0    3
assign (resid 34    and name HN   ) (resid 41    and name O    )    0    0    2
assign (resid 34    and name N    ) (resid 41    and name O    )    0    0    3
assign (resid 36    and name HN   ) (resid 39    and name O    )    0    0    2
assign (resid 36    and name N    ) (resid 39    and name O    )    0    0    3
assign (resid 39    and name HN   ) (resid 36    and name O    )    0    0    2
assign (resid 39    and name N    ) (resid 36    and name O    )    0    0    3
assign (resid 41    and name HN   ) (resid 34    and name O    )    0    0    2
assign (resid 41    and name N    ) (resid 34    and name O    )    0    0    3
assign (resid 44    and name HN   ) (resid 4     and name O    )    0    0    2
assign (resid 44    and name N    ) (resid 4     and name O    )    0    0    3
assign (resid 43    and name HN   ) (resid 32    and name O    )    0    0    2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H        ALA   1 -11.552 -12.988   8.647
    2    HA   ALA   1           HA       ALA   1 -11.282 -10.931   7.618
    3    HB1  ALA   1          1HB       ALA   1  -8.483 -11.517   8.582
    4    HB2  ALA   1          2HB       ALA   1  -9.801 -10.868   9.561
    5    HB3  ALA   1          3HB       ALA   1  -9.141  -9.922   8.229
    6    H    LYS   2           H        LYS   2 -10.912 -10.018   5.720
    7    HA   LYS   2           HA       LYS   2  -9.341 -11.570   3.842
    8    HB2  LYS   2          2HB       LYS   2 -10.900 -10.547   2.119
    9    HB3  LYS   2          1HB       LYS   2 -11.567 -11.783   3.170
   10    HG2  LYS   2          2HG       LYS   2 -12.521  -9.934   4.590
   11    HG3  LYS   2          1HG       LYS   2 -12.006  -8.804   3.335
   12    HD2  LYS   2          2HD       LYS   2 -13.862 -11.144   2.905
   13    HD3  LYS   2          1HD       LYS   2 -14.379  -9.476   3.136
   14    HE2  LYS   2          2HE       LYS   2 -13.259  -8.794   1.123
   15    HE3  LYS   2          1HE       LYS   2 -12.551 -10.394   0.927
   16    HZ1  LYS   2          1HZ       LYS   2 -14.624 -11.312   0.431
   17    HZ2  LYS   2          2HZ       LYS   2 -14.530  -9.848  -0.447
   18    HZ3  LYS   2          3HZ       LYS   2 -15.469  -9.938   0.942
   19    H    HIS   3           H        HIS   3  -7.495 -10.651   3.597
   20    HA   HIS   3           HA       HIS   3  -7.293  -7.726   3.378
   21    HB2  HIS   3          2HB       HIS   3  -5.068  -9.707   3.956
   22    HB3  HIS   3          1HB       HIS   3  -4.982  -7.955   4.062
   23    HD1  HIS   3          1HD       HIS   3  -5.468 -10.900   6.104
   24    HD2  HIS   3          2HD       HIS   3  -6.686  -6.928   6.235
   25    HE1  HIS   3          1HE       HIS   3  -6.183 -10.479   8.475
   26    H    CYS   4           H        CYS   4  -7.381  -7.303   1.231
   27    HA   CYS   4           HA       CYS   4  -6.195  -9.210  -0.629
   28    HB2  CYS   4          2HB       CYS   4  -7.796  -6.710  -1.213
   29    HB3  CYS   4          1HB       CYS   4  -7.352  -7.962  -2.368
   30    H    GLY   5           H        GLY   5  -4.039  -8.926  -0.566
   31    HA2  GLY   5          2HA       GLY   5  -2.934  -6.249  -0.467
   32    HA3  GLY   5          1HA       GLY   5  -2.044  -7.755  -0.348
   33    H    LYS   6           H        LYS   6  -2.321  -5.152  -2.099
   34    HA   LYS   6           HA       LYS   6  -2.340  -5.926  -4.817
   35    HB2  LYS   6          2HB       LYS   6  -2.622  -3.622  -4.081
   36    HB3  LYS   6          1HB       LYS   6  -1.049  -3.650  -3.322
   37    HG2  LYS   6          2HG       LYS   6  -0.951  -2.325  -5.309
   38    HG3  LYS   6          1HG       LYS   6   0.000  -3.785  -5.559
   39    HD2  LYS   6          2HD       LYS   6  -1.806  -4.736  -6.892
   40    HD3  LYS   6          1HD       LYS   6  -2.812  -3.322  -6.565
   41    HE2  LYS   6          2HE       LYS   6  -0.172  -3.273  -8.029
   42    HE3  LYS   6          1HE       LYS   6  -1.758  -3.221  -8.793
   43    HZ1  LYS   6          1HZ       LYS   6  -2.181  -1.082  -7.678
   44    HZ2  LYS   6          2HZ       LYS   6  -0.792  -1.011  -8.586
   45    HZ3  LYS   6          3HZ       LYS   6  -0.670  -1.148  -6.932
   46    H    HIS   7           H        HIS   7  -0.674  -6.615  -6.102
   47    HA   HIS   7           HA       HIS   7   1.741  -7.562  -4.926
   48    HB2  HIS   7          2HB       HIS   7   0.816  -8.693  -6.901
   49    HB3  HIS   7          1HB       HIS   7   0.918  -7.199  -7.824
   50    HD1  HIS   7          1HD       HIS   7   2.723  -7.551  -9.535
   51    HD2  HIS   7          2HD       HIS   7   3.744  -9.102  -5.817
   52    HE1  HIS   7          1HE       HIS   7   5.078  -8.369  -9.756
   53    H    SER   8           H        SER   8   3.230  -6.192  -4.248
   54    HA   SER   8           HA       SER   8   3.267  -3.534  -5.144
   55    HB2  SER   8          2HB       SER   8   5.150  -4.979  -3.296
   56    HB3  SER   8          1HB       SER   8   5.052  -3.230  -3.524
   57    HG   SER   8           HG       SER   8   3.430  -3.190  -2.258
   58    H    LYS   9           H        LYS   9   3.630  -3.853  -7.311
   59    HA   LYS   9           HA       LYS   9   6.489  -4.061  -7.940
   60    HB2  LYS   9          2HB       LYS   9   5.825  -4.279 -10.299
   61    HB3  LYS   9          1HB       LYS   9   5.132  -5.558  -9.317
   62    HG2  LYS   9          2HG       LYS   9   2.983  -4.408  -9.349
   63    HG3  LYS   9          1HG       LYS   9   3.693  -3.099 -10.292
   64    HD2  LYS   9          2HD       LYS   9   3.681  -5.964 -11.236
   65    HD3  LYS   9          1HD       LYS   9   2.352  -4.866 -11.571
   66    HE2  LYS   9          2HE       LYS   9   3.773  -4.911 -13.511
   67    HE3  LYS   9          1HE       LYS   9   3.999  -3.360 -12.731
   68    HZ1  LYS   9          1HZ       LYS   9   6.154  -4.100 -11.906
   69    HZ2  LYS   9          2HZ       LYS   9   6.070  -4.402 -13.528
   70    HZ3  LYS   9          3HZ       LYS   9   5.881  -5.664 -12.455
   71    H    SER  10           H        SER  10   4.451  -1.946  -6.905
   72    HA   SER  10           HA       SER  10   5.070   0.258  -8.628
   73    HB2  SER  10          2HB       SER  10   3.771   1.452  -6.765
   74    HB3  SER  10          1HB       SER  10   2.868   0.251  -7.692
   75    HG   SER  10           HG       SER  10   4.117  -0.111  -5.186
   76    H    TRP  11           H        TRP  11   7.170   0.851  -8.456
   77    HA   TRP  11           HA       TRP  11   8.605   0.348  -6.051
   78    HB2  TRP  11          2HB       TRP  11   9.620   0.092  -8.339
   79    HB3  TRP  11          1HB       TRP  11   9.560   1.845  -8.501
   80    HD1  TRP  11           HD       TRP  11  11.306  -0.898  -6.482
   81    HE1  TRP  11          1HE       TRP  11  13.475   0.070  -5.458
   82    HE3  TRP  11          3HE       TRP  11  10.716   3.979  -7.854
   83    HZ2  TRP  11          2HZ       TRP  11  14.755   2.592  -5.292
   84    HZ3  TRP  11          3HZ       TRP  11  12.450   5.602  -7.233
   85    HH2  TRP  11           HH       TRP  11  14.421   4.921  -5.982
   86    H    ASN  12           H        ASN  12   9.307   1.733  -4.610
   87    HA   ASN  12           HA       ASN  12   8.782   4.577  -4.852
   88    HB2  ASN  12          2HB       ASN  12   6.816   3.600  -3.700
   89    HB3  ASN  12          1HB       ASN  12   7.881   2.795  -2.563
   90   HD21  ASN  12          1HD2      ASN  12   7.015   3.778  -0.793
   91   HD22  ASN  12          2HD2      ASN  12   7.195   5.462  -0.447
   92    H    GLY  13           H        GLY  13  10.245   5.729  -3.395
   93    HA2  GLY  13          2HA       GLY  13  12.795   4.523  -3.330
   94    HA3  GLY  13          1HA       GLY  13  12.364   6.066  -2.612
   95    H    LYS  14           H        LYS  14  11.203   5.918  -0.509
   96    HA   LYS  14           HA       LYS  14  12.373   3.729   1.068
   97    HB2  LYS  14          2HB       LYS  14  13.192   6.089   1.508
   98    HB3  LYS  14          1HB       LYS  14  11.551   6.458   2.023
   99    HG2  LYS  14          2HG       LYS  14  12.723   6.059   3.995
  100    HG3  LYS  14          1HG       LYS  14  11.788   4.594   3.707
  101    HD2  LYS  14          2HD       LYS  14  13.950   3.878   4.366
  102    HD3  LYS  14          1HD       LYS  14  13.872   3.640   2.622
  103    HE2  LYS  14          2HE       LYS  14  16.002   4.627   3.250
  104    HE3  LYS  14          1HE       LYS  14  15.072   5.765   2.285
  105    HZ1  LYS  14          1HZ       LYS  14  15.257   5.806   5.256
  106    HZ2  LYS  14          2HZ       LYS  14  14.479   6.967   4.306
  107    HZ3  LYS  14          3HZ       LYS  14  16.145   6.777   4.217
  108    H    CYS  15           H        CYS  15  10.977   2.601   2.361
  109    HA   CYS  15           HA       CYS  15   8.162   3.092   1.927
  110    HB2  CYS  15          2HB       CYS  15   9.106   0.810   1.707
  111    HB3  CYS  15          1HB       CYS  15   9.542   0.862   3.407
  112    H    PHE  16           H        PHE  16   6.878   4.042   3.345
  113    HA   PHE  16           HA       PHE  16   7.472   3.930   6.198
  114    HB2  PHE  16          2HB       PHE  16   6.583   6.400   4.665
  115    HB3  PHE  16          1HB       PHE  16   6.575   6.264   6.415
  116    HD1  PHE  16          1HD       PHE  16   8.475   7.121   3.519
  117    HD2  PHE  16          2HD       PHE  16   8.802   5.900   7.584
  118    HE1  PHE  16          1HE       PHE  16  10.780   7.971   3.590
  119    HE2  PHE  16          2HE       PHE  16  11.107   6.744   7.655
  120    HZ   PHE  16           HZ       PHE  16  12.097   7.781   5.665
  121    H    HIS  17           H        HIS  17   5.701   3.254   7.262
  122    HA   HIS  17           HA       HIS  17   3.502   2.160   6.017
  123    HB2  HIS  17          2HB       HIS  17   4.118   1.546   8.298
  124    HB3  HIS  17          1HB       HIS  17   3.703   3.156   8.866
  125    HD1  HIS  17          1HD       HIS  17   2.092  -0.085   7.787
  126    HD2  HIS  17          2HD       HIS  17   1.024   3.601   9.379
  127    HE1  HIS  17          1HE       HIS  17  -0.332  -0.297   8.491
  128    H    LYS  18           H        LYS  18   3.539   5.310   7.684
  129    HA   LYS  18           HA       LYS  18   0.839   5.911   7.217
  130    HB2  LYS  18          2HB       LYS  18   2.282   7.052   8.884
  131    HB3  LYS  18          1HB       LYS  18   3.126   7.854   7.571
  132    HG2  LYS  18          2HG       LYS  18   1.066   8.997   6.932
  133    HG3  LYS  18          1HG       LYS  18   0.203   8.184   8.239
  134    HD2  LYS  18          2HD       LYS  18   1.787   9.230   9.851
  135    HD3  LYS  18          1HD       LYS  18   2.499  10.125   8.514
  136    HE2  LYS  18          2HE       LYS  18  -0.370  10.283   9.430
  137    HE3  LYS  18          1HE       LYS  18   0.877  11.475   9.754
  138    HZ1  LYS  18          1HZ       LYS  18  -0.176  10.764   7.057
  139    HZ2  LYS  18          2HZ       LYS  18   1.013  11.932   7.377
  140    HZ3  LYS  18          3HZ       LYS  18  -0.550  12.120   7.966
  141    H    LYS  19           H        LYS  19   3.725   6.799   5.397
  142    HA   LYS  19           HA       LYS  19   2.275   8.309   3.472
  143    HB2  LYS  19          2HB       LYS  19   5.089   7.235   3.414
  144    HB3  LYS  19          1HB       LYS  19   4.414   8.302   2.188
  145    HG2  LYS  19          2HG       LYS  19   4.022  10.017   3.863
  146    HG3  LYS  19          1HG       LYS  19   4.673   8.953   5.110
  147    HD2  LYS  19          2HD       LYS  19   6.833   8.967   4.044
  148    HD3  LYS  19          1HD       LYS  19   6.192   9.913   2.699
  149    HE2  LYS  19          2HE       LYS  19   7.414  11.342   4.237
  150    HE3  LYS  19          1HE       LYS  19   5.707  11.752   4.221
  151    HZ1  LYS  19          1HZ       LYS  19   6.677  11.728   6.437
  152    HZ2  LYS  19          2HZ       LYS  19   7.013  10.087   6.314
  153    HZ3  LYS  19          3HZ       LYS  19   5.415  10.626   6.317
  154    H    CYS  20           H        CYS  20   3.263   4.981   3.684
  155    HA   CYS  20           HA       CYS  20   2.664   4.217   1.038
  156    HB2  CYS  20          2HB       CYS  20   3.937   2.788   2.604
  157    HB3  CYS  20          1HB       CYS  20   2.513   2.629   3.620
  158    H    ASN  21           H        ASN  21   0.812   4.354   4.036
  159    HA   ASN  21           HA       ASN  21  -1.614   3.301   3.185
  160    HB2  ASN  21          2HB       ASN  21  -0.900   3.837   5.544
  161    HB3  ASN  21          1HB       ASN  21  -1.209   5.531   5.186
  162   HD21  ASN  21          1HD2      ASN  21  -3.387   6.223   4.929
  163   HD22  ASN  21          2HD2      ASN  21  -4.670   5.219   5.475
  164    H    HIS  22           H        HIS  22  -0.545   6.653   3.410
  165    HA   HIS  22           HA       HIS  22  -2.763   7.899   2.256
  166    HB2  HIS  22          2HB       HIS  22   0.118   8.728   2.431
  167    HB3  HIS  22          1HB       HIS  22  -1.052   9.715   1.575
  168    HD1  HIS  22          1HD       HIS  22  -2.268  11.387   2.975
  169    HD2  HIS  22          2HD       HIS  22  -0.584   8.345   5.239
  170    HE1  HIS  22          1HE       HIS  22  -2.595  12.059   5.383
  171    H    TRP  23           H        TRP  23   0.269   6.892   0.667
  172    HA   TRP  23           HA       TRP  23  -0.435   7.763  -1.882
  173    HB2  TRP  23          2HB       TRP  23   1.864   7.159  -1.335
  174    HB3  TRP  23          1HB       TRP  23   1.403   5.463  -1.168
  175    HD1  TRP  23           HD       TRP  23   1.265   4.034  -3.378
  176    HE1  TRP  23          1HE       TRP  23   1.732   4.520  -5.859
  177    HE3  TRP  23          3HE       TRP  23   1.763   9.110  -3.115
  178    HZ2  TRP  23          2HZ       TRP  23   2.251   6.796  -7.503
  179    HZ3  TRP  23          3HZ       TRP  23   2.250  10.361  -5.175
  180    HH2  TRP  23           HH       TRP  23   2.484   9.224  -7.313
  181    H    CYS  24           H        CYS  24  -0.682   4.475  -0.540
  182    HA   CYS  24           HA       CYS  24  -1.841   3.313  -2.769
  183    HB2  CYS  24          2HB       CYS  24  -2.001   2.629   0.149
  184    HB3  CYS  24          1HB       CYS  24  -2.723   1.605  -1.077
  185    H    MET  25           H        MET  25  -3.408   4.941  -0.052
  186    HA   MET  25           HA       MET  25  -6.066   4.365  -0.711
  187    HB2  MET  25          2HB       MET  25  -5.351   5.243   1.456
  188    HB3  MET  25          1HB       MET  25  -4.871   6.754   0.706
  189    HG2  MET  25          2HG       MET  25  -7.192   7.212   0.133
  190    HG3  MET  25          1HG       MET  25  -7.672   5.678   0.859
  191    HE1  MET  25          1HE       MET  25  -5.861   5.526   3.477
  192    HE2  MET  25          2HE       MET  25  -7.583   5.157   3.434
  193    HE3  MET  25          3HE       MET  25  -6.950   6.267   4.648
  194    H    GLU  26           H        GLU  26  -3.995   7.084  -1.549
  195    HA   GLU  26           HA       GLU  26  -5.925   8.560  -3.030
  196    HB2  GLU  26          2HB       GLU  26  -3.939   9.487  -1.897
  197    HB3  GLU  26          1HB       GLU  26  -2.914   8.642  -3.040
  198    HG2  GLU  26          2HG       GLU  26  -4.057   9.954  -4.844
  199    HG3  GLU  26          1HG       GLU  26  -4.773  10.929  -3.556
  200    H    LYS  27           H        LYS  27  -3.369   6.315  -3.828
  201    HA   LYS  27           HA       LYS  27  -3.272   6.654  -6.605
  202    HB2  LYS  27          2HB       LYS  27  -1.422   5.766  -5.336
  203    HB3  LYS  27          1HB       LYS  27  -2.377   4.394  -4.829
  204    HG2  LYS  27          2HG       LYS  27  -0.735   3.793  -6.511
  205    HG3  LYS  27          1HG       LYS  27  -2.366   3.523  -7.100
  206    HD2  LYS  27          2HD       LYS  27  -2.259   5.574  -8.397
  207    HD3  LYS  27          1HD       LYS  27  -0.665   5.936  -7.730
  208    HE2  LYS  27          2HE       LYS  27  -0.504   4.982  -9.982
  209    HE3  LYS  27          1HE       LYS  27   0.252   3.944  -8.777
  210    HZ1  LYS  27          1HZ       LYS  27  -1.050   2.696 -10.364
  211    HZ2  LYS  27          2HZ       LYS  27  -2.433   3.540  -9.991
  212    HZ3  LYS  27          3HZ       LYS  27  -1.737   2.505  -8.840
  213    H    GLU  28           H        GLU  28  -4.805   4.007  -4.723
  214    HA   GLU  28           HA       GLU  28  -6.446   3.434  -7.104
  215    HB2  GLU  28          2HB       GLU  28  -4.507   1.569  -5.805
  216    HB3  GLU  28          1HB       GLU  28  -5.903   0.930  -6.656
  217    HG2  GLU  28          2HG       GLU  28  -5.198   1.860  -8.700
  218    HG3  GLU  28          1HG       GLU  28  -4.004   2.880  -7.923
  219    H    ASP  29           H        ASP  29  -6.946   4.501  -4.423
  220    HA   ASP  29           HA       ASP  29  -8.343   4.357  -2.682
  221    HB2  ASP  29          2HB       ASP  29 -10.016   4.312  -4.575
  222    HB3  ASP  29          1HB       ASP  29 -10.030   2.558  -4.458
  223    H    ALA  30           H        ALA  30  -6.414   3.039  -2.062
  224    HA   ALA  30           HA       ALA  30  -7.162   0.334  -1.348
  225    HB1  ALA  30          1HB       ALA  30  -4.929   0.173  -0.376
  226    HB2  ALA  30          2HB       ALA  30  -4.682   1.893  -0.685
  227    HB3  ALA  30          3HB       ALA  30  -4.848   0.771  -2.039
  228    H    LYS  31           H        LYS  31  -7.331  -0.294   0.738
  229    HA   LYS  31           HA       LYS  31  -8.847   1.567   2.318
  230    HB2  LYS  31          2HB       LYS  31  -7.785  -1.144   3.083
  231    HB3  LYS  31          1HB       LYS  31  -9.054  -0.263   3.909
  232    HG2  LYS  31          2HG       LYS  31  -9.163  -1.520   1.175
  233    HG3  LYS  31          1HG       LYS  31  -9.988  -2.062   2.632
  234    HD2  LYS  31          2HD       LYS  31 -11.662  -1.014   1.682
  235    HD3  LYS  31          1HD       LYS  31 -11.000   0.382   2.518
  236    HE2  LYS  31          2HE       LYS  31  -9.679   0.951   0.428
  237    HE3  LYS  31          1HE       LYS  31 -10.547  -0.324  -0.404
  238    HZ1  LYS  31          1HZ       LYS  31 -11.517   1.813  -0.881
  239    HZ2  LYS  31          2HZ       LYS  31 -11.714   2.152   0.741
  240    HZ3  LYS  31          3HZ       LYS  31 -12.616   0.905   0.025
  241    H    TYR  32           H        TYR  32  -5.724   0.070   2.468
  242    HA   TYR  32           HA       TYR  32  -4.637   2.139   4.036
  243    HB2  TYR  32          2HB       TYR  32  -3.883   0.589   5.873
  244    HB3  TYR  32          1HB       TYR  32  -5.607   0.926   5.882
  245    HD1  TYR  32          1HD       TYR  32  -3.062  -1.615   5.705
  246    HD2  TYR  32          2HD       TYR  32  -7.190  -0.851   5.026
  247    HE1  TYR  32          1HE       TYR  32  -3.507  -4.014   5.720
  248    HE2  TYR  32          2HE       TYR  32  -7.671  -3.203   5.022
  249    HH   TYR  32           HH       TYR  32  -6.411  -5.315   4.609
  250    H    GLY  33           H        GLY  33  -2.317   1.591   4.434
  251    HA2  GLY  33          2HA       GLY  33  -1.275  -0.214   2.385
  252    HA3  GLY  33          1HA       GLY  33  -0.607   1.406   2.623
  253    H    SER  34           H        SER  34   0.490  -1.359   3.047
  254    HA   SER  34           HA       SER  34   1.381  -0.879   5.790
  255    HB2  SER  34          2HB       SER  34  -0.310  -2.715   5.760
  256    HB3  SER  34          1HB       SER  34   0.695  -3.583   4.604
  257    HG   SER  34           HG       SER  34   1.263  -2.922   7.278
  258    H    CYS  35           H        CYS  35   3.548  -1.474   6.153
  259    HA   CYS  35           HA       CYS  35   5.069  -1.697   3.693
  260    HB2  CYS  35          2HB       CYS  35   5.554   0.091   5.526
  261    HB3  CYS  35          1HB       CYS  35   6.189  -1.282   6.442
  262    H    SER  36           H        SER  36   5.705  -3.617   3.166
  263    HA   SER  36           HA       SER  36   6.379  -5.521   5.253
  264    HB2  SER  36          2HB       SER  36   4.034  -5.961   4.430
  265    HB3  SER  36          1HB       SER  36   4.694  -6.180   2.813
  266    HG   SER  36           HG       SER  36   5.394  -7.691   5.103
  267    H    HIS  37           H        HIS  37   8.301  -6.348   4.839
  268    HA   HIS  37           HA       HIS  37  10.270  -6.890   3.877
  269    HB2  HIS  37          2HB       HIS  37   8.806  -6.698   1.217
  270    HB3  HIS  37          1HB       HIS  37  10.415  -7.360   1.437
  271    HD1  HIS  37          1HD       HIS  37  10.501  -9.692   2.794
  272    HD2  HIS  37          2HD       HIS  37   6.760  -8.383   1.563
  273    HE1  HIS  37          1HE       HIS  37   8.979 -11.696   2.969
  274    H    GLY  38           H        GLY  38   9.161  -4.011   4.125
  275    HA2  GLY  38          2HA       GLY  38  10.176  -1.968   3.842
  276    HA3  GLY  38          1HA       GLY  38  11.429  -2.752   2.882
  277    H    ASP  39           H        ASP  39   8.251  -3.526   1.978
  278    HA   ASP  39           HA       ASP  39   8.309  -1.553  -0.170
  279    HB2  ASP  39          2HB       ASP  39   7.426  -4.433  -0.249
  280    HB3  ASP  39          1HB       ASP  39   6.807  -3.269  -1.405
  281    H    CYS  40           H        CYS  40   6.390  -0.743  -0.842
  282    HA   CYS  40           HA       CYS  40   4.434  -0.439   1.247
  283    HB2  CYS  40          2HB       CYS  40   5.262   1.515   0.024
  284    HB3  CYS  40          1HB       CYS  40   4.711   0.819  -1.491
  285    H    TYR  41           H        TYR  41   2.924  -1.970   1.382
  286    HA   TYR  41           HA       TYR  41   1.860  -3.167  -1.060
  287    HB2  TYR  41          2HB       TYR  41   1.960  -4.100   1.792
  288    HB3  TYR  41          1HB       TYR  41   0.784  -4.769   0.673
  289    HD1  TYR  41          1HD       TYR  41   1.378  -6.495  -0.775
  290    HD2  TYR  41          2HD       TYR  41   4.458  -4.307   1.193
  291    HE1  TYR  41          1HE       TYR  41   3.026  -8.117  -1.562
  292    HE2  TYR  41          2HE       TYR  41   6.105  -5.928   0.419
  293    HH   TYR  41           HH       TYR  41   5.390  -8.252  -1.974
  294    H    CYS  42           H        CYS  42   0.024  -2.479  -1.738
  295    HA   CYS  42           HA       CYS  42  -1.657  -0.824  -0.047
  296    HB2  CYS  42          2HB       CYS  42  -2.045  -1.618  -2.943
  297    HB3  CYS  42          1HB       CYS  42  -2.868  -0.326  -2.088
  298    H    TYR  43           H        TYR  43  -3.542  -1.577   0.868
  299    HA   TYR  43           HA       TYR  43  -4.343  -4.241  -0.006
  300    HB2  TYR  43          2HB       TYR  43  -4.535  -2.976   2.715
  301    HB3  TYR  43          1HB       TYR  43  -5.419  -4.435   2.280
  302    HD1  TYR  43          1HD       TYR  43  -1.976  -3.035   2.432
  303    HD2  TYR  43          2HD       TYR  43  -4.403  -6.517   2.449
  304    HE1  TYR  43          1HE       TYR  43  -0.022  -4.368   2.926
  305    HE2  TYR  43          2HE       TYR  43  -2.443  -7.889   2.963
  306    HH   TYR  43           HH       TYR  43  -0.013  -7.765   2.700
  307    H    TYR  44           H        TYR  44  -6.168  -4.556  -0.819
  308    HA   TYR  44           HA       TYR  44  -8.129  -2.365  -0.874
  309    HB2  TYR  44          2HB       TYR  44  -7.894  -4.733  -2.743
  310    HB3  TYR  44          1HB       TYR  44  -8.917  -3.321  -2.953
  311    HD1  TYR  44          1HD       TYR  44  -6.041  -4.818  -4.068
  312    HD2  TYR  44          2HD       TYR  44  -7.472  -1.035  -2.807
  313    HE1  TYR  44          1HE       TYR  44  -4.245  -3.751  -5.298
  314    HE2  TYR  44          2HE       TYR  44  -5.697   0.076  -4.009
  315    HH   TYR  44           HH       TYR  44  -3.461  -0.410  -4.954
  316    H    HIS  45           H        HIS  45 -10.401  -3.475  -1.349
  317    HA   HIS  45           HA       HIS  45 -10.653  -5.753   0.454
  318    HB2  HIS  45          2HB       HIS  45 -11.432  -3.586   1.508
  319    HB3  HIS  45          1HB       HIS  45 -12.641  -3.475   0.236
  320    HD1  HIS  45          1HD       HIS  45 -11.948  -5.094   3.493
  321    HD2  HIS  45          2HD       HIS  45 -14.671  -5.473   0.375
  322    HE1  HIS  45          1HE       HIS  45 -13.850  -6.492   4.389
  323    H    CYS  46           H        CYS  46 -11.150  -7.356  -0.813
  324    HA   CYS  46           HA       CYS  46 -12.214  -7.110  -3.390
  325    HB2  CYS  46          2HB       CYS  46 -11.976  -9.520  -1.597
  326    HB3  CYS  46          1HB       CYS  46 -12.246  -9.554  -3.338
  Start of MODEL    2
    1    H1   ALA   1           H        ALA   1 -15.201 -10.452   6.733
    2    HA   ALA   1           HA       ALA   1 -14.332  -9.728   4.324
    3    HB1  ALA   1          1HB       ALA   1 -13.074  -7.899   5.330
    4    HB2  ALA   1          2HB       ALA   1 -13.071  -8.742   6.879
    5    HB3  ALA   1          3HB       ALA   1 -14.591  -8.168   6.189
    6    H    LYS   2           H        LYS   2 -12.430  -9.624   3.138
    7    HA   LYS   2           HA       LYS   2 -10.094 -10.907   4.235
    8    HB2  LYS   2          2HB       LYS   2  -9.833 -12.338   2.183
    9    HB3  LYS   2          1HB       LYS   2 -11.132 -12.799   3.263
   10    HG2  LYS   2          2HG       LYS   2 -12.729 -11.652   1.719
   11    HG3  LYS   2          1HG       LYS   2 -11.382 -11.403   0.602
   12    HD2  LYS   2          2HD       LYS   2 -11.003 -13.816   0.512
   13    HD3  LYS   2          1HD       LYS   2 -12.320 -14.072   1.648
   14    HE2  LYS   2          2HE       LYS   2 -13.093 -14.551  -0.577
   15    HE3  LYS   2          1HE       LYS   2 -13.880 -13.091   0.004
   16    HZ1  LYS   2          1HZ       LYS   2 -12.493 -11.751  -1.379
   17    HZ2  LYS   2          2HZ       LYS   2 -13.059 -13.029  -2.320
   18    HZ3  LYS   2          3HZ       LYS   2 -11.488 -13.070  -1.736
   19    H    HIS   3           H        HIS   3  -8.402  -9.775   3.857
   20    HA   HIS   3           HA       HIS   3  -8.556  -7.574   2.000
   21    HB2  HIS   3          2HB       HIS   3  -6.486  -8.305   4.068
   22    HB3  HIS   3          1HB       HIS   3  -6.348  -6.922   2.991
   23    HD1  HIS   3          1HD       HIS   3  -7.579  -7.838   6.271
   24    HD2  HIS   3          2HD       HIS   3  -8.603  -5.068   3.345
   25    HE1  HIS   3          1HE       HIS   3  -8.914  -6.060   7.444
   26    H    CYS   4           H        CYS   4  -7.293  -7.232   0.344
   27    HA   CYS   4           HA       CYS   4  -5.541  -9.399  -0.551
   28    HB2  CYS   4          2HB       CYS   4  -7.318  -7.535  -2.127
   29    HB3  CYS   4          1HB       CYS   4  -6.174  -8.662  -2.855
   30    H    GLY   5           H        GLY   5  -3.532  -8.723  -0.328
   31    HA2  GLY   5          2HA       GLY   5  -2.909  -5.912  -0.389
   32    HA3  GLY   5          1HA       GLY   5  -1.796  -7.231  -0.049
   33    H    LYS   6           H        LYS   6  -2.572  -4.936  -2.191
   34    HA   LYS   6           HA       LYS   6  -1.999  -6.352  -4.592
   35    HB2  LYS   6          2HB       LYS   6  -3.401  -4.384  -4.589
   36    HB3  LYS   6          1HB       LYS   6  -2.061  -3.440  -3.929
   37    HG2  LYS   6          2HG       LYS   6  -0.970  -3.352  -5.965
   38    HG3  LYS   6          1HG       LYS   6  -1.829  -4.762  -6.601
   39    HD2  LYS   6          2HD       LYS   6  -3.876  -3.517  -6.771
   40    HD3  LYS   6          1HD       LYS   6  -3.166  -2.140  -5.938
   41    HE2  LYS   6          2HE       LYS   6  -2.018  -3.154  -8.503
   42    HE3  LYS   6          1HE       LYS   6  -3.412  -2.078  -8.507
   43    HZ1  LYS   6          1HZ       LYS   6  -0.786  -1.464  -7.236
   44    HZ2  LYS   6          2HZ       LYS   6  -2.132  -0.463  -7.292
   45    HZ3  LYS   6          3HZ       LYS   6  -1.325  -0.835  -8.708
   46    H    HIS   7           H        HIS   7  -0.182  -6.883  -5.251
   47    HA   HIS   7           HA       HIS   7   2.048  -6.799  -3.620
   48    HB2  HIS   7          2HB       HIS   7   1.751  -7.653  -6.494
   49    HB3  HIS   7          1HB       HIS   7   3.153  -7.954  -5.480
   50    HD1  HIS   7          1HD       HIS   7  -0.281  -9.180  -6.182
   51    HD2  HIS   7          2HD       HIS   7   2.754  -9.907  -3.443
   52    HE1  HIS   7          1HE       HIS   7  -0.888 -11.344  -5.018
   53    H    SER   8           H        SER   8   3.932  -5.781  -3.764
   54    HA   SER   8           HA       SER   8   3.948  -3.211  -4.910
   55    HB2  SER   8          2HB       SER   8   5.090  -3.634  -2.824
   56    HB3  SER   8          1HB       SER   8   6.104  -4.858  -3.583
   57    HG   SER   8           HG       SER   8   7.399  -3.223  -3.751
   58    H    LYS   9           H        LYS   9   5.204  -2.464  -6.537
   59    HA   LYS   9           HA       LYS   9   5.775  -4.294  -8.719
   60    HB2  LYS   9          2HB       LYS   9   6.216  -1.321  -8.496
   61    HB3  LYS   9          1HB       LYS   9   6.204  -2.261  -9.978
   62    HG2  LYS   9          2HG       LYS   9   3.830  -2.719  -9.687
   63    HG3  LYS   9          1HG       LYS   9   3.844  -1.846  -8.157
   64    HD2  LYS   9          2HD       LYS   9   4.415  -0.659 -10.884
   65    HD3  LYS   9          1HD       LYS   9   2.930  -0.471  -9.955
   66    HE2  LYS   9          2HE       LYS   9   4.250   0.646  -8.158
   67    HE3  LYS   9          1HE       LYS   9   5.676   0.522  -9.180
   68    HZ1  LYS   9          1HZ       LYS   9   4.545   1.911 -10.833
   69    HZ2  LYS   9          2HZ       LYS   9   4.708   2.678  -9.353
   70    HZ3  LYS   9          3HZ       LYS   9   3.214   2.055  -9.794
   71    H    SER  10           H        SER  10   7.294  -3.091  -6.027
   72    HA   SER  10           HA       SER  10   9.338  -2.933  -5.209
   73    HB2  SER  10          2HB       SER  10  10.232  -4.304  -7.761
   74    HB3  SER  10          1HB       SER  10  11.249  -4.050  -6.340
   75    HG   SER  10           HG       SER  10   9.125  -5.812  -6.748
   76    H    TRP  11           H        TRP  11  11.638  -1.945  -5.850
   77    HA   TRP  11           HA       TRP  11  12.784  -0.151  -6.448
   78    HB2  TRP  11          2HB       TRP  11  10.988  -0.296  -8.849
   79    HB3  TRP  11          1HB       TRP  11  12.218   0.959  -8.689
   80    HD1  TRP  11           HD       TRP  11  11.833  -2.826  -9.174
   81    HE1  TRP  11          1HE       TRP  11  14.073  -3.769 -10.003
   82    HE3  TRP  11          3HE       TRP  11  14.685   1.382  -8.722
   83    HZ2  TRP  11          2HZ       TRP  11  16.720  -2.833 -10.422
   84    HZ3  TRP  11          3HZ       TRP  11  17.052   1.278  -9.362
   85    HH2  TRP  11           HH       TRP  11  18.045  -0.794 -10.193
   86    H    ASN  12           H        ASN  12  10.229   0.061  -4.898
   87    HA   ASN  12           HA       ASN  12   9.337   2.704  -5.419
   88    HB2  ASN  12          2HB       ASN  12   8.232   2.652  -3.147
   89    HB3  ASN  12          1HB       ASN  12   7.752   1.349  -4.203
   90   HD21  ASN  12          1HD2      ASN  12  10.788   1.283  -2.302
   91   HD22  ASN  12          2HD2      ASN  12  10.252   0.037  -1.232
   92    H    GLY  13           H        GLY  13   9.966   4.606  -4.712
   93    HA2  GLY  13          2HA       GLY  13  12.668   5.024  -4.234
   94    HA3  GLY  13          1HA       GLY  13  11.417   6.214  -3.922
   95    H    LYS  14           H        LYS  14  10.036   5.163  -1.887
   96    HA   LYS  14           HA       LYS  14  11.805   4.062   0.083
   97    HB2  LYS  14          2HB       LYS  14  12.054   6.489   0.417
   98    HB3  LYS  14          1HB       LYS  14  10.299   6.639   0.546
   99    HG2  LYS  14          2HG       LYS  14  10.338   5.252   2.553
  100    HG3  LYS  14          1HG       LYS  14  12.088   5.106   2.412
  101    HD2  LYS  14          2HD       LYS  14  12.296   7.542   2.671
  102    HD3  LYS  14          1HD       LYS  14  10.542   7.667   2.826
  103    HE2  LYS  14          2HE       LYS  14  10.636   6.233   4.822
  104    HE3  LYS  14          1HE       LYS  14  12.390   6.162   4.673
  105    HZ1  LYS  14          1HZ       LYS  14  10.758   8.583   5.200
  106    HZ2  LYS  14          2HZ       LYS  14  12.409   8.594   4.910
  107    HZ3  LYS  14          3HZ       LYS  14  11.816   7.820   6.275
  108    H    CYS  15           H        CYS  15  10.697   2.697   1.294
  109    HA   CYS  15           HA       CYS  15   7.901   2.374   0.777
  110    HB2  CYS  15          2HB       CYS  15   9.345   0.403   1.019
  111    HB3  CYS  15          1HB       CYS  15   9.738   0.895   2.662
  112    H    PHE  16           H        PHE  16   7.040   4.228   1.567
  113    HA   PHE  16           HA       PHE  16   7.428   5.109   4.260
  114    HB2  PHE  16          2HB       PHE  16   5.367   5.856   2.186
  115    HB3  PHE  16          1HB       PHE  16   5.472   6.583   3.775
  116    HD1  PHE  16          1HD       PHE  16   7.191   8.170   4.289
  117    HD2  PHE  16          2HD       PHE  16   7.005   6.336   0.455
  118    HE1  PHE  16          1HE       PHE  16   8.687   9.892   3.397
  119    HE2  PHE  16          2HE       PHE  16   8.504   8.050  -0.438
  120    HZ   PHE  16           HZ       PHE  16   9.349   9.840   1.038
  121    H    HIS  17           H        HIS  17   5.924   4.965   5.920
  122    HA   HIS  17           HA       HIS  17   4.102   2.731   5.664
  123    HB2  HIS  17          2HB       HIS  17   5.553   2.866   7.689
  124    HB3  HIS  17          1HB       HIS  17   4.783   4.384   8.122
  125    HD1  HIS  17          1HD       HIS  17   4.311   0.666   8.351
  126    HD2  HIS  17          2HD       HIS  17   2.106   4.132   9.058
  127    HE1  HIS  17          1HE       HIS  17   2.339  -0.028   9.725
  128    H    LYS  18           H        LYS  18   3.760   5.934   7.228
  129    HA   LYS  18           HA       LYS  18   0.941   5.817   6.901
  130    HB2  LYS  18          2HB       LYS  18   1.984   6.918   8.831
  131    HB3  LYS  18          1HB       LYS  18   2.660   8.146   7.768
  132    HG2  LYS  18          2HG       LYS  18   0.413   8.870   7.174
  133    HG3  LYS  18          1HG       LYS  18  -0.271   7.629   8.216
  134    HD2  LYS  18          2HD       LYS  18   0.830   8.669  10.148
  135    HD3  LYS  18          1HD       LYS  18   1.472   9.928   9.095
  136    HE2  LYS  18          2HE       LYS  18  -0.509  10.740  10.243
  137    HE3  LYS  18          1HE       LYS  18  -0.828  10.603   8.519
  138    HZ1  LYS  18          1HZ       LYS  18  -1.677   8.628  10.584
  139    HZ2  LYS  18          2HZ       LYS  18  -2.033   8.535   8.934
  140    HZ3  LYS  18          3HZ       LYS  18  -2.666   9.773   9.858
  141    H    LYS  19           H        LYS  19   3.501   7.614   5.272
  142    HA   LYS  19           HA       LYS  19   1.791   9.260   3.737
  143    HB2  LYS  19          2HB       LYS  19   4.585   8.324   3.072
  144    HB3  LYS  19          1HB       LYS  19   3.723   9.583   2.216
  145    HG2  LYS  19          2HG       LYS  19   4.423   9.701   5.139
  146    HG3  LYS  19          1HG       LYS  19   5.395  10.407   3.852
  147    HD2  LYS  19          2HD       LYS  19   2.532  11.143   4.498
  148    HD3  LYS  19          1HD       LYS  19   3.951  12.055   4.999
  149    HE2  LYS  19          2HE       LYS  19   4.531  12.347   2.578
  150    HE3  LYS  19          1HE       LYS  19   3.002  11.572   2.171
  151    HZ1  LYS  19          1HZ       LYS  19   1.854  13.349   3.390
  152    HZ2  LYS  19          2HZ       LYS  19   2.743  13.929   2.098
  153    HZ3  LYS  19          3HZ       LYS  19   3.337  14.107   3.673
  154    H    CYS  20           H        CYS  20   3.213   6.097   3.008
  155    HA   CYS  20           HA       CYS  20   2.077   5.991   0.386
  156    HB2  CYS  20          2HB       CYS  20   4.128   4.692   1.008
  157    HB3  CYS  20          1HB       CYS  20   3.145   3.691   2.069
  158    H    ASN  21           H        ASN  21   1.145   4.911   3.587
  159    HA   ASN  21           HA       ASN  21  -1.071   3.353   2.992
  160    HB2  ASN  21          2HB       ASN  21  -0.164   3.512   5.245
  161    HB3  ASN  21          1HB       ASN  21  -0.568   5.221   5.316
  162   HD21  ASN  21          1HD2      ASN  21  -2.674   5.826   5.788
  163   HD22  ASN  21          2HD2      ASN  21  -3.844   4.679   6.300
  164    H    HIS  22           H        HIS  22  -0.912   6.839   3.659
  165    HA   HIS  22           HA       HIS  22  -3.645   7.251   3.058
  166    HB2  HIS  22          2HB       HIS  22  -1.363   9.175   3.433
  167    HB3  HIS  22          1HB       HIS  22  -2.976   9.710   2.968
  168    HD1  HIS  22          1HD       HIS  22  -4.588  10.114   4.859
  169    HD2  HIS  22          2HD       HIS  22  -1.329   7.805   5.980
  170    HE1  HIS  22          1HE       HIS  22  -4.834   9.728   7.337
  171    H    TRP  23           H        TRP  23  -0.743   7.365   1.146
  172    HA   TRP  23           HA       TRP  23  -1.786   8.595  -1.143
  173    HB2  TRP  23          2HB       TRP  23   0.620   8.172  -0.917
  174    HB3  TRP  23          1HB       TRP  23   0.334   6.438  -0.899
  175    HD1  TRP  23           HD       TRP  23   0.102   5.217  -3.217
  176    HE1  TRP  23          1HE       TRP  23   0.398   5.962  -5.659
  177    HE3  TRP  23          3HE       TRP  23   0.254  10.271  -2.503
  178    HZ2  TRP  23          2HZ       TRP  23   0.665   8.375  -7.094
  179    HZ3  TRP  23          3HZ       TRP  23   0.532  11.729  -4.468
  180    HH2  TRP  23           HH       TRP  23   0.734  10.791  -6.712
  181    H    CYS  24           H        CYS  24  -1.387   5.110  -0.495
  182    HA   CYS  24           HA       CYS  24  -2.890   4.233  -2.666
  183    HB2  CYS  24          2HB       CYS  24  -2.138   3.000  -0.072
  184    HB3  CYS  24          1HB       CYS  24  -3.171   2.104  -1.160
  185    H    MET  25           H        MET  25  -3.919   4.980   0.623
  186    HA   MET  25           HA       MET  25  -6.494   3.923   0.446
  187    HB2  MET  25          2HB       MET  25  -5.406   4.484   2.573
  188    HB3  MET  25          1HB       MET  25  -5.502   6.190   2.170
  189    HG2  MET  25          2HG       MET  25  -7.900   6.150   2.315
  190    HG3  MET  25          1HG       MET  25  -7.889   4.400   2.501
  191    HE1  MET  25          1HE       MET  25  -6.922   7.826   4.168
  192    HE2  MET  25          2HE       MET  25  -5.395   6.940   4.206
  193    HE3  MET  25          3HE       MET  25  -6.248   7.287   5.705
  194    H    GLU  26           H        GLU  26  -5.240   6.941  -0.719
  195    HA   GLU  26           HA       GLU  26  -7.971   7.794  -1.309
  196    HB2  GLU  26          2HB       GLU  26  -6.624   9.407  -0.114
  197    HB3  GLU  26          1HB       GLU  26  -5.390   9.343  -1.362
  198    HG2  GLU  26          2HG       GLU  26  -6.940  10.312  -2.959
  199    HG3  GLU  26          1HG       GLU  26  -8.206  10.341  -1.735
  200    H    LYS  27           H        LYS  27  -4.832   7.271  -2.869
  201    HA   LYS  27           HA       LYS  27  -5.655   8.134  -5.430
  202    HB2  LYS  27          2HB       LYS  27  -3.287   8.026  -4.564
  203    HB3  LYS  27          1HB       LYS  27  -3.370   6.290  -4.764
  204    HG2  LYS  27          2HG       LYS  27  -2.206   7.243  -6.624
  205    HG3  LYS  27          1HG       LYS  27  -3.751   6.603  -7.183
  206    HD2  LYS  27          2HD       LYS  27  -3.270   8.780  -8.214
  207    HD3  LYS  27          1HD       LYS  27  -4.692   8.881  -7.184
  208    HE2  LYS  27          2HE       LYS  27  -3.358   9.903  -5.411
  209    HE3  LYS  27          1HE       LYS  27  -1.900   9.728  -6.384
  210    HZ1  LYS  27          1HZ       LYS  27  -4.251  11.384  -7.136
  211    HZ2  LYS  27          2HZ       LYS  27  -2.783  11.294  -7.963
  212    HZ3  LYS  27          3HZ       LYS  27  -2.842  11.981  -6.442
  213    H    GLU  28           H        GLU  28  -5.360   4.872  -3.985
  214    HA   GLU  28           HA       GLU  28  -6.780   3.872  -6.357
  215    HB2  GLU  28          2HB       GLU  28  -4.875   2.476  -4.487
  216    HB3  GLU  28          1HB       GLU  28  -5.831   1.650  -5.703
  217    HG2  GLU  28          2HG       GLU  28  -4.688   2.850  -7.461
  218    HG3  GLU  28          1HG       GLU  28  -3.790   3.786  -6.268
  219    H    ASP  29           H        ASP  29  -7.282   4.814  -3.352
  220    HA   ASP  29           HA       ASP  29  -8.787   4.530  -1.740
  221    HB2  ASP  29          2HB       ASP  29 -10.328   3.119  -3.921
  222    HB3  ASP  29          1HB       ASP  29 -10.990   3.402  -2.316
  223    H    ALA  30           H        ALA  30  -6.744   2.993  -1.424
  224    HA   ALA  30           HA       ALA  30  -7.488   0.273  -0.833
  225    HB1  ALA  30          1HB       ALA  30  -5.278   0.124   0.221
  226    HB2  ALA  30          2HB       ALA  30  -5.075   1.866   0.046
  227    HB3  ALA  30          3HB       ALA  30  -5.166   0.840  -1.387
  228    H    LYS  31           H        LYS  31  -7.302  -0.563   1.400
  229    HA   LYS  31           HA       LYS  31  -8.709   1.213   3.184
  230    HB2  LYS  31          2HB       LYS  31  -7.903  -1.688   3.471
  231    HB3  LYS  31          1HB       LYS  31  -8.793  -0.789   4.692
  232    HG2  LYS  31          2HG       LYS  31 -10.606  -0.413   3.063
  233    HG3  LYS  31          1HG       LYS  31  -9.716  -1.380   1.887
  234    HD2  LYS  31          2HD       LYS  31  -9.872  -3.327   3.297
  235    HD3  LYS  31          1HD       LYS  31 -10.608  -2.380   4.586
  236    HE2  LYS  31          2HE       LYS  31 -11.805  -2.895   1.865
  237    HE3  LYS  31          1HE       LYS  31 -12.271  -3.693   3.364
  238    HZ1  LYS  31          1HZ       LYS  31 -12.948  -1.511   4.228
  239    HZ2  LYS  31          2HZ       LYS  31 -13.795  -1.913   2.817
  240    HZ3  LYS  31          3HZ       LYS  31 -12.561  -0.807   2.750
  241    H    TYR  32           H        TYR  32  -5.631  -0.509   3.009
  242    HA   TYR  32           HA       TYR  32  -4.385   1.584   4.446
  243    HB2  TYR  32          2HB       TYR  32  -3.406   0.118   6.234
  244    HB3  TYR  32          1HB       TYR  32  -5.126   0.426   6.421
  245    HD1  TYR  32          1HD       TYR  32  -2.549  -2.103   5.708
  246    HD2  TYR  32          2HD       TYR  32  -6.717  -1.409   6.222
  247    HE1  TYR  32          1HE       TYR  32  -2.915  -4.507   5.951
  248    HE2  TYR  32          2HE       TYR  32  -7.095  -3.812   6.457
  249    HH   TYR  32           HH       TYR  32  -6.034  -5.926   5.907
  250    H    GLY  33           H        GLY  33  -2.197   1.581   4.292
  251    HA2  GLY  33          2HA       GLY  33  -1.047  -0.379   2.422
  252    HA3  GLY  33          1HA       GLY  33  -0.519   1.305   2.539
  253    H    SER  34           H        SER  34   0.817  -1.394   3.044
  254    HA   SER  34           HA       SER  34   1.880  -0.669   5.674
  255    HB2  SER  34          2HB       SER  34   1.213  -3.471   4.761
  256    HB3  SER  34          1HB       SER  34   1.866  -3.000   6.333
  257    HG   SER  34           HG       SER  34  -0.283  -1.562   5.713
  258    H    CYS  35           H        CYS  35   4.068  -1.358   6.005
  259    HA   CYS  35           HA       CYS  35   5.539  -1.578   3.486
  260    HB2  CYS  35          2HB       CYS  35   6.041   0.251   5.255
  261    HB3  CYS  35          1HB       CYS  35   6.679  -1.084   6.220
  262    H    SER  36           H        SER  36   6.024  -3.499   2.890
  263    HA   SER  36           HA       SER  36   6.574  -5.494   4.949
  264    HB2  SER  36          2HB       SER  36   5.490  -5.934   2.170
  265    HB3  SER  36          1HB       SER  36   5.720  -7.132   3.436
  266    HG   SER  36           HG       SER  36   3.595  -6.411   3.181
  267    H    HIS  37           H        HIS  37   8.738  -5.549   5.015
  268    HA   HIS  37           HA       HIS  37  10.828  -6.184   4.484
  269    HB2  HIS  37          2HB       HIS  37   9.655  -7.157   1.853
  270    HB3  HIS  37          1HB       HIS  37  11.222  -7.603   2.504
  271    HD1  HIS  37          1HD       HIS  37  11.230  -9.472   4.351
  272    HD2  HIS  37          2HD       HIS  37   7.439  -8.402   3.025
  273    HE1  HIS  37          1HE       HIS  37   9.655 -11.217   5.262
  274    H    GLY  38           H        GLY  38   9.663  -3.511   3.572
  275    HA2  GLY  38          2HA       GLY  38  10.977  -1.676   2.816
  276    HA3  GLY  38          1HA       GLY  38  11.935  -2.798   1.856
  277    H    ASP  39           H        ASP  39   8.758  -3.571   1.492
  278    HA   ASP  39           HA       ASP  39   8.423  -1.871  -0.879
  279    HB2  ASP  39          2HB       ASP  39   7.829  -4.766  -0.423
  280    HB3  ASP  39          1HB       ASP  39   6.980  -3.862  -1.660
  281    H    CYS  40           H        CYS  40   6.492  -0.895  -1.072
  282    HA   CYS  40           HA       CYS  40   4.731  -1.077   1.226
  283    HB2  CYS  40          2HB       CYS  40   5.358   1.158   0.344
  284    HB3  CYS  40          1HB       CYS  40   4.552   0.772  -1.171
  285    H    TYR  41           H        TYR  41   3.063  -2.320   1.308
  286    HA   TYR  41           HA       TYR  41   1.784  -3.252  -1.166
  287    HB2  TYR  41          2HB       TYR  41   2.134  -4.594   1.517
  288    HB3  TYR  41          1HB       TYR  41   0.941  -5.138   0.349
  289    HD1  TYR  41          1HD       TYR  41   1.538  -6.663  -1.293
  290    HD2  TYR  41          2HD       TYR  41   4.634  -4.551   0.735
  291    HE1  TYR  41          1HE       TYR  41   3.224  -8.073  -2.373
  292    HE2  TYR  41          2HE       TYR  41   6.292  -5.957  -0.332
  293    HH   TYR  41           HH       TYR  41   6.410  -8.212  -1.362
  294    H    CYS  42           H        CYS  42  -0.203  -2.552  -1.456
  295    HA   CYS  42           HA       CYS  42  -1.559  -1.360   0.823
  296    HB2  CYS  42          2HB       CYS  42  -1.905  -0.828  -2.129
  297    HB3  CYS  42          1HB       CYS  42  -2.720   0.034  -0.819
  298    H    TYR  43           H        TYR  43  -3.428  -2.086   1.508
  299    HA   TYR  43           HA       TYR  43  -4.349  -4.562   0.282
  300    HB2  TYR  43          2HB       TYR  43  -4.572  -3.516   3.102
  301    HB3  TYR  43          1HB       TYR  43  -5.365  -4.986   2.543
  302    HD1  TYR  43          1HD       TYR  43  -4.180  -7.029   2.514
  303    HD2  TYR  43          2HD       TYR  43  -2.009  -3.394   2.937
  304    HE1  TYR  43          1HE       TYR  43  -2.132  -8.299   2.941
  305    HE2  TYR  43          2HE       TYR  43   0.037  -4.655   3.363
  306    HH   TYR  43           HH       TYR  43   0.711  -6.885   4.139
  307    H    TYR  44           H        TYR  44  -6.216  -4.812  -0.519
  308    HA   TYR  44           HA       TYR  44  -8.362  -2.811  -0.137
  309    HB2  TYR  44          2HB       TYR  44  -7.851  -4.544  -2.583
  310    HB3  TYR  44          1HB       TYR  44  -9.049  -3.266  -2.432
  311    HD1  TYR  44          1HD       TYR  44  -8.397  -0.937  -2.635
  312    HD2  TYR  44          2HD       TYR  44  -5.503  -4.031  -2.898
  313    HE1  TYR  44          1HE       TYR  44  -6.749   0.661  -3.501
  314    HE2  TYR  44          2HE       TYR  44  -3.865  -2.444  -3.747
  315    HH   TYR  44           HH       TYR  44  -3.958  -0.147  -5.013
  316    H    HIS  45           H        HIS  45 -10.546  -4.007  -0.688
  317    HA   HIS  45           HA       HIS  45 -10.409  -6.692   0.477
  318    HB2  HIS  45          2HB       HIS  45 -11.885  -4.997   1.580
  319    HB3  HIS  45          1HB       HIS  45 -12.833  -4.916   0.096
  320    HD1  HIS  45          1HD       HIS  45 -14.280  -7.116  -0.485
  321    HD2  HIS  45          2HD       HIS  45 -12.324  -7.088   3.169
  322    HE1  HIS  45          1HE       HIS  45 -15.272  -9.026   0.823
  323    H    CYS  46           H        CYS  46 -10.759  -8.382  -0.851
  324    HA   CYS  46           HA       CYS  46 -11.835  -7.856  -3.483
  325    HB2  CYS  46          2HB       CYS  46 -10.766 -10.400  -2.284
  326    HB3  CYS  46          1HB       CYS  46 -11.312 -10.217  -3.945
  Start of MODEL    3
    1    H1   ALA   1           H        ALA   1 -14.574 -10.676   6.513
    2    HA   ALA   1           HA       ALA   1 -14.228  -8.411   4.848
    3    HB1  ALA   1          1HB       ALA   1 -14.459  -7.137   6.917
    4    HB2  ALA   1          2HB       ALA   1 -12.804  -7.044   6.310
    5    HB3  ALA   1          3HB       ALA   1 -13.193  -8.106   7.664
    6    H    LYS   2           H        LYS   2 -12.616  -8.973   3.593
    7    HA   LYS   2           HA       LYS   2 -10.441 -10.539   4.719
    8    HB2  LYS   2          2HB       LYS   2 -11.794 -12.146   3.520
    9    HB3  LYS   2          1HB       LYS   2 -11.919 -11.072   2.141
   10    HG2  LYS   2          2HG       LYS   2 -10.385 -12.944   1.726
   11    HG3  LYS   2          1HG       LYS   2  -9.579 -11.382   1.623
   12    HD2  LYS   2          2HD       LYS   2  -8.721 -11.721   3.924
   13    HD3  LYS   2          1HD       LYS   2  -9.458 -13.329   3.936
   14    HE2  LYS   2          2HE       LYS   2  -8.091 -13.998   2.048
   15    HE3  LYS   2          1HE       LYS   2  -7.420 -12.375   1.930
   16    HZ1  LYS   2          1HZ       LYS   2  -5.893 -13.855   2.999
   17    HZ2  LYS   2          2HZ       LYS   2  -7.008 -14.274   4.186
   18    HZ3  LYS   2          3HZ       LYS   2  -6.392 -12.702   4.110
   19    H    HIS   3           H        HIS   3  -8.942  -9.074   4.735
   20    HA   HIS   3           HA       HIS   3  -8.649  -7.308   2.490
   21    HB2  HIS   3          2HB       HIS   3  -7.135  -7.461   5.096
   22    HB3  HIS   3          1HB       HIS   3  -6.783  -6.301   3.816
   23    HD1  HIS   3          1HD       HIS   3  -8.565  -4.391   3.425
   24    HD2  HIS   3          2HD       HIS   3  -9.348  -6.910   6.631
   25    HE1  HIS   3          1HE       HIS   3 -10.365  -3.244   4.782
   26    H    CYS   4           H        CYS   4  -6.997  -7.294   1.153
   27    HA   CYS   4           HA       CYS   4  -5.465  -9.793   1.053
   28    HB2  CYS   4          2HB       CYS   4  -6.979  -8.386  -1.113
   29    HB3  CYS   4          1HB       CYS   4  -5.949  -9.777  -1.373
   30    H    GLY   5           H        GLY   5  -3.363  -9.335   1.020
   31    HA2  GLY   5          2HA       GLY   5  -2.383  -6.739   0.232
   32    HA3  GLY   5          1HA       GLY   5  -1.435  -8.100   0.824
   33    H    LYS   6           H        LYS   6  -1.997  -6.262  -1.797
   34    HA   LYS   6           HA       LYS   6  -1.483  -8.476  -3.631
   35    HB2  LYS   6          2HB       LYS   6  -2.664  -5.757  -4.126
   36    HB3  LYS   6          1HB       LYS   6  -2.147  -6.835  -5.409
   37    HG2  LYS   6          2HG       LYS   6  -3.793  -8.476  -4.720
   38    HG3  LYS   6          1HG       LYS   6  -4.283  -7.437  -3.376
   39    HD2  LYS   6          2HD       LYS   6  -4.967  -5.702  -4.933
   40    HD3  LYS   6          1HD       LYS   6  -4.410  -6.679  -6.289
   41    HE2  LYS   6          2HE       LYS   6  -6.559  -7.518  -4.369
   42    HE3  LYS   6          1HE       LYS   6  -6.872  -6.715  -5.905
   43    HZ1  LYS   6          1HZ       LYS   6  -5.758  -8.569  -7.018
   44    HZ2  LYS   6          2HZ       LYS   6  -7.104  -9.063  -6.125
   45    HZ3  LYS   6          3HZ       LYS   6  -5.559  -9.360  -5.530
   46    H    HIS   7           H        HIS   7  -0.163  -7.782  -5.518
   47    HA   HIS   7           HA       HIS   7   2.317  -6.684  -4.650
   48    HB2  HIS   7          2HB       HIS   7   1.965  -8.451  -6.473
   49    HB3  HIS   7          1HB       HIS   7   1.378  -7.147  -7.494
   50    HD1  HIS   7          1HD       HIS   7   3.229  -5.337  -8.254
   51    HD2  HIS   7          2HD       HIS   7   4.652  -8.654  -6.195
   52    HE1  HIS   7          1HE       HIS   7   5.706  -5.426  -8.704
   53    H    SER   8           H        SER   8   2.951  -4.583  -4.842
   54    HA   SER   8           HA       SER   8   0.939  -2.654  -5.387
   55    HB2  SER   8          2HB       SER   8   3.873  -2.317  -4.752
   56    HB3  SER   8          1HB       SER   8   2.631  -1.074  -4.621
   57    HG   SER   8           HG       SER   8   3.280  -2.355  -2.671
   58    H    LYS   9           H        LYS   9   1.227  -0.892  -6.918
   59    HA   LYS   9           HA       LYS   9   2.777  -1.706  -9.289
   60    HB2  LYS   9          2HB       LYS   9   0.112  -0.278  -9.198
   61    HB3  LYS   9          1HB       LYS   9   1.033  -0.583 -10.661
   62    HG2  LYS   9          2HG       LYS   9   0.796  -2.992 -10.330
   63    HG3  LYS   9          1HG       LYS   9  -0.091  -2.703  -8.832
   64    HD2  LYS   9          2HD       LYS   9  -1.825  -1.517 -10.105
   65    HD3  LYS   9          1HD       LYS   9  -0.927  -1.833 -11.591
   66    HE2  LYS   9          2HE       LYS   9  -2.049  -3.955  -9.758
   67    HE3  LYS   9          1HE       LYS   9  -2.818  -3.394 -11.236
   68    HZ1  LYS   9          1HZ       LYS   9  -0.893  -4.187 -12.485
   69    HZ2  LYS   9          2HZ       LYS   9  -1.606  -5.431 -11.620
   70    HZ3  LYS   9          3HZ       LYS   9  -0.170  -4.761 -11.074
   71    H    SER  10           H        SER  10   2.269   0.580  -6.939
   72    HA   SER  10           HA       SER  10   4.053   2.459  -8.242
   73    HB2  SER  10          2HB       SER  10   1.696   3.303  -8.416
   74    HB3  SER  10          1HB       SER  10   1.549   3.169  -6.667
   75    HG   SER  10           HG       SER  10   3.484   4.804  -7.973
   76    H    TRP  11           H        TRP  11   5.754   2.734  -6.904
   77    HA   TRP  11           HA       TRP  11   5.452   1.862  -4.103
   78    HB2  TRP  11          2HB       TRP  11   7.924   1.632  -5.831
   79    HB3  TRP  11          1HB       TRP  11   7.713   1.008  -4.203
   80    HD1  TRP  11           HD       TRP  11   6.318  -1.270  -3.942
   81    HE1  TRP  11          1HE       TRP  11   5.673  -3.095  -5.639
   82    HE3  TRP  11          3HE       TRP  11   7.286   1.273  -8.272
   83    HZ2  TRP  11          2HZ       TRP  11   5.585  -3.400  -8.452
   84    HZ3  TRP  11          3HZ       TRP  11   6.900   0.139 -10.421
   85    HH2  TRP  11           HH       TRP  11   6.070  -2.152 -10.503
   86    H    ASN  12           H        ASN  12   6.448   3.106  -2.574
   87    HA   ASN  12           HA       ASN  12   7.374   5.740  -3.379
   88    HB2  ASN  12          2HB       ASN  12   5.888   5.404  -1.353
   89    HB3  ASN  12          1HB       ASN  12   7.201   4.516  -0.595
   90   HD21  ASN  12          1HD2      ASN  12   6.030   7.659  -1.539
   91   HD22  ASN  12          2HD2      ASN  12   7.217   8.557  -0.679
   92    H    GLY  13           H        GLY  13   9.526   6.495  -2.546
   93    HA2  GLY  13          2HA       GLY  13  11.590   4.790  -3.432
   94    HA3  GLY  13          1HA       GLY  13  11.820   6.308  -2.578
   95    H    LYS  14           H        LYS  14  10.229   5.187  -0.318
   96    HA   LYS  14           HA       LYS  14  11.918   3.073   0.704
   97    HB2  LYS  14          2HB       LYS  14  13.024   5.135   1.462
   98    HB3  LYS  14          1HB       LYS  14  11.490   5.770   2.027
   99    HG2  LYS  14          2HG       LYS  14  11.393   4.058   3.742
  100    HG3  LYS  14          1HG       LYS  14  12.904   3.371   3.151
  101    HD2  LYS  14          2HD       LYS  14  14.072   5.444   3.694
  102    HD3  LYS  14          1HD       LYS  14  12.553   6.166   4.229
  103    HE2  LYS  14          2HE       LYS  14  12.360   4.517   5.989
  104    HE3  LYS  14          1HE       LYS  14  13.835   3.724   5.442
  105    HZ1  LYS  14          1HZ       LYS  14  13.664   6.507   6.464
  106    HZ2  LYS  14          2HZ       LYS  14  15.060   5.710   5.959
  107    HZ3  LYS  14          3HZ       LYS  14  14.243   5.170   7.324
  108    H    CYS  15           H        CYS  15  10.698   2.001   2.534
  109    HA   CYS  15           HA       CYS  15   7.932   2.432   2.037
  110    HB2  CYS  15          2HB       CYS  15   8.864   0.117   2.359
  111    HB3  CYS  15          1HB       CYS  15   9.066   0.513   4.066
  112    H    PHE  16           H        PHE  16   7.869   4.516   2.724
  113    HA   PHE  16           HA       PHE  16   7.806   4.997   5.552
  114    HB2  PHE  16          2HB       PHE  16   6.815   6.627   3.185
  115    HB3  PHE  16          1HB       PHE  16   6.695   7.175   4.847
  116    HD1  PHE  16          1HD       PHE  16   8.880   6.742   1.955
  117    HD2  PHE  16          2HD       PHE  16   8.722   7.811   6.072
  118    HE1  PHE  16          1HE       PHE  16  11.064   7.821   1.758
  119    HE2  PHE  16          2HE       PHE  16  10.922   8.882   5.876
  120    HZ   PHE  16           HZ       PHE  16  12.097   8.892   3.721
  121    H    HIS  17           H        HIS  17   6.266   3.813   6.535
  122    HA   HIS  17           HA       HIS  17   4.210   2.568   5.177
  123    HB2  HIS  17          2HB       HIS  17   3.269   1.897   7.406
  124    HB3  HIS  17          1HB       HIS  17   4.965   1.525   7.176
  125    HD1  HIS  17          1HD       HIS  17   6.541   2.354   8.976
  126    HD2  HIS  17          2HD       HIS  17   2.777   4.097   9.195
  127    HE1  HIS  17          1HE       HIS  17   6.501   3.664  11.137
  128    H    LYS  18           H        LYS  18   3.921   5.453   7.170
  129    HA   LYS  18           HA       LYS  18   1.083   5.584   6.884
  130    HB2  LYS  18          2HB       LYS  18   2.330   6.523   8.810
  131    HB3  LYS  18          1HB       LYS  18   3.065   7.702   7.745
  132    HG2  LYS  18          2HG       LYS  18   0.898   8.725   7.348
  133    HG3  LYS  18          1HG       LYS  18   0.128   7.505   8.369
  134    HD2  LYS  18          2HD       LYS  18   1.493   8.245  10.272
  135    HD3  LYS  18          1HD       LYS  18   2.240   9.475   9.255
  136    HE2  LYS  18          2HE       LYS  18  -0.695   9.305   9.959
  137    HE3  LYS  18          1HE       LYS  18   0.475  10.381  10.701
  138    HZ1  LYS  18          1HZ       LYS  18   0.803  11.473   8.584
  139    HZ2  LYS  18          2HZ       LYS  18  -0.805  11.506   9.017
  140    HZ3  LYS  18          3HZ       LYS  18  -0.290  10.438   7.821
  141    H    LYS  19           H        LYS  19   3.830   7.050   5.295
  142    HA   LYS  19           HA       LYS  19   2.275   8.808   3.697
  143    HB2  LYS  19          2HB       LYS  19   4.534   9.430   4.100
  144    HB3  LYS  19          1HB       LYS  19   5.136   7.910   3.458
  145    HG2  LYS  19          2HG       LYS  19   4.497   8.523   1.223
  146    HG3  LYS  19          1HG       LYS  19   3.691   9.976   1.804
  147    HD2  LYS  19          2HD       LYS  19   6.644   9.431   2.094
  148    HD3  LYS  19          1HD       LYS  19   5.930  10.386   0.792
  149    HE2  LYS  19          2HE       LYS  19   5.774  11.008   3.750
  150    HE3  LYS  19          1HE       LYS  19   6.774  11.824   2.555
  151    HZ1  LYS  19          1HZ       LYS  19   4.737  13.072   3.005
  152    HZ2  LYS  19          2HZ       LYS  19   3.796  11.778   2.522
  153    HZ3  LYS  19          3HZ       LYS  19   4.781  12.548   1.408
  154    H    CYS  20           H        CYS  20   3.839   5.692   2.990
  155    HA   CYS  20           HA       CYS  20   2.947   5.707   0.306
  156    HB2  CYS  20          2HB       CYS  20   4.926   4.396   1.123
  157    HB3  CYS  20          1HB       CYS  20   3.812   3.308   1.939
  158    H    ASN  21           H        ASN  21   1.596   4.663   3.349
  159    HA   ASN  21           HA       ASN  21  -0.526   3.085   2.580
  160    HB2  ASN  21          2HB       ASN  21   0.025   3.617   4.925
  161    HB3  ASN  21          1HB       ASN  21  -0.503   5.273   4.672
  162   HD21  ASN  21          1HD2      ASN  21  -2.739   5.722   4.614
  163   HD22  ASN  21          2HD2      ASN  21  -3.881   4.539   5.089
  164    H    HIS  22           H        HIS  22  -0.521   6.617   2.981
  165    HA   HIS  22           HA       HIS  22  -3.093   6.829   1.798
  166    HB2  HIS  22          2HB       HIS  22  -1.135   8.952   2.660
  167    HB3  HIS  22          1HB       HIS  22  -2.703   9.325   1.947
  168    HD1  HIS  22          1HD       HIS  22  -4.822   8.770   3.391
  169    HD2  HIS  22          2HD       HIS  22  -1.186   8.060   5.265
  170    HE1  HIS  22          1HE       HIS  22  -5.365   8.375   5.815
  171    H    TRP  23           H        TRP  23   0.143   7.137   0.611
  172    HA   TRP  23           HA       TRP  23  -0.357   8.332  -1.859
  173    HB2  TRP  23          2HB       TRP  23   1.944   7.882  -1.103
  174    HB3  TRP  23          1HB       TRP  23   1.633   6.150  -1.175
  175    HD1  TRP  23           HD       TRP  23   1.891   4.949  -3.514
  176    HE1  TRP  23          1HE       TRP  23   2.706   5.719  -5.836
  177    HE3  TRP  23          3HE       TRP  23   2.002   9.998  -2.707
  178    HZ2  TRP  23          2HZ       TRP  23   3.330   8.135  -7.136
  179    HZ3  TRP  23          3HZ       TRP  23   2.725  11.459  -4.545
  180    HH2  TRP  23           HH       TRP  23   3.376  10.545  -6.709
  181    H    CYS  24           H        CYS  24  -0.234   4.862  -1.057
  182    HA   CYS  24           HA       CYS  24  -1.177   4.088  -3.611
  183    HB2  CYS  24          2HB       CYS  24   0.197   2.634  -1.971
  184    HB3  CYS  24          1HB       CYS  24  -1.309   2.414  -1.121
  185    H    MET  25           H        MET  25  -2.704   4.849  -0.574
  186    HA   MET  25           HA       MET  25  -5.231   3.731  -0.993
  187    HB2  MET  25          2HB       MET  25  -4.406   4.632   1.169
  188    HB3  MET  25          1HB       MET  25  -4.524   6.249   0.498
  189    HG2  MET  25          2HG       MET  25  -6.917   6.022   0.287
  190    HG3  MET  25          1HG       MET  25  -6.829   4.370   0.893
  191    HE1  MET  25          1HE       MET  25  -8.741   6.564   2.091
  192    HE2  MET  25          2HE       MET  25  -8.541   6.243   3.816
  193    HE3  MET  25          3HE       MET  25  -8.631   4.903   2.672
  194    H    GLU  26           H        GLU  26  -3.865   6.833  -1.984
  195    HA   GLU  26           HA       GLU  26  -6.382   7.580  -3.189
  196    HB2  GLU  26          2HB       GLU  26  -4.788   9.244  -2.140
  197    HB3  GLU  26          1HB       GLU  26  -3.721   8.966  -3.512
  198    HG2  GLU  26          2HG       GLU  26  -5.014  10.951  -3.903
  199    HG3  GLU  26          1HG       GLU  26  -5.530   9.691  -5.024
  200    H    LYS  27           H        LYS  27  -3.194   6.551  -4.185
  201    HA   LYS  27           HA       LYS  27  -3.302   6.813  -6.933
  202    HB2  LYS  27          2HB       LYS  27  -1.358   6.198  -5.427
  203    HB3  LYS  27          1HB       LYS  27  -2.005   4.572  -5.408
  204    HG2  LYS  27          2HG       LYS  27  -0.231   4.605  -6.962
  205    HG3  LYS  27          1HG       LYS  27  -1.728   4.530  -7.892
  206    HD2  LYS  27          2HD       LYS  27  -1.597   6.880  -8.385
  207    HD3  LYS  27          1HD       LYS  27  -0.198   7.069  -7.323
  208    HE2  LYS  27          2HE       LYS  27   1.070   5.535  -8.767
  209    HE3  LYS  27          1HE       LYS  27  -0.334   5.404  -9.821
  210    HZ1  LYS  27          1HZ       LYS  27  -0.141   7.734 -10.338
  211    HZ2  LYS  27          2HZ       LYS  27   1.318   6.962 -10.650
  212    HZ3  LYS  27          3HZ       LYS  27   1.158   7.916  -9.278
  213    H    GLU  28           H        GLU  28  -3.980   3.857  -5.029
  214    HA   GLU  28           HA       GLU  28  -5.348   2.725  -7.387
  215    HB2  GLU  28          2HB       GLU  28  -3.618   1.400  -5.325
  216    HB3  GLU  28          1HB       GLU  28  -4.548   0.541  -6.541
  217    HG2  GLU  28          2HG       GLU  28  -2.349   2.520  -7.104
  218    HG3  GLU  28          1HG       GLU  28  -2.180   0.765  -7.137
  219    H    ASP  29           H        ASP  29  -6.221   4.063  -4.665
  220    HA   ASP  29           HA       ASP  29  -7.824   3.873  -3.066
  221    HB2  ASP  29          2HB       ASP  29  -9.317   3.540  -5.081
  222    HB3  ASP  29          1HB       ASP  29  -9.105   1.803  -4.913
  223    H    ALA  30           H        ALA  30  -5.518   2.370  -2.762
  224    HA   ALA  30           HA       ALA  30  -6.051  -0.232  -1.785
  225    HB1  ALA  30          1HB       ALA  30  -3.848   1.671  -0.983
  226    HB2  ALA  30          2HB       ALA  30  -3.773   0.509  -2.306
  227    HB3  ALA  30          3HB       ALA  30  -3.895  -0.058  -0.640
  228    H    LYS  31           H        LYS  31  -6.495  -0.911   0.265
  229    HA   LYS  31           HA       LYS  31  -8.114   0.864   1.829
  230    HB2  LYS  31          2HB       LYS  31  -6.996  -1.862   2.476
  231    HB3  LYS  31          1HB       LYS  31  -8.266  -1.041   3.358
  232    HG2  LYS  31          2HG       LYS  31  -8.548  -1.790   0.467
  233    HG3  LYS  31          1HG       LYS  31  -8.934  -2.913   1.767
  234    HD2  LYS  31          2HD       LYS  31 -10.954  -2.039   1.382
  235    HD3  LYS  31          1HD       LYS  31 -10.405  -0.970   2.618
  236    HE2  LYS  31          2HE       LYS  31 -11.467   0.393   0.874
  237    HE3  LYS  31          1HE       LYS  31  -9.757   0.767   0.947
  238    HZ1  LYS  31          1HZ       LYS  31  -9.436  -0.592  -1.065
  239    HZ2  LYS  31          2HZ       LYS  31 -10.573   0.592  -1.348
  240    HZ3  LYS  31          3HZ       LYS  31 -11.067  -0.980  -1.060
  241    H    TYR  32           H        TYR  32  -4.958  -0.610   2.078
  242    HA   TYR  32           HA       TYR  32  -3.930   1.572   3.481
  243    HB2  TYR  32          2HB       TYR  32  -3.279   0.309   5.551
  244    HB3  TYR  32          1HB       TYR  32  -4.993   0.656   5.431
  245    HD1  TYR  32          1HD       TYR  32  -2.480  -1.877   5.835
  246    HD2  TYR  32          2HD       TYR  32  -6.561  -1.268   4.757
  247    HE1  TYR  32          1HE       TYR  32  -2.948  -4.226   6.290
  248    HE2  TYR  32          2HE       TYR  32  -7.057  -3.581   5.182
  249    HH   TYR  32           HH       TYR  32  -5.840  -5.776   5.398
  250    H    GLY  33           H        GLY  33  -1.838   1.707   3.113
  251    HA2  GLY  33          2HA       GLY  33  -0.497  -0.569   1.850
  252    HA3  GLY  33          1HA       GLY  33   0.075   1.109   1.832
  253    H    SER  34           H        SER  34   1.152  -1.592   2.840
  254    HA   SER  34           HA       SER  34   2.042  -0.523   5.404
  255    HB2  SER  34          2HB       SER  34   1.006  -3.337   5.005
  256    HB3  SER  34          1HB       SER  34   1.653  -2.665   6.505
  257    HG   SER  34           HG       SER  34  -0.230  -1.083   5.458
  258    H    CYS  35           H        CYS  35   4.020  -1.469   6.140
  259    HA   CYS  35           HA       CYS  35   5.742  -2.161   3.957
  260    HB2  CYS  35          2HB       CYS  35   6.279  -1.732   6.888
  261    HB3  CYS  35          1HB       CYS  35   7.522  -2.018   5.668
  262    H    SER  36           H        SER  36   6.067  -4.027   3.320
  263    HA   SER  36           HA       SER  36   6.223  -6.203   5.224
  264    HB2  SER  36          2HB       SER  36   4.861  -6.298   2.508
  265    HB3  SER  36          1HB       SER  36   5.074  -7.655   3.617
  266    HG   SER  36           HG       SER  36   3.979  -6.211   5.161
  267    H    HIS  37           H        HIS  37   8.200  -6.958   5.119
  268    HA   HIS  37           HA       HIS  37  10.248  -7.675   4.431
  269    HB2  HIS  37          2HB       HIS  37   9.395  -7.151   1.562
  270    HB3  HIS  37          1HB       HIS  37  10.796  -8.066   2.074
  271    HD1  HIS  37          1HD       HIS  37   8.265  -8.956   0.260
  272    HD2  HIS  37          2HD       HIS  37   9.118 -10.064   4.168
  273    HE1  HIS  37          1HE       HIS  37   7.105 -11.164   0.612
  274    H    GLY  38           H        GLY  38   9.198  -4.707   4.419
  275    HA2  GLY  38          2HA       GLY  38  10.542  -2.736   4.548
  276    HA3  GLY  38          1HA       GLY  38  11.741  -3.529   3.526
  277    H    ASP  39           H        ASP  39   8.966  -4.329   2.136
  278    HA   ASP  39           HA       ASP  39   9.071  -2.055   0.313
  279    HB2  ASP  39          2HB       ASP  39   8.035  -4.854  -0.028
  280    HB3  ASP  39          1HB       ASP  39   7.677  -3.574  -1.177
  281    H    CYS  40           H        CYS  40   7.131  -1.247  -0.481
  282    HA   CYS  40           HA       CYS  40   5.089  -1.154   1.564
  283    HB2  CYS  40          2HB       CYS  40   5.901   0.956   0.608
  284    HB3  CYS  40          1HB       CYS  40   5.453   0.404  -1.002
  285    H    TYR  41           H        TYR  41   3.516  -2.564   1.427
  286    HA   TYR  41           HA       TYR  41   2.691  -3.464  -1.221
  287    HB2  TYR  41          2HB       TYR  41   2.755  -4.894   1.403
  288    HB3  TYR  41          1HB       TYR  41   1.590  -5.367   0.175
  289    HD1  TYR  41          1HD       TYR  41   5.222  -5.070   0.903
  290    HD2  TYR  41          2HD       TYR  41   2.236  -6.640  -1.699
  291    HE1  TYR  41          1HE       TYR  41   6.890  -6.506  -0.148
  292    HE2  TYR  41          2HE       TYR  41   3.906  -8.068  -2.762
  293    HH   TYR  41           HH       TYR  41   6.296  -8.193  -3.058
  294    H    CYS  42           H        CYS  42   0.738  -3.184  -1.825
  295    HA   CYS  42           HA       CYS  42  -0.950  -1.565  -0.139
  296    HB2  CYS  42          2HB       CYS  42  -1.189  -2.360  -3.032
  297    HB3  CYS  42          1HB       CYS  42  -2.249  -1.229  -2.195
  298    H    TYR  43           H        TYR  43  -2.462  -2.422   1.057
  299    HA   TYR  43           HA       TYR  43  -3.453  -5.063   0.402
  300    HB2  TYR  43          2HB       TYR  43  -3.533  -3.444   2.962
  301    HB3  TYR  43          1HB       TYR  43  -4.373  -4.979   2.759
  302    HD1  TYR  43          1HD       TYR  43  -3.273  -6.936   3.368
  303    HD2  TYR  43          2HD       TYR  43  -0.945  -3.510   2.419
  304    HE1  TYR  43          1HE       TYR  43  -1.236  -8.164   3.937
  305    HE2  TYR  43          2HE       TYR  43   1.084  -4.699   2.981
  306    HH   TYR  43           HH       TYR  43   1.891  -6.673   4.177
  307    H    TYR  44           H        TYR  44  -5.358  -5.364  -0.317
  308    HA   TYR  44           HA       TYR  44  -7.218  -3.097  -0.404
  309    HB2  TYR  44          2HB       TYR  44  -6.875  -5.399  -2.355
  310    HB3  TYR  44          1HB       TYR  44  -8.072  -4.122  -2.503
  311    HD1  TYR  44          1HD       TYR  44  -7.423  -1.904  -3.297
  312    HD2  TYR  44          2HD       TYR  44  -4.516  -4.960  -2.786
  313    HE1  TYR  44          1HE       TYR  44  -5.813  -0.581  -4.577
  314    HE2  TYR  44          2HE       TYR  44  -2.898  -3.649  -4.060
  315    HH   TYR  44           HH       TYR  44  -3.285  -0.418  -4.741
  316    H    HIS  45           H        HIS  45  -9.506  -4.403  -1.020
  317    HA   HIS  45           HA       HIS  45  -9.749  -6.510   0.988
  318    HB2  HIS  45          2HB       HIS  45 -10.908  -4.365   1.552
  319    HB3  HIS  45          1HB       HIS  45 -11.839  -4.516   0.068
  320    HD1  HIS  45          1HD       HIS  45 -13.853  -6.118   0.120
  321    HD2  HIS  45          2HD       HIS  45 -11.520  -6.159   3.525
  322    HE1  HIS  45          1HE       HIS  45 -15.164  -7.454   1.789
  323    H    CYS  46           H        CYS  46 -10.532  -8.419   0.216
  324    HA   CYS  46           HA       CYS  46 -11.304  -8.526  -2.560
  325    HB2  CYS  46          2HB       CYS  46 -10.876 -10.692  -0.488
  326    HB3  CYS  46          1HB       CYS  46 -11.388 -11.014  -2.140
  Start of MODEL    4
    1    H1   ALA   1           H        ALA   1 -12.456  -7.922   9.724
    2    HA   ALA   1           HA       ALA   1 -13.253  -7.559   7.481
    3    HB1  ALA   1          1HB       ALA   1 -12.175  -5.503   6.803
    4    HB2  ALA   1          2HB       ALA   1 -10.787  -5.857   7.829
    5    HB3  ALA   1          3HB       ALA   1 -12.355  -5.516   8.559
    6    H    LYS   2           H        LYS   2 -12.666  -7.378   5.169
    7    HA   LYS   2           HA       LYS   2 -10.902  -9.585   4.582
    8    HB2  LYS   2          2HB       LYS   2 -13.180  -9.577   3.672
    9    HB3  LYS   2          1HB       LYS   2 -12.836  -8.082   2.822
   10    HG2  LYS   2          2HG       LYS   2 -11.200  -9.203   1.441
   11    HG3  LYS   2          1HG       LYS   2 -11.446 -10.704   2.341
   12    HD2  LYS   2          2HD       LYS   2 -13.777 -10.757   1.632
   13    HD3  LYS   2          1HD       LYS   2 -13.548  -9.244   0.761
   14    HE2  LYS   2          2HE       LYS   2 -13.469 -11.151  -0.747
   15    HE3  LYS   2          1HE       LYS   2 -11.926 -10.310  -0.699
   16    HZ1  LYS   2          1HZ       LYS   2 -11.096 -12.042   0.808
   17    HZ2  LYS   2          2HZ       LYS   2 -11.599 -12.650  -0.672
   18    HZ3  LYS   2          3HZ       LYS   2 -12.570 -12.869   0.687
   19    H    HIS   3           H        HIS   3  -8.883  -9.123   4.281
   20    HA   HIS   3           HA       HIS   3  -8.145  -6.755   2.714
   21    HB2  HIS   3          2HB       HIS   3  -6.637  -7.924   5.061
   22    HB3  HIS   3          1HB       HIS   3  -6.088  -6.583   4.064
   23    HD1  HIS   3          1HD       HIS   3  -7.349  -7.010   7.268
   24    HD2  HIS   3          2HD       HIS   3  -8.468  -4.568   4.103
   25    HE1  HIS   3          1HE       HIS   3  -8.580  -5.072   8.288
   26    H    CYS   4           H        CYS   4  -6.520  -6.983   1.297
   27    HA   CYS   4           HA       CYS   4  -5.320  -9.617   0.810
   28    HB2  CYS   4          2HB       CYS   4  -7.241  -9.451  -0.630
   29    HB3  CYS   4          1HB       CYS   4  -6.810  -7.818  -1.075
   30    H    GLY   5           H        GLY   5  -3.156  -9.286   0.675
   31    HA2  GLY   5          2HA       GLY   5  -2.189  -6.581   0.164
   32    HA3  GLY   5          1HA       GLY   5  -1.238  -7.929   0.772
   33    H    LYS   6           H        LYS   6  -1.894  -6.051  -1.879
   34    HA   LYS   6           HA       LYS   6  -0.900  -8.091  -3.738
   35    HB2  LYS   6          2HB       LYS   6  -2.321  -5.482  -4.256
   36    HB3  LYS   6          1HB       LYS   6  -1.626  -6.489  -5.514
   37    HG2  LYS   6          2HG       LYS   6  -3.159  -8.313  -4.843
   38    HG3  LYS   6          1HG       LYS   6  -3.878  -7.230  -3.654
   39    HD2  LYS   6          2HD       LYS   6  -5.254  -7.267  -5.664
   40    HD3  LYS   6          1HD       LYS   6  -4.519  -5.692  -5.456
   41    HE2  LYS   6          2HE       LYS   6  -4.440  -6.429  -7.808
   42    HE3  LYS   6          1HE       LYS   6  -2.840  -6.180  -7.128
   43    HZ1  LYS   6          1HZ       LYS   6  -2.583  -8.560  -6.894
   44    HZ2  LYS   6          2HZ       LYS   6  -2.982  -8.178  -8.475
   45    HZ3  LYS   6          3HZ       LYS   6  -4.152  -8.828  -7.465
   46    H    HIS   7           H        HIS   7   0.789  -7.507  -5.160
   47    HA   HIS   7           HA       HIS   7   2.804  -5.912  -3.926
   48    HB2  HIS   7          2HB       HIS   7   3.368  -7.932  -5.272
   49    HB3  HIS   7          1HB       HIS   7   2.738  -7.137  -6.708
   50    HD1  HIS   7          1HD       HIS   7   5.679  -6.955  -4.292
   51    HD2  HIS   7          2HD       HIS   7   4.482  -5.434  -7.977
   52    HE1  HIS   7          1HE       HIS   7   7.684  -5.811  -5.247
   53    H    SER   8           H        SER   8   3.191  -3.812  -4.221
   54    HA   SER   8           HA       SER   8   1.289  -2.269  -5.573
   55    HB2  SER   8          2HB       SER   8   2.988  -0.462  -4.835
   56    HB3  SER   8          1HB       SER   8   2.110  -1.370  -3.599
   57    HG   SER   8           HG       SER   8   4.078  -1.586  -2.920
   58    H    LYS   9           H        LYS   9   1.291  -1.941  -7.725
   59    HA   LYS   9           HA       LYS   9   3.724  -2.279  -9.194
   60    HB2  LYS   9          2HB       LYS   9   2.448  -1.855 -11.217
   61    HB3  LYS   9          1HB       LYS   9   1.595  -2.998 -10.202
   62    HG2  LYS   9          2HG       LYS   9   0.049  -1.242  -9.508
   63    HG3  LYS   9          1HG       LYS   9   0.940  -0.071 -10.490
   64    HD2  LYS   9          2HD       LYS   9   0.499  -1.479 -12.478
   65    HD3  LYS   9          1HD       LYS   9  -0.495  -2.529 -11.480
   66    HE2  LYS   9          2HE       LYS   9  -0.975   0.399 -11.957
   67    HE3  LYS   9          1HE       LYS   9  -1.802  -0.901 -12.805
   68    HZ1  LYS   9          1HZ       LYS   9  -3.178  -0.076 -11.066
   69    HZ2  LYS   9          2HZ       LYS   9  -2.003  -0.261  -9.893
   70    HZ3  LYS   9          3HZ       LYS   9  -2.690  -1.619 -10.624
   71    H    SER  10           H        SER  10   2.253   0.236  -7.581
   72    HA   SER  10           HA       SER  10   3.552   2.373  -8.990
   73    HB2  SER  10          2HB       SER  10   1.460   2.687  -7.602
   74    HB3  SER  10          1HB       SER  10   2.391   2.256  -6.174
   75    HG   SER  10           HG       SER  10   3.276   4.352  -7.811
   76    H    TRP  11           H        TRP  11   5.562   3.214  -8.387
   77    HA   TRP  11           HA       TRP  11   7.190   1.363  -6.933
   78    HB2  TRP  11          2HB       TRP  11   7.937   3.903  -8.393
   79    HB3  TRP  11          1HB       TRP  11   9.103   2.860  -7.588
   80    HD1  TRP  11           HD       TRP  11   9.392   0.339  -8.652
   81    HE1  TRP  11          1HE       TRP  11   9.113  -0.476 -11.088
   82    HE3  TRP  11          3HE       TRP  11   6.700   4.254 -10.542
   83    HZ2  TRP  11          2HZ       TRP  11   7.916   0.420 -13.476
   84    HZ3  TRP  11          3HZ       TRP  11   6.038   4.192 -12.908
   85    HH2  TRP  11           HH       TRP  11   6.637   2.315 -14.337
   86    H    ASN  12           H        ASN  12   6.195   1.565  -5.000
   87    HA   ASN  12           HA       ASN  12   7.064   3.860  -3.424
   88    HB2  ASN  12          2HB       ASN  12   4.615   3.810  -3.555
   89    HB3  ASN  12          1HB       ASN  12   4.596   2.125  -3.072
   90   HD21  ASN  12          1HD2      ASN  12   6.645   4.582  -1.502
   91   HD22  ASN  12          2HD2      ASN  12   5.790   4.506  -0.009
   92    H    GLY  13           H        GLY  13   9.018   2.778  -3.268
   93    HA2  GLY  13          2HA       GLY  13   9.020   0.322  -1.691
   94    HA3  GLY  13          1HA       GLY  13  10.351   0.923  -2.669
   95    H    LYS  14           H        LYS  14   9.299   3.617  -1.234
   96    HA   LYS  14           HA       LYS  14  11.292   3.300   0.792
   97    HB2  LYS  14          2HB       LYS  14  11.026   5.438  -0.534
   98    HB3  LYS  14          1HB       LYS  14   9.541   5.705   0.386
   99    HG2  LYS  14          2HG       LYS  14  11.395   6.953   1.350
  100    HG3  LYS  14          1HG       LYS  14  10.801   5.722   2.455
  101    HD2  LYS  14          2HD       LYS  14  12.650   4.268   1.938
  102    HD3  LYS  14          1HD       LYS  14  13.207   5.353   0.663
  103    HE2  LYS  14          2HE       LYS  14  13.066   6.049   3.598
  104    HE3  LYS  14          1HE       LYS  14  14.520   5.503   2.772
  105    HZ1  LYS  14          1HZ       LYS  14  14.412   7.429   1.356
  106    HZ2  LYS  14          2HZ       LYS  14  14.433   7.916   2.971
  107    HZ3  LYS  14          3HZ       LYS  14  12.999   7.954   2.092
  108    H    CYS  15           H        CYS  15  10.897   2.687   2.619
  109    HA   CYS  15           HA       CYS  15   8.212   1.846   3.224
  110    HB2  CYS  15          2HB       CYS  15   9.764   0.132   3.324
  111    HB3  CYS  15          1HB       CYS  15  10.909   1.003   4.296
  112    H    PHE  16           H        PHE  16   7.069   3.466   3.968
  113    HA   PHE  16           HA       PHE  16   7.445   4.140   6.774
  114    HB2  PHE  16          2HB       PHE  16   6.931   6.207   4.601
  115    HB3  PHE  16          1HB       PHE  16   6.630   6.505   6.302
  116    HD1  PHE  16          1HD       PHE  16   8.609   6.493   7.873
  117    HD2  PHE  16          2HD       PHE  16   9.017   6.525   3.644
  118    HE1  PHE  16          1HE       PHE  16  10.903   7.336   8.107
  119    HE2  PHE  16          2HE       PHE  16  11.315   7.368   3.874
  120    HZ   PHE  16           HZ       PHE  16  12.263   7.767   6.103
  121    H    HIS  17           H        HIS  17   5.649   3.229   7.579
  122    HA   HIS  17           HA       HIS  17   3.450   2.340   6.210
  123    HB2  HIS  17          2HB       HIS  17   3.996   1.661   8.517
  124    HB3  HIS  17          1HB       HIS  17   3.515   3.248   9.099
  125    HD1  HIS  17          1HD       HIS  17   1.054   3.502   9.740
  126    HD2  HIS  17          2HD       HIS  17   1.795   0.118   7.443
  127    HE1  HIS  17          1HE       HIS  17  -1.093   2.218   9.689
  128    H    LYS  18           H        LYS  18   3.695   5.403   7.956
  129    HA   LYS  18           HA       LYS  18   1.102   6.353   7.509
  130    HB2  LYS  18          2HB       LYS  18   2.621   7.355   9.142
  131    HB3  LYS  18          1HB       LYS  18   3.677   7.903   7.856
  132    HG2  LYS  18          2HG       LYS  18   2.369   9.742   8.752
  133    HG3  LYS  18          1HG       LYS  18   1.930   9.432   7.073
  134    HD2  LYS  18          2HD       LYS  18  -0.068   8.244   7.789
  135    HD3  LYS  18          1HD       LYS  18   0.386   8.450   9.480
  136    HE2  LYS  18          2HE       LYS  18   0.186  10.868   9.256
  137    HE3  LYS  18          1HE       LYS  18  -0.187  10.688   7.542
  138    HZ1  LYS  18          1HZ       LYS  18  -1.856   9.644   9.776
  139    HZ2  LYS  18          2HZ       LYS  18  -2.203   9.494   8.149
  140    HZ3  LYS  18          3HZ       LYS  18  -2.208  11.010   8.859
  141    H    LYS  19           H        LYS  19   4.013   6.728   5.567
  142    HA   LYS  19           HA       LYS  19   2.904   8.532   3.663
  143    HB2  LYS  19          2HB       LYS  19   5.317   8.367   4.005
  144    HB3  LYS  19          1HB       LYS  19   5.282   6.689   3.482
  145    HG2  LYS  19          2HG       LYS  19   4.571   7.404   1.240
  146    HG3  LYS  19          1HG       LYS  19   4.657   9.084   1.760
  147    HD2  LYS  19          2HD       LYS  19   6.982   7.151   1.726
  148    HD3  LYS  19          1HD       LYS  19   6.653   8.366   0.493
  149    HE2  LYS  19          2HE       LYS  19   7.252   8.911   3.408
  150    HE3  LYS  19          1HE       LYS  19   8.368   9.119   2.065
  151    HZ1  LYS  19          1HZ       LYS  19   6.942  10.832   1.161
  152    HZ2  LYS  19          2HZ       LYS  19   7.329  11.201   2.756
  153    HZ3  LYS  19          3HZ       LYS  19   5.814  10.599   2.388
  154    H    CYS  20           H        CYS  20   3.649   5.091   3.587
  155    HA   CYS  20           HA       CYS  20   2.804   4.593   0.977
  156    HB2  CYS  20          2HB       CYS  20   2.970   2.691   3.295
  157    HB3  CYS  20          1HB       CYS  20   2.965   2.301   1.573
  158    H    ASN  21           H        ASN  21   1.108   4.408   4.063
  159    HA   ASN  21           HA       ASN  21  -1.210   3.096   3.284
  160    HB2  ASN  21          2HB       ASN  21  -0.659   3.590   5.630
  161    HB3  ASN  21          1HB       ASN  21  -0.865   5.309   5.326
  162   HD21  ASN  21          1HD2      ASN  21  -2.483   5.590   6.792
  163   HD22  ASN  21          2HD2      ASN  21  -4.066   4.940   6.591
  164    H    HIS  22           H        HIS  22  -0.652   6.570   3.579
  165    HA   HIS  22           HA       HIS  22  -3.121   7.212   2.350
  166    HB2  HIS  22          2HB       HIS  22  -0.769   8.967   3.042
  167    HB3  HIS  22          1HB       HIS  22  -2.302   9.563   2.409
  168    HD1  HIS  22          1HD       HIS  22  -4.299   9.675   4.066
  169    HD2  HIS  22          2HD       HIS  22  -0.841   8.004   5.652
  170    HE1  HIS  22          1HE       HIS  22  -4.694   9.472   6.547
  171    H    TRP  23           H        TRP  23   0.116   6.765   1.127
  172    HA   TRP  23           HA       TRP  23  -0.285   8.036  -1.344
  173    HB2  TRP  23          2HB       TRP  23   1.987   7.413  -0.725
  174    HB3  TRP  23          1HB       TRP  23   1.544   5.706  -0.692
  175    HD1  TRP  23           HD       TRP  23   2.121   4.408  -2.852
  176    HE1  TRP  23          1HE       TRP  23   2.560   5.020  -5.339
  177    HE3  TRP  23          3HE       TRP  23   1.204   9.434  -2.645
  178    HZ2  TRP  23          2HZ       TRP  23   2.508   7.306  -6.958
  179    HZ3  TRP  23          3HZ       TRP  23   1.409  10.756  -4.707
  180    HH2  TRP  23           HH       TRP  23   2.048   9.712  -6.818
  181    H    CYS  24           H        CYS  24  -0.502   4.563  -0.582
  182    HA   CYS  24           HA       CYS  24  -1.492   4.037  -3.174
  183    HB2  CYS  24          2HB       CYS  24  -0.325   2.327  -1.625
  184    HB3  CYS  24          1HB       CYS  24  -1.868   2.220  -0.822
  185    H    MET  25           H        MET  25  -3.051   4.755  -0.107
  186    HA   MET  25           HA       MET  25  -5.662   3.946  -0.715
  187    HB2  MET  25          2HB       MET  25  -4.916   4.614   1.525
  188    HB3  MET  25          1HB       MET  25  -4.739   6.271   0.979
  189    HG2  MET  25          2HG       MET  25  -7.169   6.348   0.543
  190    HG3  MET  25          1HG       MET  25  -7.309   4.718   1.197
  191    HE1  MET  25          1HE       MET  25  -5.178   4.827   3.634
  192    HE2  MET  25          2HE       MET  25  -6.772   4.083   3.724
  193    HE3  MET  25          3HE       MET  25  -6.273   5.247   4.951
  194    H    GLU  26           H        GLU  26  -3.922   6.905  -1.485
  195    HA   GLU  26           HA       GLU  26  -6.288   8.071  -2.708
  196    HB2  GLU  26          2HB       GLU  26  -4.861   9.484  -1.326
  197    HB3  GLU  26          1HB       GLU  26  -3.485   9.116  -2.350
  198    HG2  GLU  26          2HG       GLU  26  -4.637  10.244  -4.229
  199    HG3  GLU  26          1HG       GLU  26  -5.936  10.683  -3.120
  200    H    LYS  27           H        LYS  27  -3.192   6.692  -3.626
  201    HA   LYS  27           HA       LYS  27  -3.292   7.522  -6.336
  202    HB2  LYS  27          2HB       LYS  27  -1.182   7.035  -5.187
  203    HB3  LYS  27          1HB       LYS  27  -1.648   5.361  -5.006
  204    HG2  LYS  27          2HG       LYS  27  -0.014   5.638  -6.784
  205    HG3  LYS  27          1HG       LYS  27  -1.550   5.072  -7.435
  206    HD2  LYS  27          2HD       LYS  27  -2.099   7.314  -8.157
  207    HD3  LYS  27          1HD       LYS  27  -0.608   7.927  -7.435
  208    HE2  LYS  27          2HE       LYS  27   0.713   6.626  -8.965
  209    HE3  LYS  27          1HE       LYS  27  -0.734   5.872  -9.631
  210    HZ1  LYS  27          1HZ       LYS  27  -1.442   7.999 -10.461
  211    HZ2  LYS  27          2HZ       LYS  27   0.116   7.671 -11.025
  212    HZ3  LYS  27          3HZ       LYS  27  -0.106   8.775  -9.780
  213    H    GLU  28           H        GLU  28  -3.692   4.234  -4.925
  214    HA   GLU  28           HA       GLU  28  -5.157   3.573  -7.375
  215    HB2  GLU  28          2HB       GLU  28  -3.226   1.928  -5.781
  216    HB3  GLU  28          1HB       GLU  28  -4.371   1.182  -6.891
  217    HG2  GLU  28          2HG       GLU  28  -3.463   2.397  -8.743
  218    HG3  GLU  28          1HG       GLU  28  -2.438   3.339  -7.674
  219    H    ASP  29           H        ASP  29  -5.869   4.475  -4.609
  220    HA   ASP  29           HA       ASP  29  -7.455   4.217  -3.077
  221    HB2  ASP  29          2HB       ASP  29  -8.903   3.126  -5.481
  222    HB3  ASP  29          1HB       ASP  29  -9.702   3.368  -3.931
  223    H    ALA  30           H        ALA  30  -5.812   2.657  -2.317
  224    HA   ALA  30           HA       ALA  30  -6.836  -0.037  -2.002
  225    HB1  ALA  30          1HB       ALA  30  -4.805  -0.415  -0.680
  226    HB2  ALA  30          2HB       ALA  30  -4.404   1.298  -0.806
  227    HB3  ALA  30          3HB       ALA  30  -4.423   0.288  -2.251
  228    H    LYS  31           H        LYS  31  -6.998  -0.901   0.228
  229    HA   LYS  31           HA       LYS  31  -8.680   0.792   1.793
  230    HB2  LYS  31          2HB       LYS  31  -7.555  -1.970   2.298
  231    HB3  LYS  31          1HB       LYS  31  -8.693  -1.166   3.366
  232    HG2  LYS  31          2HG       LYS  31 -10.320  -1.081   1.506
  233    HG3  LYS  31          1HG       LYS  31  -9.181  -1.994   0.513
  234    HD2  LYS  31          2HD       LYS  31  -9.310  -3.876   1.937
  235    HD3  LYS  31          1HD       LYS  31 -10.164  -2.969   3.176
  236    HE2  LYS  31          2HE       LYS  31 -12.003  -2.655   1.455
  237    HE3  LYS  31          1HE       LYS  31 -11.166  -3.874   0.500
  238    HZ1  LYS  31          1HZ       LYS  31 -12.919  -4.847   1.854
  239    HZ2  LYS  31          2HZ       LYS  31 -12.207  -4.249   3.250
  240    HZ3  LYS  31          3HZ       LYS  31 -11.421  -5.440   2.379
  241    H    TYR  32           H        TYR  32  -5.429  -0.490   1.956
  242    HA   TYR  32           HA       TYR  32  -4.475   1.780   3.255
  243    HB2  TYR  32          2HB       TYR  32  -3.580   0.737   5.308
  244    HB3  TYR  32          1HB       TYR  32  -5.335   0.741   5.317
  245    HD1  TYR  32          1HD       TYR  32  -2.300  -1.313   5.260
  246    HD2  TYR  32          2HD       TYR  32  -6.553  -1.405   5.180
  247    HE1  TYR  32          1HE       TYR  32  -2.252  -3.685   5.817
  248    HE2  TYR  32          2HE       TYR  32  -6.508  -3.786   5.738
  249    HH   TYR  32           HH       TYR  32  -3.740  -5.356   6.852
  250    H    GLY  33           H        GLY  33  -2.135   1.599   3.585
  251    HA2  GLY  33          2HA       GLY  33  -0.943  -0.473   1.882
  252    HA3  GLY  33          1HA       GLY  33  -0.390   1.207   1.881
  253    H    SER  34           H        SER  34   0.854  -1.464   2.747
  254    HA   SER  34           HA       SER  34   1.950  -0.342   5.187
  255    HB2  SER  34          2HB       SER  34   0.782  -3.128   5.057
  256    HB3  SER  34          1HB       SER  34   1.768  -2.511   6.384
  257    HG   SER  34           HG       SER  34  -0.116  -0.729   5.936
  258    H    CYS  35           H        CYS  35   3.962  -1.230   5.797
  259    HA   CYS  35           HA       CYS  35   5.511  -1.834   3.461
  260    HB2  CYS  35          2HB       CYS  35   6.275  -0.110   4.982
  261    HB3  CYS  35          1HB       CYS  35   6.322  -1.273   6.301
  262    H    SER  36           H        SER  36   6.019  -3.682   2.848
  263    HA   SER  36           HA       SER  36   6.280  -5.903   4.721
  264    HB2  SER  36          2HB       SER  36   5.434  -5.994   1.812
  265    HB3  SER  36          1HB       SER  36   5.432  -7.328   2.967
  266    HG   SER  36           HG       SER  36   3.973  -5.551   4.122
  267    H    HIS  37           H        HIS  37   8.457  -6.229   4.897
  268    HA   HIS  37           HA       HIS  37  10.600  -6.723   4.403
  269    HB2  HIS  37          2HB       HIS  37   9.605  -7.178   1.586
  270    HB3  HIS  37          1HB       HIS  37  11.159  -7.704   2.211
  271    HD1  HIS  37          1HD       HIS  37  11.100  -9.786   3.849
  272    HD2  HIS  37          2HD       HIS  37   7.450  -8.760   2.151
  273    HE1  HIS  37          1HE       HIS  37   9.565 -11.746   4.260
  274    H    GLY  38           H        GLY  38   9.533  -3.914   3.906
  275    HA2  GLY  38          2HA       GLY  38  10.928  -2.025   3.655
  276    HA3  GLY  38          1HA       GLY  38  12.029  -2.999   2.688
  277    H    ASP  39           H        ASP  39   8.802  -3.377   1.852
  278    HA   ASP  39           HA       ASP  39   8.799  -1.200  -0.139
  279    HB2  ASP  39          2HB       ASP  39   7.981  -4.077  -0.587
  280    HB3  ASP  39          1HB       ASP  39   7.532  -2.778  -1.677
  281    H    CYS  40           H        CYS  40   6.559  -0.541  -0.582
  282    HA   CYS  40           HA       CYS  40   4.899  -1.449   1.625
  283    HB2  CYS  40          2HB       CYS  40   4.758   1.089   0.031
  284    HB3  CYS  40          1HB       CYS  40   3.623   0.571   1.286
  285    H    TYR  41           H        TYR  41   3.342  -2.734   1.269
  286    HA   TYR  41           HA       TYR  41   2.480  -3.158  -1.466
  287    HB2  TYR  41          2HB       TYR  41   2.344  -4.834   1.026
  288    HB3  TYR  41          1HB       TYR  41   1.303  -5.187  -0.349
  289    HD1  TYR  41          1HD       TYR  41   4.897  -4.155  -0.106
  290    HD2  TYR  41          2HD       TYR  41   2.102  -7.066  -1.436
  291    HE1  TYR  41          1HE       TYR  41   6.701  -5.388  -1.191
  292    HE2  TYR  41          2HE       TYR  41   3.914  -8.312  -2.521
  293    HH   TYR  41           HH       TYR  41   7.208  -7.593  -1.946
  294    H    CYS  42           H        CYS  42   0.311  -3.362  -1.972
  295    HA   CYS  42           HA       CYS  42  -1.306  -1.449  -0.491
  296    HB2  CYS  42          2HB       CYS  42  -1.417  -2.436  -3.323
  297    HB3  CYS  42          1HB       CYS  42  -2.635  -1.396  -2.599
  298    H    TYR  43           H        TYR  43  -2.984  -2.118   0.625
  299    HA   TYR  43           HA       TYR  43  -3.816  -4.856   0.204
  300    HB2  TYR  43          2HB       TYR  43  -3.993  -3.073   2.635
  301    HB3  TYR  43          1HB       TYR  43  -4.739  -4.666   2.532
  302    HD1  TYR  43          1HD       TYR  43  -3.492  -6.580   3.067
  303    HD2  TYR  43          2HD       TYR  43  -1.421  -2.955   2.279
  304    HE1  TYR  43          1HE       TYR  43  -1.376  -7.638   3.737
  305    HE2  TYR  43          2HE       TYR  43   0.689  -4.004   2.943
  306    HH   TYR  43           HH       TYR  43   1.467  -5.875   4.291
  307    H    TYR  44           H        TYR  44  -5.586  -5.222  -0.694
  308    HA   TYR  44           HA       TYR  44  -7.780  -3.214  -0.745
  309    HB2  TYR  44          2HB       TYR  44  -7.129  -5.226  -2.922
  310    HB3  TYR  44          1HB       TYR  44  -8.310  -3.939  -2.993
  311    HD1  TYR  44          1HD       TYR  44  -4.866  -4.891  -3.473
  312    HD2  TYR  44          2HD       TYR  44  -7.530  -1.588  -3.340
  313    HE1  TYR  44          1HE       TYR  44  -3.242  -3.551  -4.698
  314    HE2  TYR  44          2HE       TYR  44  -5.902  -0.216  -4.559
  315    HH   TYR  44           HH       TYR  44  -3.399  -0.212  -4.943
  316    H    HIS  45           H        HIS  45  -9.590  -4.982  -1.994
  317    HA   HIS  45           HA       HIS  45  -9.549  -7.360  -0.287
  318    HB2  HIS  45          2HB       HIS  45 -11.994  -7.539  -0.616
  319    HB3  HIS  45          1HB       HIS  45 -11.573  -5.997   0.109
  320    HD1  HIS  45          1HD       HIS  45 -13.167  -7.500  -2.949
  321    HD2  HIS  45          2HD       HIS  45 -12.031  -3.755  -1.544
  322    HE1  HIS  45          1HE       HIS  45 -14.310  -5.838  -4.414
  323    H    CYS  46           H        CYS  46  -9.625  -9.379  -1.270
  324    HA   CYS  46           HA       CYS  46  -9.833  -9.438  -4.171
  325    HB2  CYS  46          2HB       CYS  46  -7.844 -10.886  -2.422
  326    HB3  CYS  46          1HB       CYS  46  -8.088 -11.185  -4.132
  Start of MODEL    5
    1    H1   ALA   1           H        ALA   1 -13.849  -8.125   5.858
    2    HA   ALA   1           HA       ALA   1 -14.054 -10.191   3.879
    3    HB1  ALA   1          1HB       ALA   1 -14.643  -7.857   3.421
    4    HB2  ALA   1          2HB       ALA   1 -13.375  -8.396   2.320
    5    HB3  ALA   1          3HB       ALA   1 -12.972  -7.370   3.691
    6    H    LYS   2           H        LYS   2 -12.085 -10.255   2.167
    7    HA   LYS   2           HA       LYS   2  -9.757 -10.804   3.826
    8    HB2  LYS   2          2HB       LYS   2  -9.011 -12.365   2.029
    9    HB3  LYS   2          1HB       LYS   2 -10.511 -12.847   2.795
   10    HG2  LYS   2          2HG       LYS   2 -11.752 -11.953   0.880
   11    HG3  LYS   2          1HG       LYS   2 -10.209 -11.518   0.124
   12    HD2  LYS   2          2HD       LYS   2  -9.554 -13.881   0.168
   13    HD3  LYS   2          1HD       LYS   2 -11.101 -14.287   0.894
   14    HE2  LYS   2          2HE       LYS   2 -12.273 -13.453  -1.083
   15    HE3  LYS   2          1HE       LYS   2 -10.733 -13.006  -1.813
   16    HZ1  LYS   2          1HZ       LYS   2 -11.578 -15.760  -1.113
   17    HZ2  LYS   2          2HZ       LYS   2 -10.099 -15.343  -1.755
   18    HZ3  LYS   2          3HZ       LYS   2 -11.498 -15.124  -2.670
   19    H    HIS   3           H        HIS   3  -7.762 -10.124   3.216
   20    HA   HIS   3           HA       HIS   3  -7.974  -7.690   1.675
   21    HB2  HIS   3          2HB       HIS   3  -5.806  -7.066   2.772
   22    HB3  HIS   3          1HB       HIS   3  -7.201  -7.181   3.835
   23    HD1  HIS   3          1HD       HIS   3  -6.919  -8.715   5.868
   24    HD2  HIS   3          2HD       HIS   3  -3.951  -9.250   3.008
   25    HE1  HIS   3          1HE       HIS   3  -5.198 -10.217   6.923
   26    H    CYS   4           H        CYS   4  -7.122  -7.364  -0.105
   27    HA   CYS   4           HA       CYS   4  -5.185  -9.235  -1.186
   28    HB2  CYS   4          2HB       CYS   4  -7.259  -7.448  -2.359
   29    HB3  CYS   4          1HB       CYS   4  -5.850  -7.748  -3.345
   30    H    GLY   5           H        GLY   5  -3.179  -8.622  -0.792
   31    HA2  GLY   5          2HA       GLY   5  -2.556  -5.820  -0.359
   32    HA3  GLY   5          1HA       GLY   5  -1.472  -7.184  -0.126
   33    H    LYS   6           H        LYS   6  -1.586  -4.523  -1.726
   34    HA   LYS   6           HA       LYS   6  -1.061  -5.322  -4.401
   35    HB2  LYS   6          2HB       LYS   6  -1.836  -3.099  -3.745
   36    HB3  LYS   6          1HB       LYS   6  -0.257  -2.789  -3.016
   37    HG2  LYS   6          2HG       LYS   6   0.787  -3.049  -5.229
   38    HG3  LYS   6          1HG       LYS   6  -0.800  -3.330  -5.937
   39    HD2  LYS   6          2HD       LYS   6  -0.211  -1.044  -6.353
   40    HD3  LYS   6          1HD       LYS   6  -1.480  -1.065  -5.140
   41    HE2  LYS   6          2HE       LYS   6   0.180  -0.740  -3.369
   42    HE3  LYS   6          1HE       LYS   6   1.470  -0.761  -4.569
   43    HZ1  LYS   6          1HZ       LYS   6   0.532   1.234  -5.553
   44    HZ2  LYS   6          2HZ       LYS   6   0.846   1.495  -3.912
   45    HZ3  LYS   6          3HZ       LYS   6  -0.731   1.235  -4.445
   46    H    HIS   7           H        HIS   7   0.607  -6.254  -5.016
   47    HA   HIS   7           HA       HIS   7   2.898  -6.650  -3.380
   48    HB2  HIS   7          2HB       HIS   7   2.040  -7.624  -6.071
   49    HB3  HIS   7          1HB       HIS   7   3.662  -7.916  -5.470
   50    HD1  HIS   7          1HD       HIS   7   0.096  -9.033  -5.035
   51    HD2  HIS   7          2HD       HIS   7   3.812  -9.651  -3.271
   52    HE1  HIS   7          1HE       HIS   7  -0.163 -11.063  -3.583
   53    H    SER   8           H        SER   8   5.011  -6.146  -3.912
   54    HA   SER   8           HA       SER   8   5.222  -3.541  -5.088
   55    HB2  SER   8          2HB       SER   8   6.372  -4.141  -2.972
   56    HB3  SER   8          1HB       SER   8   7.354  -5.302  -3.854
   57    HG   SER   8           HG       SER   8   8.361  -3.308  -3.477
   58    H    LYS   9           H        LYS   9   4.693  -4.120  -7.201
   59    HA   LYS   9           HA       LYS   9   6.773  -5.575  -8.663
   60    HB2  LYS   9          2HB       LYS   9   4.009  -4.748  -9.537
   61    HB3  LYS   9          1HB       LYS   9   5.182  -5.520 -10.589
   62    HG2  LYS   9          2HG       LYS   9   3.946  -6.711  -8.110
   63    HG3  LYS   9          1HG       LYS   9   3.578  -7.134  -9.782
   64    HD2  LYS   9          2HD       LYS   9   5.975  -7.802 -10.056
   65    HD3  LYS   9          1HD       LYS   9   6.186  -7.561  -8.322
   66    HE2  LYS   9          2HE       LYS   9   5.814  -9.903  -8.770
   67    HE3  LYS   9          1HE       LYS   9   4.421  -9.240  -7.914
   68    HZ1  LYS   9          1HZ       LYS   9   3.242  -9.094  -9.997
   69    HZ2  LYS   9          2HZ       LYS   9   3.785 -10.678  -9.774
   70    HZ3  LYS   9          3HZ       LYS   9   4.584  -9.654 -10.842
   71    H    SER  10           H        SER  10   4.827  -2.634  -9.186
   72    HA   SER  10           HA       SER  10   7.139  -1.552 -10.636
   73    HB2  SER  10          2HB       SER  10   4.204  -0.885 -10.894
   74    HB3  SER  10          1HB       SER  10   5.510  -0.191 -11.856
   75    HG   SER  10           HG       SER  10   4.192  -2.185 -12.594
   76    H    TRP  11           H        TRP  11   6.296  -1.417  -7.660
   77    HA   TRP  11           HA       TRP  11   6.260   1.505  -7.478
   78    HB2  TRP  11          2HB       TRP  11   4.973  -0.456  -5.555
   79    HB3  TRP  11          1HB       TRP  11   5.004   1.295  -5.367
   80    HD1  TRP  11           HD       TRP  11   3.425   2.723  -6.983
   81    HE1  TRP  11          1HE       TRP  11   1.314   2.079  -8.366
   82    HE3  TRP  11          3HE       TRP  11   3.896  -2.342  -6.882
   83    HZ2  TRP  11          2HZ       TRP  11   0.061  -0.265  -9.280
   84    HZ3  TRP  11          3HZ       TRP  11   2.209  -3.720  -8.037
   85    HH2  TRP  11           HH       TRP  11   0.333  -2.687  -9.207
   86    H    ASN  12           H        ASN  12   8.388   1.853  -7.239
   87    HA   ASN  12           HA       ASN  12   9.683   0.468  -5.025
   88    HB2  ASN  12          2HB       ASN  12  11.838   0.780  -6.106
   89    HB3  ASN  12          1HB       ASN  12  10.754  -0.121  -7.150
   90   HD21  ASN  12          1HD2      ASN  12  13.148   1.390  -7.736
   91   HD22  ASN  12          2HD2      ASN  12  12.731   2.567  -8.919
   92    H    GLY  13           H        GLY  13  11.197   1.647  -3.789
   93    HA2  GLY  13          2HA       GLY  13  12.079   4.097  -3.763
   94    HA3  GLY  13          1HA       GLY  13  10.366   4.391  -3.440
   95    H    LYS  14           H        LYS  14  11.211   5.205  -1.391
   96    HA   LYS  14           HA       LYS  14  12.112   3.205   0.486
   97    HB2  LYS  14          2HB       LYS  14  13.068   5.442   0.588
   98    HB3  LYS  14          1HB       LYS  14  11.468   6.139   0.789
   99    HG2  LYS  14          2HG       LYS  14  11.259   5.035   2.944
  100    HG3  LYS  14          1HG       LYS  14  12.858   4.324   2.748
  101    HD2  LYS  14          2HD       LYS  14  13.834   6.560   2.645
  102    HD3  LYS  14          1HD       LYS  14  12.231   7.270   2.824
  103    HE2  LYS  14          2HE       LYS  14  12.000   6.162   4.994
  104    HE3  LYS  14          1HE       LYS  14  13.629   5.510   4.821
  105    HZ1  LYS  14          1HZ       LYS  14  12.923   8.390   4.949
  106    HZ2  LYS  14          2HZ       LYS  14  14.478   7.772   4.780
  107    HZ3  LYS  14          3HZ       LYS  14  13.615   7.480   6.186
  108    H    CYS  15           H        CYS  15  10.885   2.425   2.151
  109    HA   CYS  15           HA       CYS  15   8.071   2.493   1.658
  110    HB2  CYS  15          2HB       CYS  15   9.321   0.394   2.267
  111    HB3  CYS  15          1HB       CYS  15   9.518   1.060   3.884
  112    H    PHE  16           H        PHE  16   7.332   4.417   2.181
  113    HA   PHE  16           HA       PHE  16   7.714   5.421   4.894
  114    HB2  PHE  16          2HB       PHE  16   6.354   6.587   2.465
  115    HB3  PHE  16          1HB       PHE  16   6.307   7.343   4.051
  116    HD1  PHE  16          1HD       PHE  16   8.353   8.337   4.988
  117    HD2  PHE  16          2HD       PHE  16   8.266   6.739   1.041
  118    HE1  PHE  16          1HE       PHE  16  10.379   9.603   4.432
  119    HE2  PHE  16          2HE       PHE  16  10.289   8.005   0.482
  120    HZ   PHE  16           HZ       PHE  16  11.352   9.444   2.181
  121    H    HIS  17           H        HIS  17   6.422   4.474   6.283
  122    HA   HIS  17           HA       HIS  17   4.260   2.857   5.735
  123    HB2  HIS  17          2HB       HIS  17   4.979   4.323   8.272
  124    HB3  HIS  17          1HB       HIS  17   3.648   3.182   8.179
  125    HD1  HIS  17          1HD       HIS  17   4.358   1.002   9.180
  126    HD2  HIS  17          2HD       HIS  17   7.476   2.836   7.118
  127    HE1  HIS  17          1HE       HIS  17   6.345  -0.507   9.433
  128    H    LYS  18           H        LYS  18   4.069   6.202   6.976
  129    HA   LYS  18           HA       LYS  18   1.222   6.162   6.757
  130    HB2  LYS  18          2HB       LYS  18   2.418   7.538   8.476
  131    HB3  LYS  18          1HB       LYS  18   2.995   8.581   7.183
  132    HG2  LYS  18          2HG       LYS  18   0.698   9.150   6.591
  133    HG3  LYS  18          1HG       LYS  18   0.100   8.104   7.873
  134    HD2  LYS  18          2HD       LYS  18   1.220   9.549   9.532
  135    HD3  LYS  18          1HD       LYS  18   1.767  10.603   8.223
  136    HE2  LYS  18          2HE       LYS  18  -0.608  10.933   7.571
  137    HE3  LYS  18          1HE       LYS  18  -1.089   9.993   8.971
  138    HZ1  LYS  18          1HZ       LYS  18  -1.223  12.365   9.385
  139    HZ2  LYS  18          2HZ       LYS  18   0.411  12.563   9.082
  140    HZ3  LYS  18          3HZ       LYS  18  -0.098  11.659  10.411
  141    H    LYS  19           H        LYS  19   3.853   7.472   4.825
  142    HA   LYS  19           HA       LYS  19   2.123   8.948   3.125
  143    HB2  LYS  19          2HB       LYS  19   4.956   8.065   2.589
  144    HB3  LYS  19          1HB       LYS  19   4.050   9.155   1.564
  145    HG2  LYS  19          2HG       LYS  19   4.847   9.663   4.430
  146    HG3  LYS  19          1HG       LYS  19   5.588  10.374   3.000
  147    HD2  LYS  19          2HD       LYS  19   2.726  10.789   3.907
  148    HD3  LYS  19          1HD       LYS  19   4.044  11.932   4.105
  149    HE2  LYS  19          2HE       LYS  19   4.267  12.111   1.679
  150    HE3  LYS  19          1HE       LYS  19   2.950  10.962   1.466
  151    HZ1  LYS  19          1HZ       LYS  19   1.455  12.534   2.565
  152    HZ2  LYS  19          2HZ       LYS  19   2.194  13.240   1.225
  153    HZ3  LYS  19          3HZ       LYS  19   2.726  13.632   2.760
  154    H    CYS  20           H        CYS  20   3.548   5.688   2.772
  155    HA   CYS  20           HA       CYS  20   2.337   5.286   0.245
  156    HB2  CYS  20          2HB       CYS  20   3.276   3.260   2.293
  157    HB3  CYS  20          1HB       CYS  20   2.698   2.865   0.678
  158    H    ASN  21           H        ASN  21   1.304   4.701   3.605
  159    HA   ASN  21           HA       ASN  21  -1.026   3.294   3.079
  160    HB2  ASN  21          2HB       ASN  21  -0.233   3.652   5.368
  161    HB3  ASN  21          1HB       ASN  21  -0.566   5.375   5.232
  162   HD21  ASN  21          1HD2      ASN  21  -2.697   6.109   5.465
  163   HD22  ASN  21          2HD2      ASN  21  -3.968   5.082   5.971
  164    H    HIS  22           H        HIS  22  -0.613   6.797   3.341
  165    HA   HIS  22           HA       HIS  22  -3.314   7.244   2.627
  166    HB2  HIS  22          2HB       HIS  22  -1.014   9.133   2.978
  167    HB3  HIS  22          1HB       HIS  22  -2.610   9.682   2.468
  168    HD1  HIS  22          1HD       HIS  22  -4.382   9.923   4.286
  169    HD2  HIS  22          2HD       HIS  22  -0.937   8.023   5.590
  170    HE1  HIS  22          1HE       HIS  22  -4.648   9.670   6.756
  171    H    TRP  23           H        TRP  23  -0.363   7.137   0.774
  172    HA   TRP  23           HA       TRP  23  -1.210   8.334  -1.623
  173    HB2  TRP  23          2HB       TRP  23   1.117   7.433  -1.037
  174    HB3  TRP  23          1HB       TRP  23   0.493   5.832  -1.376
  175    HD1  TRP  23           HD       TRP  23  -0.737   5.934  -4.149
  176    HE1  TRP  23          1HE       TRP  23   0.579   6.673  -6.247
  177    HE3  TRP  23          3HE       TRP  23   3.002   8.580  -1.882
  178    HZ2  TRP  23          2HZ       TRP  23   2.894   8.158  -6.844
  179    HZ3  TRP  23          3HZ       TRP  23   4.736   9.614  -3.293
  180    HH2  TRP  23           HH       TRP  23   4.676   9.403  -5.717
  181    H    CYS  24           H        CYS  24  -1.292   4.994  -0.563
  182    HA   CYS  24           HA       CYS  24  -2.831   4.043  -2.710
  183    HB2  CYS  24          2HB       CYS  24  -2.165   2.916  -0.019
  184    HB3  CYS  24          1HB       CYS  24  -2.993   1.988  -1.255
  185    H    MET  25           H        MET  25  -3.684   4.956   0.614
  186    HA   MET  25           HA       MET  25  -6.355   4.125   0.556
  187    HB2  MET  25          2HB       MET  25  -5.145   4.673   2.612
  188    HB3  MET  25          1HB       MET  25  -5.059   6.352   2.116
  189    HG2  MET  25          2HG       MET  25  -7.460   6.567   2.326
  190    HG3  MET  25          1HG       MET  25  -7.588   4.858   2.754
  191    HE1  MET  25          1HE       MET  25  -8.959   5.601   4.942
  192    HE2  MET  25          2HE       MET  25  -8.755   7.297   4.504
  193    HE3  MET  25          3HE       MET  25  -8.341   6.751   6.129
  194    H    GLU  26           H        GLU  26  -4.919   7.269  -0.267
  195    HA   GLU  26           HA       GLU  26  -7.470   8.451  -0.811
  196    HB2  GLU  26          2HB       GLU  26  -5.457   9.672   0.061
  197    HB3  GLU  26          1HB       GLU  26  -4.706   9.449  -1.506
  198    HG2  GLU  26          2HG       GLU  26  -5.589  11.670  -1.331
  199    HG3  GLU  26          1HG       GLU  26  -6.520  10.766  -2.528
  200    H    LYS  27           H        LYS  27  -4.648   7.574  -2.872
  201    HA   LYS  27           HA       LYS  27  -6.161   8.270  -5.200
  202    HB2  LYS  27          2HB       LYS  27  -3.829   8.865  -5.183
  203    HB3  LYS  27          1HB       LYS  27  -3.355   7.194  -4.931
  204    HG2  LYS  27          2HG       LYS  27  -2.967   7.850  -7.241
  205    HG3  LYS  27          1HG       LYS  27  -4.223   6.616  -7.146
  206    HD2  LYS  27          2HD       LYS  27  -5.929   8.436  -7.273
  207    HD3  LYS  27          1HD       LYS  27  -4.620   9.583  -7.550
  208    HE2  LYS  27          2HE       LYS  27  -5.347   7.228  -9.295
  209    HE3  LYS  27          1HE       LYS  27  -5.680   8.916  -9.644
  210    HZ1  LYS  27          1HZ       LYS  27  -3.006   7.631  -9.485
  211    HZ2  LYS  27          2HZ       LYS  27  -3.261   9.292  -9.632
  212    HZ3  LYS  27          3HZ       LYS  27  -3.763   8.260 -10.853
  213    H    GLU  28           H        GLU  28  -5.192   5.171  -3.739
  214    HA   GLU  28           HA       GLU  28  -6.297   3.848  -6.127
  215    HB2  GLU  28          2HB       GLU  28  -4.724   2.629  -3.864
  216    HB3  GLU  28          1HB       GLU  28  -5.152   1.861  -5.385
  217    HG2  GLU  28          2HG       GLU  28  -3.728   3.456  -6.575
  218    HG3  GLU  28          1HG       GLU  28  -3.284   4.194  -5.036
  219    H    ASP  29           H        ASP  29  -7.253   4.915  -3.263
  220    HA   ASP  29           HA       ASP  29  -8.679   4.407  -1.634
  221    HB2  ASP  29          2HB       ASP  29 -10.315   4.756  -3.424
  222    HB3  ASP  29          1HB       ASP  29 -10.183   3.068  -3.901
  223    H    ALA  30           H        ALA  30  -6.705   3.058  -1.212
  224    HA   ALA  30           HA       ALA  30  -7.308   0.241  -0.848
  225    HB1  ALA  30          1HB       ALA  30  -4.936   1.880   0.049
  226    HB2  ALA  30          2HB       ALA  30  -5.011   0.895  -1.412
  227    HB3  ALA  30          3HB       ALA  30  -5.083   0.127   0.175
  228    H    LYS  31           H        LYS  31  -7.271  -0.684   1.234
  229    HA   LYS  31           HA       LYS  31  -8.759   0.914   3.083
  230    HB2  LYS  31          2HB       LYS  31  -7.685  -1.902   3.321
  231    HB3  LYS  31          1HB       LYS  31  -8.664  -1.119   4.555
  232    HG2  LYS  31          2HG       LYS  31 -10.458  -0.833   2.889
  233    HG3  LYS  31          1HG       LYS  31  -9.480  -1.738   1.734
  234    HD2  LYS  31          2HD       LYS  31  -9.589  -3.703   3.095
  235    HD3  LYS  31          1HD       LYS  31 -10.364  -2.817   4.407
  236    HE2  LYS  31          2HE       LYS  31 -11.502  -3.307   1.668
  237    HE3  LYS  31          1HE       LYS  31 -12.012  -4.116   3.156
  238    HZ1  LYS  31          1HZ       LYS  31 -12.701  -1.876   3.978
  239    HZ2  LYS  31          2HZ       LYS  31 -13.545  -2.367   2.618
  240    HZ3  LYS  31          3HZ       LYS  31 -12.318  -1.239   2.466
  241    H    TYR  32           H        TYR  32  -5.659  -0.764   3.232
  242    HA   TYR  32           HA       TYR  32  -4.543   1.470   4.623
  243    HB2  TYR  32          2HB       TYR  32  -3.608  -0.022   6.456
  244    HB3  TYR  32          1HB       TYR  32  -5.318   0.366   6.575
  245    HD1  TYR  32          1HD       TYR  32  -6.991  -1.375   6.161
  246    HD2  TYR  32          2HD       TYR  32  -2.840  -2.296   6.125
  247    HE1  TYR  32          1HE       TYR  32  -7.528  -3.734   6.375
  248    HE2  TYR  32          2HE       TYR  32  -3.371  -4.682   6.332
  249    HH   TYR  32           HH       TYR  32  -6.535  -5.859   5.902
  250    H    GLY  33           H        GLY  33  -2.463   1.717   4.268
  251    HA2  GLY  33          2HA       GLY  33  -1.122  -0.371   2.711
  252    HA3  GLY  33          1HA       GLY  33  -0.690   1.342   2.656
  253    H    SER  34           H        SER  34   0.246  -1.532   3.777
  254    HA   SER  34           HA       SER  34   1.446  -0.420   6.220
  255    HB2  SER  34          2HB       SER  34   0.961  -3.315   5.531
  256    HB3  SER  34          1HB       SER  34   1.450  -2.655   7.085
  257    HG   SER  34           HG       SER  34  -0.712  -1.372   6.386
  258    H    CYS  35           H        CYS  35   3.613  -1.645   6.654
  259    HA   CYS  35           HA       CYS  35   5.029  -1.747   4.095
  260    HB2  CYS  35          2HB       CYS  35   5.673  -0.007   5.849
  261    HB3  CYS  35          1HB       CYS  35   6.239  -1.358   6.824
  262    H    SER  36           H        SER  36   5.698  -3.586   3.456
  263    HA   SER  36           HA       SER  36   5.887  -5.763   5.387
  264    HB2  SER  36          2HB       SER  36   5.415  -5.859   2.408
  265    HB3  SER  36          1HB       SER  36   5.440  -7.232   3.512
  266    HG   SER  36           HG       SER  36   3.381  -6.642   3.104
  267    H    HIS  37           H        HIS  37   8.001  -5.573   5.961
  268    HA   HIS  37           HA       HIS  37  10.238  -5.754   5.902
  269    HB2  HIS  37          2HB       HIS  37   9.588  -7.468   3.502
  270    HB3  HIS  37          1HB       HIS  37  11.179  -7.391   4.239
  271    HD1  HIS  37          1HD       HIS  37  11.466  -8.571   6.561
  272    HD2  HIS  37          2HD       HIS  37   7.681  -8.923   4.879
  273    HE1  HIS  37          1HE       HIS  37  10.270 -10.310   7.920
  274    H    GLY  38           H        GLY  38   9.271  -3.402   4.644
  275    HA2  GLY  38          2HA       GLY  38  10.729  -1.676   3.885
  276    HA3  GLY  38          1HA       GLY  38  11.630  -2.880   2.981
  277    H    ASP  39           H        ASP  39   8.504  -3.619   2.353
  278    HA   ASP  39           HA       ASP  39   8.393  -1.716   0.111
  279    HB2  ASP  39          2HB       ASP  39   7.612  -4.629   0.161
  280    HB3  ASP  39          1HB       ASP  39   7.074  -3.522  -1.097
  281    H    CYS  40           H        CYS  40   6.443  -0.788  -0.403
  282    HA   CYS  40           HA       CYS  40   4.600  -0.664   1.790
  283    HB2  CYS  40          2HB       CYS  40   4.612   0.768  -0.879
  284    HB3  CYS  40          1HB       CYS  40   3.529   1.111   0.464
  285    H    TYR  41           H        TYR  41   3.040  -2.108   1.989
  286    HA   TYR  41           HA       TYR  41   1.844  -3.199  -0.431
  287    HB2  TYR  41          2HB       TYR  41   2.409  -4.436   2.218
  288    HB3  TYR  41          1HB       TYR  41   0.973  -4.971   1.348
  289    HD1  TYR  41          1HD       TYR  41   4.593  -4.292   0.642
  290    HD2  TYR  41          2HD       TYR  41   1.198  -6.747  -0.075
  291    HE1  TYR  41          1HE       TYR  41   5.941  -5.731  -0.831
  292    HE2  TYR  41          2HE       TYR  41   2.528  -8.182  -1.531
  293    HH   TYR  41           HH       TYR  41   5.857  -8.107  -1.685
  294    H    CYS  42           H        CYS  42   0.095  -2.421  -0.947
  295    HA   CYS  42           HA       CYS  42  -1.620  -1.107   1.016
  296    HB2  CYS  42          2HB       CYS  42  -1.630  -0.956  -1.994
  297    HB3  CYS  42          1HB       CYS  42  -2.528   0.092  -0.904
  298    H    TYR  43           H        TYR  43  -3.266  -2.154   1.743
  299    HA   TYR  43           HA       TYR  43  -4.102  -4.565   0.378
  300    HB2  TYR  43          2HB       TYR  43  -4.641  -3.544   3.156
  301    HB3  TYR  43          1HB       TYR  43  -5.240  -5.071   2.517
  302    HD1  TYR  43          1HD       TYR  43  -3.722  -6.948   2.194
  303    HD2  TYR  43          2HD       TYR  43  -2.291  -3.244   3.690
  304    HE1  TYR  43          1HE       TYR  43  -1.658  -8.041   2.900
  305    HE2  TYR  43          2HE       TYR  43  -0.220  -4.317   4.397
  306    HH   TYR  43           HH       TYR  43   0.673  -7.456   3.429
  307    H    TYR  44           H        TYR  44  -5.830  -4.713  -0.684
  308    HA   TYR  44           HA       TYR  44  -8.027  -2.761  -0.358
  309    HB2  TYR  44          2HB       TYR  44  -7.522  -4.588  -2.706
  310    HB3  TYR  44          1HB       TYR  44  -8.584  -3.193  -2.644
  311    HD1  TYR  44          1HD       TYR  44  -7.480  -0.896  -2.464
  312    HD2  TYR  44          2HD       TYR  44  -5.352  -4.423  -3.459
  313    HE1  TYR  44          1HE       TYR  44  -5.694   0.460  -3.439
  314    HE2  TYR  44          2HE       TYR  44  -3.573  -3.074  -4.450
  315    HH   TYR  44           HH       TYR  44  -3.247   0.285  -4.161
  316    H    HIS  45           H        HIS  45 -10.151  -3.977  -1.003
  317    HA   HIS  45           HA       HIS  45 -10.064  -6.586   0.274
  318    HB2  HIS  45          2HB       HIS  45 -12.503  -6.581   0.279
  319    HB3  HIS  45          1HB       HIS  45 -11.932  -5.076   0.960
  320    HD1  HIS  45          1HD       HIS  45 -14.503  -6.276  -1.135
  321    HD2  HIS  45          2HD       HIS  45 -11.959  -2.991  -1.336
  322    HE1  HIS  45          1HE       HIS  45 -15.643  -4.613  -2.619
  323    H    CYS  46           H        CYS  46 -10.153  -8.416  -0.771
  324    HA   CYS  46           HA       CYS  46  -9.939  -8.592  -3.563
  325    HB2  CYS  46          2HB       CYS  46 -10.756 -10.713  -1.598
  326    HB3  CYS  46          1HB       CYS  46 -10.060 -10.975  -3.187
  Start of MODEL    6
    1    H1   ALA   1           H        ALA   1 -15.480  -9.121   5.859
    2    HA   ALA   1           HA       ALA   1 -14.563  -9.814   3.823
    3    HB1  ALA   1          1HB       ALA   1 -13.792  -6.922   3.409
    4    HB2  ALA   1          2HB       ALA   1 -15.216  -7.706   2.731
    5    HB3  ALA   1          3HB       ALA   1 -13.603  -8.223   2.234
    6    H    LYS   2           H        LYS   2 -12.287 -10.128   3.039
    7    HA   LYS   2           HA       LYS   2 -10.490 -10.023   5.336
    8    HB2  LYS   2          2HB       LYS   2 -10.869 -12.208   4.272
    9    HB3  LYS   2          1HB       LYS   2 -10.446 -11.537   2.710
   10    HG2  LYS   2          2HG       LYS   2  -8.651 -12.882   3.517
   11    HG3  LYS   2          1HG       LYS   2  -8.143 -11.195   3.537
   12    HD2  LYS   2          2HD       LYS   2  -8.606 -11.102   5.948
   13    HD3  LYS   2          1HD       LYS   2  -9.089 -12.799   5.914
   14    HE2  LYS   2          2HE       LYS   2  -6.367 -11.707   5.214
   15    HE3  LYS   2          1HE       LYS   2  -6.793 -12.554   6.697
   16    HZ1  LYS   2          1HZ       LYS   2  -5.707 -14.016   5.140
   17    HZ2  LYS   2          2HZ       LYS   2  -6.864 -13.714   3.956
   18    HZ3  LYS   2          3HZ       LYS   2  -7.295 -14.518   5.375
   19    H    HIS   3           H        HIS   3  -8.375  -9.124   5.038
   20    HA   HIS   3           HA       HIS   3  -8.244  -7.010   3.189
   21    HB2  HIS   3          2HB       HIS   3  -5.890  -6.801   3.806
   22    HB3  HIS   3          1HB       HIS   3  -6.953  -6.735   5.218
   23    HD1  HIS   3          1HD       HIS   3  -6.565  -8.660   6.983
   24    HD2  HIS   3          2HD       HIS   3  -4.131  -8.933   3.629
   25    HE1  HIS   3          1HE       HIS   3  -4.758 -10.314   7.561
   26    H    CYS   4           H        CYS   4  -7.594  -6.941   1.288
   27    HA   CYS   4           HA       CYS   4  -6.745  -9.413   0.065
   28    HB2  CYS   4          2HB       CYS   4  -8.840  -7.996  -0.542
   29    HB3  CYS   4          1HB       CYS   4  -7.677  -6.941  -1.318
   30    H    GLY   5           H        GLY   5  -4.592  -9.449  -0.027
   31    HA2  GLY   5          2HA       GLY   5  -3.082  -6.976  -0.165
   32    HA3  GLY   5          1HA       GLY   5  -2.431  -8.585   0.120
   33    H    LYS   6           H        LYS   6  -2.280  -6.184  -1.957
   34    HA   LYS   6           HA       LYS   6  -2.059  -8.004  -4.233
   35    HB2  LYS   6          2HB       LYS   6  -3.633  -6.125  -4.519
   36    HB3  LYS   6          1HB       LYS   6  -2.293  -4.998  -4.272
   37    HG2  LYS   6          2HG       LYS   6  -1.188  -6.017  -6.262
   38    HG3  LYS   6          1HG       LYS   6  -2.641  -6.972  -6.531
   39    HD2  LYS   6          2HD       LYS   6  -2.750  -5.058  -7.977
   40    HD3  LYS   6          1HD       LYS   6  -3.926  -4.820  -6.686
   41    HE2  LYS   6          2HE       LYS   6  -2.358  -3.347  -5.516
   42    HE3  LYS   6          1HE       LYS   6  -1.155  -3.627  -6.773
   43    HZ1  LYS   6          1HZ       LYS   6  -3.800  -2.347  -7.173
   44    HZ2  LYS   6          2HZ       LYS   6  -2.612  -2.545  -8.357
   45    HZ3  LYS   6          3HZ       LYS   6  -2.343  -1.527  -7.052
   46    H    HIS   7           H        HIS   7  -0.156  -8.355  -4.938
   47    HA   HIS   7           HA       HIS   7   2.184  -7.301  -3.667
   48    HB2  HIS   7          2HB       HIS   7   1.882  -9.657  -4.709
   49    HB3  HIS   7          1HB       HIS   7   2.103  -8.866  -6.261
   50    HD1  HIS   7          1HD       HIS   7   4.009 -10.818  -4.037
   51    HD2  HIS   7          2HD       HIS   7   4.717  -7.211  -5.995
   52    HE1  HIS   7          1HE       HIS   7   6.483 -10.538  -4.090
   53    H    SER   8           H        SER   8   3.091  -5.405  -4.193
   54    HA   SER   8           HA       SER   8   2.253  -4.196  -6.711
   55    HB2  SER   8          2HB       SER   8   1.377  -3.059  -4.736
   56    HB3  SER   8          1HB       SER   8   3.002  -2.900  -4.081
   57    HG   SER   8           HG       SER   8   1.712  -1.460  -6.052
   58    H    LYS   9           H        LYS   9   3.737  -2.645  -7.605
   59    HA   LYS   9           HA       LYS   9   6.484  -3.527  -7.670
   60    HB2  LYS   9          2HB       LYS   9   5.286  -2.911  -9.758
   61    HB3  LYS   9          1HB       LYS   9   5.027  -1.295  -9.126
   62    HG2  LYS   9          2HG       LYS   9   6.809  -1.340 -10.790
   63    HG3  LYS   9          1HG       LYS   9   7.419  -0.862  -9.204
   64    HD2  LYS   9          2HD       LYS   9   8.202  -3.143  -8.833
   65    HD3  LYS   9          1HD       LYS   9   7.630  -3.600 -10.441
   66    HE2  LYS   9          2HE       LYS   9   9.167  -2.011 -11.446
   67    HE3  LYS   9          1HE       LYS   9   9.700  -1.486  -9.851
   68    HZ1  LYS   9          1HZ       LYS   9  11.269  -3.041 -10.761
   69    HZ2  LYS   9          2HZ       LYS   9  10.061  -4.168 -11.050
   70    HZ3  LYS   9          3HZ       LYS   9  10.475  -3.790  -9.470
   71    H    SER  10           H        SER  10   4.513  -1.378  -6.004
   72    HA   SER  10           HA       SER  10   4.818  -0.051  -4.267
   73    HB2  SER  10          2HB       SER  10   6.621  -1.603  -3.575
   74    HB3  SER  10          1HB       SER  10   7.776  -0.679  -4.524
   75    HG   SER  10           HG       SER  10   8.024   0.488  -2.857
   76    H    TRP  11           H        TRP  11   6.083   1.981  -3.585
   77    HA   TRP  11           HA       TRP  11   6.106   3.798  -5.853
   78    HB2  TRP  11          2HB       TRP  11   4.643   4.395  -3.986
   79    HB3  TRP  11          1HB       TRP  11   5.968   4.211  -2.852
   80    HD1  TRP  11           HD       TRP  11   5.419   6.379  -6.023
   81    HE1  TRP  11          1HE       TRP  11   6.174   8.795  -5.472
   82    HE3  TRP  11          3HE       TRP  11   6.894   5.669  -1.208
   83    HZ2  TRP  11          2HZ       TRP  11   7.236  10.192  -3.267
   84    HZ3  TRP  11          3HZ       TRP  11   7.758   7.599   0.072
   85    HH2  TRP  11           HH       TRP  11   7.921   9.810  -0.951
   86    H    ASN  12           H        ASN  12   8.017   4.367  -6.613
   87    HA   ASN  12           HA       ASN  12  10.398   3.404  -5.433
   88    HB2  ASN  12          2HB       ASN  12  10.003   5.307  -7.758
   89    HB3  ASN  12          1HB       ASN  12  11.570   4.702  -7.238
   90   HD21  ASN  12          1HD2      ASN  12  12.080   2.525  -7.591
   91   HD22  ASN  12          2HD2      ASN  12  11.179   1.549  -8.685
   92    H    GLY  13           H        GLY  13  11.304   4.167  -3.776
   93    HA2  GLY  13          2HA       GLY  13  12.439   6.515  -3.278
   94    HA3  GLY  13          1HA       GLY  13  10.765   6.796  -2.784
   95    H    LYS  14           H        LYS  14  11.411   6.933  -0.588
   96    HA   LYS  14           HA       LYS  14  12.426   4.461   0.584
   97    HB2  LYS  14          2HB       LYS  14  13.244   6.776   1.294
   98    HB3  LYS  14          1HB       LYS  14  11.642   6.986   2.003
   99    HG2  LYS  14          2HG       LYS  14  13.061   6.332   3.772
  100    HG3  LYS  14          1HG       LYS  14  12.081   4.928   3.352
  101    HD2  LYS  14          2HD       LYS  14  13.949   4.042   2.006
  102    HD3  LYS  14          1HD       LYS  14  14.924   5.429   2.476
  103    HE2  LYS  14          2HE       LYS  14  13.836   3.273   4.283
  104    HE3  LYS  14          1HE       LYS  14  15.516   3.543   3.844
  105    HZ1  LYS  14          1HZ       LYS  14  15.375   5.722   4.963
  106    HZ2  LYS  14          2HZ       LYS  14  15.124   4.418   6.004
  107    HZ3  LYS  14          3HZ       LYS  14  13.806   5.322   5.473
  108    H    CYS  15           H        CYS  15  11.119   3.105   1.709
  109    HA   CYS  15           HA       CYS  15   8.280   3.629   1.562
  110    HB2  CYS  15          2HB       CYS  15   9.127   1.448   0.805
  111    HB3  CYS  15          1HB       CYS  15   9.774   1.135   2.408
  112    H    PHE  16           H        PHE  16   7.064   4.239   3.203
  113    HA   PHE  16           HA       PHE  16   7.868   3.720   5.967
  114    HB2  PHE  16          2HB       PHE  16   6.632   6.268   4.857
  115    HB3  PHE  16          1HB       PHE  16   6.817   5.909   6.563
  116    HD1  PHE  16          1HD       PHE  16   8.462   7.042   3.521
  117    HD2  PHE  16          2HD       PHE  16   9.030   5.959   7.598
  118    HE1  PHE  16          1HE       PHE  16  10.643   8.170   3.515
  119    HE2  PHE  16          2HE       PHE  16  11.218   7.078   7.588
  120    HZ   PHE  16           HZ       PHE  16  12.021   8.188   5.542
  121    H    HIS  17           H        HIS  17   6.059   3.143   7.231
  122    HA   HIS  17           HA       HIS  17   4.061   1.724   5.861
  123    HB2  HIS  17          2HB       HIS  17   4.913   1.358   8.258
  124    HB3  HIS  17          1HB       HIS  17   3.769   2.606   8.724
  125    HD1  HIS  17          1HD       HIS  17   1.147   1.973   8.541
  126    HD2  HIS  17          2HD       HIS  17   3.838  -1.086   7.662
  127    HE1  HIS  17          1HE       HIS  17  -0.198  -0.123   8.473
  128    H    LYS  18           H        LYS  18   3.732   4.719   7.741
  129    HA   LYS  18           HA       LYS  18   0.966   5.014   7.280
  130    HB2  LYS  18          2HB       LYS  18   2.283   6.102   9.125
  131    HB3  LYS  18          1HB       LYS  18   2.928   7.216   7.928
  132    HG2  LYS  18          2HG       LYS  18   0.637   7.979   7.439
  133    HG3  LYS  18          1HG       LYS  18   0.047   6.887   8.692
  134    HD2  LYS  18          2HD       LYS  18   1.416   8.088  10.351
  135    HD3  LYS  18          1HD       LYS  18   1.925   9.213   9.092
  136    HE2  LYS  18          2HE       LYS  18  -0.899   8.774  10.070
  137    HE3  LYS  18          1HE       LYS  18   0.122  10.168  10.406
  138    HZ1  LYS  18          1HZ       LYS  18   0.133  10.609   7.990
  139    HZ2  LYS  18          2HZ       LYS  18  -1.386  10.726   8.689
  140    HZ3  LYS  18          3HZ       LYS  18  -1.011   9.375   7.770
  141    H    LYS  19           H        LYS  19   3.780   6.350   5.646
  142    HA   LYS  19           HA       LYS  19   2.327   7.964   3.818
  143    HB2  LYS  19          2HB       LYS  19   5.103   6.825   3.679
  144    HB3  LYS  19          1HB       LYS  19   4.440   7.859   2.430
  145    HG2  LYS  19          2HG       LYS  19   4.190   9.672   4.015
  146    HG3  LYS  19          1HG       LYS  19   4.766   8.626   5.316
  147    HD2  LYS  19          2HD       LYS  19   6.923   8.445   4.310
  148    HD3  LYS  19          1HD       LYS  19   6.371   9.274   2.855
  149    HE2  LYS  19          2HE       LYS  19   6.422  10.517   5.595
  150    HE3  LYS  19          1HE       LYS  19   7.726  10.681   4.415
  151    HZ1  LYS  19          1HZ       LYS  19   6.149  11.698   2.905
  152    HZ2  LYS  19          2HZ       LYS  19   6.263  12.570   4.337
  153    HZ3  LYS  19          3HZ       LYS  19   4.920  11.583   4.053
  154    H    CYS  20           H        CYS  20   3.396   4.658   3.773
  155    HA   CYS  20           HA       CYS  20   2.819   4.032   1.101
  156    HB2  CYS  20          2HB       CYS  20   4.152   2.698   2.805
  157    HB3  CYS  20          1HB       CYS  20   2.611   2.196   3.485
  158    H    ASN  21           H        ASN  21   0.964   3.894   4.087
  159    HA   ASN  21           HA       ASN  21  -1.430   2.849   3.189
  160    HB2  ASN  21          2HB       ASN  21  -1.168   3.084   5.519
  161    HB3  ASN  21          1HB       ASN  21  -0.758   4.788   5.388
  162   HD21  ASN  21          1HD2      ASN  21  -2.378   6.289   5.435
  163   HD22  ASN  21          2HD2      ASN  21  -4.031   5.899   5.648
  164    H    HIS  22           H        HIS  22  -0.512   6.261   3.422
  165    HA   HIS  22           HA       HIS  22  -2.889   7.199   2.221
  166    HB2  HIS  22          2HB       HIS  22  -0.216   8.540   2.560
  167    HB3  HIS  22          1HB       HIS  22  -1.603   9.346   1.838
  168    HD1  HIS  22          1HD       HIS  22  -3.522  10.054   3.449
  169    HD2  HIS  22          2HD       HIS  22  -0.330   8.158   5.296
  170    HE1  HIS  22          1HE       HIS  22  -3.827  10.429   5.922
  171    H    TRP  23           H        TRP  23   0.248   6.341   0.882
  172    HA   TRP  23           HA       TRP  23  -0.196   7.295  -1.701
  173    HB2  TRP  23          2HB       TRP  23   2.042   6.568  -1.023
  174    HB3  TRP  23          1HB       TRP  23   1.470   4.910  -0.842
  175    HD1  TRP  23           HD       TRP  23   1.553   3.395  -2.963
  176    HE1  TRP  23          1HE       TRP  23   2.112   3.773  -5.450
  177    HE3  TRP  23          3HE       TRP  23   1.898   8.493  -2.957
  178    HZ2  TRP  23          2HZ       TRP  23   2.648   5.933  -7.166
  179    HZ3  TRP  23          3HZ       TRP  23   2.438   9.641  -5.064
  180    HH2  TRP  23           HH       TRP  23   2.804   8.384  -7.124
  181    H    CYS  24           H        CYS  24  -0.599   3.951  -0.524
  182    HA   CYS  24           HA       CYS  24  -1.784   3.007  -2.856
  183    HB2  CYS  24          2HB       CYS  24  -2.072   2.045  -0.012
  184    HB3  CYS  24          1HB       CYS  24  -2.728   1.187  -1.398
  185    H    MET  25           H        MET  25  -3.286   4.533  -0.040
  186    HA   MET  25           HA       MET  25  -5.935   3.972  -0.829
  187    HB2  MET  25          2HB       MET  25  -5.279   4.510   1.488
  188    HB3  MET  25          1HB       MET  25  -4.948   6.162   0.996
  189    HG2  MET  25          2HG       MET  25  -7.261   6.523   0.467
  190    HG3  MET  25          1HG       MET  25  -7.635   4.830   0.784
  191    HE1  MET  25          1HE       MET  25  -9.575   5.440   2.410
  192    HE2  MET  25          2HE       MET  25  -9.297   7.154   2.091
  193    HE3  MET  25          3HE       MET  25  -9.422   6.573   3.751
  194    H    GLU  26           H        GLU  26  -3.875   6.813  -1.334
  195    HA   GLU  26           HA       GLU  26  -5.949   8.305  -2.662
  196    HB2  GLU  26          2HB       GLU  26  -4.135   9.357  -1.348
  197    HB3  GLU  26          1HB       GLU  26  -2.964   8.753  -2.500
  198    HG2  GLU  26          2HG       GLU  26  -3.324  11.059  -2.946
  199    HG3  GLU  26          1HG       GLU  26  -4.074  10.134  -4.243
  200    H    LYS  27           H        LYS  27  -3.221   6.308  -3.631
  201    HA   LYS  27           HA       LYS  27  -3.269   7.120  -6.356
  202    HB2  LYS  27          2HB       LYS  27  -1.201   6.430  -5.311
  203    HB3  LYS  27          1HB       LYS  27  -1.853   4.836  -5.000
  204    HG2  LYS  27          2HG       LYS  27  -0.326   4.769  -6.841
  205    HG3  LYS  27          1HG       LYS  27  -1.955   4.430  -7.424
  206    HD2  LYS  27          2HD       LYS  27  -2.127   6.769  -8.183
  207    HD3  LYS  27          1HD       LYS  27  -0.470   7.045  -7.637
  208    HE2  LYS  27          2HE       LYS  27  -1.319   5.025  -9.704
  209    HE3  LYS  27          1HE       LYS  27  -0.608   6.594 -10.058
  210    HZ1  LYS  27          1HZ       LYS  27   1.428   5.878  -8.927
  211    HZ2  LYS  27          2HZ       LYS  27   1.022   4.812 -10.149
  212    HZ3  LYS  27          3HZ       LYS  27   0.732   4.385  -8.562
  213    H    GLU  28           H        GLU  28  -4.321   4.063  -4.750
  214    HA   GLU  28           HA       GLU  28  -5.638   3.438  -7.332
  215    HB2  GLU  28          2HB       GLU  28  -4.313   1.510  -5.446
  216    HB3  GLU  28          1HB       GLU  28  -5.134   1.057  -6.921
  217    HG2  GLU  28          2HG       GLU  28  -3.441   2.490  -8.146
  218    HG3  GLU  28          1HG       GLU  28  -2.601   2.636  -6.607
  219    H    ASP  29           H        ASP  29  -6.467   4.513  -4.597
  220    HA   ASP  29           HA       ASP  29  -7.847   4.186  -2.886
  221    HB2  ASP  29          2HB       ASP  29  -9.583   4.701  -4.532
  222    HB3  ASP  29          1HB       ASP  29  -9.664   3.007  -5.013
  223    H    ALA  30           H        ALA  30  -6.371   2.840  -2.036
  224    HA   ALA  30           HA       ALA  30  -7.367   0.125  -1.688
  225    HB1  ALA  30          1HB       ALA  30  -5.205  -0.306  -0.586
  226    HB2  ALA  30          2HB       ALA  30  -4.763   1.387  -0.818
  227    HB3  ALA  30          3HB       ALA  30  -4.980   0.335  -2.219
  228    H    LYS  31           H        LYS  31  -7.214  -0.543   0.661
  229    HA   LYS  31           HA       LYS  31  -8.731   1.421   2.152
  230    HB2  LYS  31          2HB       LYS  31  -7.838  -1.345   2.942
  231    HB3  LYS  31          1HB       LYS  31  -9.000  -0.338   3.804
  232    HG2  LYS  31          2HG       LYS  31 -10.463  -0.379   1.832
  233    HG3  LYS  31          1HG       LYS  31  -9.300  -1.416   1.021
  234    HD2  LYS  31          2HD       LYS  31 -11.091  -2.713   1.891
  235    HD3  LYS  31          1HD       LYS  31  -9.615  -3.103   2.763
  236    HE2  LYS  31          2HE       LYS  31 -11.523  -2.926   4.286
  237    HE3  LYS  31          1HE       LYS  31 -10.299  -1.697   4.590
  238    HZ1  LYS  31          1HZ       LYS  31 -12.562  -0.813   4.696
  239    HZ2  LYS  31          2HZ       LYS  31 -12.859  -1.258   3.112
  240    HZ3  LYS  31          3HZ       LYS  31 -11.718  -0.069   3.452
  241    H    TYR  32           H        TYR  32  -5.640  -0.108   2.168
  242    HA   TYR  32           HA       TYR  32  -4.432   2.023   3.510
  243    HB2  TYR  32          2HB       TYR  32  -3.592   0.788   5.472
  244    HB3  TYR  32          1HB       TYR  32  -5.341   0.929   5.518
  245    HD1  TYR  32          1HD       TYR  32  -6.750  -1.136   5.029
  246    HD2  TYR  32          2HD       TYR  32  -2.508  -1.299   5.472
  247    HE1  TYR  32          1HE       TYR  32  -6.889  -3.527   5.432
  248    HE2  TYR  32          2HE       TYR  32  -2.643  -3.701   5.858
  249    HH   TYR  32           HH       TYR  32  -5.456  -5.470   5.265
  250    H    GLY  33           H        GLY  33  -2.077   1.187   4.044
  251    HA2  GLY  33          2HA       GLY  33  -1.231  -0.690   1.998
  252    HA3  GLY  33          1HA       GLY  33  -0.505   0.923   2.063
  253    H    SER  34           H        SER  34   0.858  -1.554   2.536
  254    HA   SER  34           HA       SER  34   1.805  -0.851   5.173
  255    HB2  SER  34          2HB       SER  34   1.089  -3.683   4.376
  256    HB3  SER  34          1HB       SER  34   1.897  -3.207   5.865
  257    HG   SER  34           HG       SER  34  -0.182  -1.691   5.686
  258    H    CYS  35           H        CYS  35   3.957  -1.192   5.441
  259    HA   CYS  35           HA       CYS  35   5.407  -1.549   2.984
  260    HB2  CYS  35          2HB       CYS  35   5.826   0.300   4.743
  261    HB3  CYS  35          1HB       CYS  35   6.549  -0.977   5.715
  262    H    SER  36           H        SER  36   6.101  -3.474   2.471
  263    HA   SER  36           HA       SER  36   6.486  -5.479   4.576
  264    HB2  SER  36          2HB       SER  36   4.549  -5.969   3.112
  265    HB3  SER  36          1HB       SER  36   5.604  -5.884   1.706
  266    HG   SER  36           HG       SER  36   6.214  -7.842   2.073
  267    H    HIS  37           H        HIS  37   8.589  -5.605   4.898
  268    HA   HIS  37           HA       HIS  37  10.786  -6.019   4.599
  269    HB2  HIS  37          2HB       HIS  37   9.915  -6.883   1.834
  270    HB3  HIS  37          1HB       HIS  37  11.560  -7.051   2.425
  271    HD1  HIS  37          1HD       HIS  37  12.063  -9.224   3.564
  272    HD2  HIS  37          2HD       HIS  37   7.985  -8.452   3.363
  273    HE1  HIS  37          1HE       HIS  37  10.924 -11.323   4.362
  274    H    GLY  38           H        GLY  38   9.416  -3.451   3.656
  275    HA2  GLY  38          2HA       GLY  38  10.648  -1.440   3.333
  276    HA3  GLY  38          1HA       GLY  38  11.819  -2.360   2.397
  277    H    ASP  39           H        ASP  39   8.747  -3.329   1.470
  278    HA   ASP  39           HA       ASP  39   8.662  -1.270  -0.645
  279    HB2  ASP  39          2HB       ASP  39   8.094  -4.211  -0.882
  280    HB3  ASP  39          1HB       ASP  39   7.608  -3.072  -2.117
  281    H    CYS  40           H        CYS  40   6.590  -0.740  -1.427
  282    HA   CYS  40           HA       CYS  40   4.526  -0.920   0.527
  283    HB2  CYS  40          2HB       CYS  40   4.953   0.605  -1.957
  284    HB3  CYS  40          1HB       CYS  40   3.286   0.331  -1.449
  285    H    TYR  41           H        TYR  41   2.971  -2.238   0.654
  286    HA   TYR  41           HA       TYR  41   1.994  -3.564  -1.748
  287    HB2  TYR  41          2HB       TYR  41   2.391  -4.700   1.033
  288    HB3  TYR  41          1HB       TYR  41   1.286  -5.436  -0.120
  289    HD1  TYR  41          1HD       TYR  41   2.094  -7.156  -1.432
  290    HD2  TYR  41          2HD       TYR  41   4.888  -4.301   0.046
  291    HE1  TYR  41          1HE       TYR  41   3.942  -8.436  -2.416
  292    HE2  TYR  41          2HE       TYR  41   6.710  -5.581  -0.921
  293    HH   TYR  41           HH       TYR  41   6.293  -8.000  -3.188
  294    H    CYS  42           H        CYS  42  -0.081  -3.238  -2.096
  295    HA   CYS  42           HA       CYS  42  -1.457  -1.476  -0.217
  296    HB2  CYS  42          2HB       CYS  42  -2.122  -2.133  -3.086
  297    HB3  CYS  42          1HB       CYS  42  -2.864  -0.877  -2.104
  298    H    TYR  43           H        TYR  43  -3.367  -2.010   0.734
  299    HA   TYR  43           HA       TYR  43  -4.338  -4.701   0.171
  300    HB2  TYR  43          2HB       TYR  43  -4.183  -3.236   2.795
  301    HB3  TYR  43          1HB       TYR  43  -5.125  -4.703   2.564
  302    HD1  TYR  43          1HD       TYR  43  -4.091  -6.820   2.505
  303    HD2  TYR  43          2HD       TYR  43  -1.686  -3.322   2.533
  304    HE1  TYR  43          1HE       TYR  43  -2.118  -8.195   2.914
  305    HE2  TYR  43          2HE       TYR  43   0.299  -4.676   2.924
  306    HH   TYR  43           HH       TYR  43   0.779  -6.985   3.987
  307    H    TYR  44           H        TYR  44  -6.279  -4.969  -0.330
  308    HA   TYR  44           HA       TYR  44  -8.212  -2.736  -0.228
  309    HB2  TYR  44          2HB       TYR  44  -8.091  -5.061  -2.173
  310    HB3  TYR  44          1HB       TYR  44  -9.186  -3.692  -2.260
  311    HD1  TYR  44          1HD       TYR  44  -8.348  -1.497  -2.997
  312    HD2  TYR  44          2HD       TYR  44  -5.826  -4.912  -2.917
  313    HE1  TYR  44          1HE       TYR  44  -6.752  -0.330  -4.405
  314    HE2  TYR  44          2HE       TYR  44  -4.208  -3.767  -4.332
  315    HH   TYR  44           HH       TYR  44  -4.309  -0.439  -4.968
  316    H    HIS  45           H        HIS  45 -10.531  -3.951  -0.501
  317    HA   HIS  45           HA       HIS  45 -10.561  -6.096   1.493
  318    HB2  HIS  45          2HB       HIS  45 -13.005  -5.742   1.630
  319    HB3  HIS  45          1HB       HIS  45 -12.138  -4.277   2.018
  320    HD1  HIS  45          1HD       HIS  45 -12.401  -2.258   0.178
  321    HD2  HIS  45          2HD       HIS  45 -14.633  -5.701  -0.552
  322    HE1  HIS  45          1HE       HIS  45 -14.084  -1.643  -1.545
  323    H    CYS  46           H        CYS  46 -11.058  -8.163   1.028
  324    HA   CYS  46           HA       CYS  46 -12.517  -8.747  -1.380
  325    HB2  CYS  46          2HB       CYS  46  -9.853  -9.928  -0.586
  326    HB3  CYS  46          1HB       CYS  46 -10.992 -10.827  -1.569
  Start of MODEL    7
    1    H1   ALA   1           H        ALA   1 -14.605 -11.130   4.962
    2    HA   ALA   1           HA       ALA   1 -14.753  -9.153   3.174
    3    HB1  ALA   1          1HB       ALA   1 -15.069  -7.471   4.935
    4    HB2  ALA   1          2HB       ALA   1 -13.575  -7.206   4.015
    5    HB3  ALA   1          3HB       ALA   1 -13.502  -7.933   5.616
    6    H    LYS   2           H        LYS   2 -13.265  -9.936   1.889
    7    HA   LYS   2           HA       LYS   2 -11.045 -11.360   2.925
    8    HB2  LYS   2          2HB       LYS   2 -11.831 -10.686   0.097
    9    HB3  LYS   2          1HB       LYS   2 -10.503 -11.752   0.523
   10    HG2  LYS   2          2HG       LYS   2 -12.066 -13.315   1.533
   11    HG3  LYS   2          1HG       LYS   2 -13.401 -12.212   1.197
   12    HD2  LYS   2          2HD       LYS   2 -13.017 -12.435  -1.195
   13    HD3  LYS   2          1HD       LYS   2 -11.629 -13.480  -0.896
   14    HE2  LYS   2          2HE       LYS   2 -13.067 -15.149   0.116
   15    HE3  LYS   2          1HE       LYS   2 -14.462 -14.087  -0.060
   16    HZ1  LYS   2          1HZ       LYS   2 -14.263 -14.266  -2.448
   17    HZ2  LYS   2          2HZ       LYS   2 -14.357 -15.800  -1.774
   18    HZ3  LYS   2          3HZ       LYS   2 -12.880 -15.224  -2.311
   19    H    HIS   3           H        HIS   3  -9.566 -10.025   3.854
   20    HA   HIS   3           HA       HIS   3  -8.641  -7.660   2.535
   21    HB2  HIS   3          2HB       HIS   3  -7.658  -9.154   4.971
   22    HB3  HIS   3          1HB       HIS   3  -6.755  -7.805   4.295
   23    HD1  HIS   3          1HD       HIS   3  -7.130  -6.006   6.048
   24    HD2  HIS   3          2HD       HIS   3 -10.646  -7.913   4.902
   25    HE1  HIS   3          1HE       HIS   3  -9.004  -4.728   7.134
   26    H    CYS   4           H        CYS   4  -7.402  -7.620   0.898
   27    HA   CYS   4           HA       CYS   4  -5.608  -9.880   0.404
   28    HB2  CYS   4          2HB       CYS   4  -7.144  -8.154  -1.527
   29    HB3  CYS   4          1HB       CYS   4  -6.023  -9.418  -1.998
   30    H    GLY   5           H        GLY   5  -3.612  -9.225   0.769
   31    HA2  GLY   5          2HA       GLY   5  -2.841  -6.450   0.538
   32    HA3  GLY   5          1HA       GLY   5  -1.837  -7.784   1.088
   33    H    LYS   6           H        LYS   6  -2.651  -5.768  -1.490
   34    HA   LYS   6           HA       LYS   6  -1.570  -7.484  -3.522
   35    HB2  LYS   6          2HB       LYS   6  -3.344  -5.954  -4.142
   36    HB3  LYS   6          1HB       LYS   6  -2.378  -4.589  -3.569
   37    HG2  LYS   6          2HG       LYS   6  -0.677  -5.164  -5.306
   38    HG3  LYS   6          1HG       LYS   6  -1.807  -6.364  -5.923
   39    HD2  LYS   6          2HD       LYS   6  -3.398  -4.652  -6.492
   40    HD3  LYS   6          1HD       LYS   6  -2.404  -3.416  -5.711
   41    HE2  LYS   6          2HE       LYS   6  -0.607  -3.835  -7.320
   42    HE3  LYS   6          1HE       LYS   6  -1.584  -5.067  -8.102
   43    HZ1  LYS   6          1HZ       LYS   6  -1.642  -2.954  -9.278
   44    HZ2  LYS   6          2HZ       LYS   6  -2.317  -2.193  -7.922
   45    HZ3  LYS   6          3HZ       LYS   6  -3.173  -3.384  -8.720
   46    H    HIS   7           H        HIS   7   0.425  -7.558  -4.109
   47    HA   HIS   7           HA       HIS   7   2.428  -5.805  -3.017
   48    HB2  HIS   7          2HB       HIS   7   2.970  -8.203  -3.544
   49    HB3  HIS   7          1HB       HIS   7   2.590  -7.899  -5.232
   50    HD1  HIS   7          1HD       HIS   7   5.376  -7.590  -2.735
   51    HD2  HIS   7          2HD       HIS   7   4.549  -6.383  -6.628
   52    HE1  HIS   7          1HE       HIS   7   7.562  -6.877  -3.714
   53    H    SER   8           H        SER   8   2.135  -3.766  -3.714
   54    HA   SER   8           HA       SER   8   1.102  -2.977  -6.169
   55    HB2  SER   8          2HB       SER   8   2.976  -1.489  -4.310
   56    HB3  SER   8          1HB       SER   8   1.872  -0.765  -5.485
   57    HG   SER   8           HG       SER   8   1.061  -0.857  -3.256
   58    H    LYS   9           H        LYS   9   2.486  -1.610  -7.783
   59    HA   LYS   9           HA       LYS   9   4.179  -3.349  -9.080
   60    HB2  LYS   9          2HB       LYS   9   3.004  -1.495 -10.204
   61    HB3  LYS   9          1HB       LYS   9   4.104  -0.346  -9.458
   62    HG2  LYS   9          2HG       LYS   9   5.966  -1.282 -10.674
   63    HG3  LYS   9          1HG       LYS   9   4.926  -2.536 -11.344
   64    HD2  LYS   9          2HD       LYS   9   3.664  -0.871 -12.565
   65    HD3  LYS   9          1HD       LYS   9   4.615   0.421 -11.827
   66    HE2  LYS   9          2HE       LYS   9   5.410  -0.072 -14.100
   67    HE3  LYS   9          1HE       LYS   9   6.639  -0.437 -12.898
   68    HZ1  LYS   9          1HZ       LYS   9   4.904  -2.401 -14.282
   69    HZ2  LYS   9          2HZ       LYS   9   6.028  -2.773 -13.073
   70    HZ3  LYS   9          3HZ       LYS   9   6.553  -2.137 -14.532
   71    H    SER  10           H        SER  10   5.050  -1.367  -6.482
   72    HA   SER  10           HA       SER  10   6.867  -1.336  -5.192
   73    HB2  SER  10          2HB       SER  10   7.101  -3.717  -5.467
   74    HB3  SER  10          1HB       SER  10   7.806  -3.527  -7.063
   75    HG   SER  10           HG       SER  10   8.971  -3.052  -4.514
   76    H    TRP  11           H        TRP  11   7.391   0.656  -5.415
   77    HA   TRP  11           HA       TRP  11   9.389   1.445  -7.427
   78    HB2  TRP  11          2HB       TRP  11   7.588   3.261  -5.787
   79    HB3  TRP  11          1HB       TRP  11   8.512   3.685  -7.222
   80    HD1  TRP  11           HD       TRP  11   7.462   2.936  -9.605
   81    HE1  TRP  11          1HE       TRP  11   5.042   2.330 -10.289
   82    HE3  TRP  11          3HE       TRP  11   5.446   2.188  -4.968
   83    HZ2  TRP  11          2HZ       TRP  11   2.627   1.634  -9.034
   84    HZ3  TRP  11          3HZ       TRP  11   3.076   1.555  -4.800
   85    HH2  TRP  11           HH       TRP  11   1.700   1.287  -6.796
   86    H    ASN  12           H        ASN  12  11.337   1.166  -6.300
   87    HA   ASN  12           HA       ASN  12  11.083   1.498  -3.450
   88    HB2  ASN  12          2HB       ASN  12  13.311   0.104  -4.921
   89    HB3  ASN  12          1HB       ASN  12  13.161   0.229  -3.172
   90   HD21  ASN  12          1HD2      ASN  12  11.415  -0.942  -2.131
   91   HD22  ASN  12          2HD2      ASN  12  10.637  -2.246  -2.934
   92    H    GLY  13           H        GLY  13  10.997   3.746  -3.785
   93    HA2  GLY  13          2HA       GLY  13  13.592   5.032  -3.930
   94    HA3  GLY  13          1HA       GLY  13  12.058   5.808  -3.475
   95    H    LYS  14           H        LYS  14  11.159   5.389  -1.415
   96    HA   LYS  14           HA       LYS  14  12.642   3.740   0.398
   97    HB2  LYS  14          2HB       LYS  14  13.345   6.120   0.747
   98    HB3  LYS  14          1HB       LYS  14  11.644   6.508   0.992
   99    HG2  LYS  14          2HG       LYS  14  12.713   6.382   3.063
  100    HG3  LYS  14          1HG       LYS  14  11.601   5.022   2.939
  101    HD2  LYS  14          2HD       LYS  14  13.511   3.551   2.326
  102    HD3  LYS  14          1HD       LYS  14  14.599   4.917   2.530
  103    HE2  LYS  14          2HE       LYS  14  14.652   3.507   4.511
  104    HE3  LYS  14          1HE       LYS  14  13.955   5.076   4.895
  105    HZ1  LYS  14          1HZ       LYS  14  11.732   4.051   4.806
  106    HZ2  LYS  14          2HZ       LYS  14  12.717   3.329   5.928
  107    HZ3  LYS  14          3HZ       LYS  14  12.426   2.536   4.492
  108    H    CYS  15           H        CYS  15  11.175   2.575   1.507
  109    HA   CYS  15           HA       CYS  15   8.413   2.948   0.855
  110    HB2  CYS  15          2HB       CYS  15   9.326   0.708   0.888
  111    HB3  CYS  15          1HB       CYS  15   9.842   0.916   2.553
  112    H    PHE  16           H        PHE  16   7.488   4.575   1.870
  113    HA   PHE  16           HA       PHE  16   7.832   4.871   4.754
  114    HB2  PHE  16          2HB       PHE  16   6.627   6.675   2.656
  115    HB3  PHE  16          1HB       PHE  16   6.630   7.040   4.372
  116    HD1  PHE  16          1HD       PHE  16   9.036   7.104   5.459
  117    HD2  PHE  16          2HD       PHE  16   8.243   7.525   1.296
  118    HE1  PHE  16          1HE       PHE  16  11.171   8.285   5.172
  119    HE2  PHE  16          2HE       PHE  16  10.363   8.696   1.001
  120    HZ   PHE  16           HZ       PHE  16  11.846   9.083   2.943
  121    H    HIS  17           H        HIS  17   6.324   3.778   5.862
  122    HA   HIS  17           HA       HIS  17   4.070   2.626   4.628
  123    HB2  HIS  17          2HB       HIS  17   3.404   1.782   6.796
  124    HB3  HIS  17          1HB       HIS  17   5.149   1.658   6.660
  125    HD1  HIS  17          1HD       HIS  17   2.437   3.326   8.642
  126    HD2  HIS  17          2HD       HIS  17   6.591   3.313   8.454
  127    HE1  HIS  17          1HE       HIS  17   3.218   4.450  10.734
  128    H    LYS  18           H        LYS  18   4.456   5.515   6.537
  129    HA   LYS  18           HA       LYS  18   1.711   6.105   6.858
  130    HB2  LYS  18          2HB       LYS  18   3.336   7.089   8.323
  131    HB3  LYS  18          1HB       LYS  18   4.206   7.801   6.987
  132    HG2  LYS  18          2HG       LYS  18   3.006   9.496   8.185
  133    HG3  LYS  18          1HG       LYS  18   2.307   9.304   6.580
  134    HD2  LYS  18          2HD       LYS  18   0.488   7.999   7.501
  135    HD3  LYS  18          1HD       LYS  18   1.210   8.086   9.111
  136    HE2  LYS  18          2HE       LYS  18   0.999  10.528   9.061
  137    HE3  LYS  18          1HE       LYS  18   0.278  10.418   7.458
  138    HZ1  LYS  18          1HZ       LYS  18  -1.382  10.677   9.181
  139    HZ2  LYS  18          2HZ       LYS  18  -0.852   9.263   9.939
  140    HZ3  LYS  18          3HZ       LYS  18  -1.557   9.190   8.398
  141    H    LYS  19           H        LYS  19   4.146   7.345   4.602
  142    HA   LYS  19           HA       LYS  19   2.484   9.011   3.098
  143    HB2  LYS  19          2HB       LYS  19   4.956   9.020   2.962
  144    HB3  LYS  19          1HB       LYS  19   4.880   7.456   2.160
  145    HG2  LYS  19          2HG       LYS  19   3.620   8.470   0.328
  146    HG3  LYS  19          1HG       LYS  19   3.785  10.045   1.094
  147    HD2  LYS  19          2HD       LYS  19   6.260   9.752   0.990
  148    HD3  LYS  19          1HD       LYS  19   5.994   8.273   0.065
  149    HE2  LYS  19          2HE       LYS  19   6.409  10.035  -1.508
  150    HE3  LYS  19          1HE       LYS  19   4.701   9.627  -1.575
  151    HZ1  LYS  19          1HZ       LYS  19   5.066  11.996  -1.580
  152    HZ2  LYS  19          2HZ       LYS  19   5.842  11.920  -0.090
  153    HZ3  LYS  19          3HZ       LYS  19   4.196  11.541  -0.210
  154    H    CYS  20           H        CYS  20   3.523   5.669   2.451
  155    HA   CYS  20           HA       CYS  20   2.081   5.441   0.066
  156    HB2  CYS  20          2HB       CYS  20   4.035   4.074   0.527
  157    HB3  CYS  20          1HB       CYS  20   3.192   3.281   1.852
  158    H    ASN  21           H        ASN  21   1.216   4.734   3.406
  159    HA   ASN  21           HA       ASN  21  -1.054   3.176   2.956
  160    HB2  ASN  21          2HB       ASN  21  -0.099   3.461   5.184
  161    HB3  ASN  21          1HB       ASN  21  -0.520   5.166   5.168
  162   HD21  ASN  21          1HD2      ASN  21  -2.581   5.777   5.757
  163   HD22  ASN  21          2HD2      ASN  21  -3.751   4.629   6.279
  164    H    HIS  22           H        HIS  22  -0.760   6.676   3.280
  165    HA   HIS  22           HA       HIS  22  -3.537   7.023   2.696
  166    HB2  HIS  22          2HB       HIS  22  -1.321   9.068   2.970
  167    HB3  HIS  22          1HB       HIS  22  -3.017   9.477   2.720
  168    HD1  HIS  22          1HD       HIS  22  -4.659   9.049   4.757
  169    HD2  HIS  22          2HD       HIS  22  -0.655   8.228   5.518
  170    HE1  HIS  22          1HE       HIS  22  -4.493   8.732   7.230
  171    H    TRP  23           H        TRP  23  -0.591   7.026   0.890
  172    HA   TRP  23           HA       TRP  23  -1.433   8.190  -1.528
  173    HB2  TRP  23          2HB       TRP  23   0.932   7.582  -1.040
  174    HB3  TRP  23          1HB       TRP  23   0.478   5.887  -1.067
  175    HD1  TRP  23           HD       TRP  23   0.268   4.705  -3.443
  176    HE1  TRP  23          1HE       TRP  23   0.997   5.394  -5.809
  177    HE3  TRP  23          3HE       TRP  23   1.119   9.674  -2.591
  178    HZ2  TRP  23          2HZ       TRP  23   1.833   7.760  -7.139
  179    HZ3  TRP  23          3HZ       TRP  23   1.879  11.078  -4.457
  180    HH2  TRP  23           HH       TRP  23   2.229  10.137  -6.685
  181    H    CYS  24           H        CYS  24  -1.304   4.749  -0.599
  182    HA   CYS  24           HA       CYS  24  -2.822   3.918  -2.782
  183    HB2  CYS  24          2HB       CYS  24  -2.002   2.602  -0.235
  184    HB3  CYS  24          1HB       CYS  24  -3.167   1.784  -1.261
  185    H    MET  25           H        MET  25  -3.828   4.710   0.523
  186    HA   MET  25           HA       MET  25  -6.467   3.842   0.371
  187    HB2  MET  25          2HB       MET  25  -5.375   4.606   2.446
  188    HB3  MET  25          1HB       MET  25  -5.419   6.259   1.850
  189    HG2  MET  25          2HG       MET  25  -7.885   6.141   1.802
  190    HG3  MET  25          1HG       MET  25  -7.789   4.525   2.496
  191    HE1  MET  25          1HE       MET  25  -6.218   5.296   6.035
  192    HE2  MET  25          2HE       MET  25  -5.283   4.995   4.576
  193    HE3  MET  25          3HE       MET  25  -6.722   4.033   4.910
  194    H    GLU  26           H        GLU  26  -5.128   7.014  -0.498
  195    HA   GLU  26           HA       GLU  26  -7.708   8.002  -1.304
  196    HB2  GLU  26          2HB       GLU  26  -5.985   9.413  -0.204
  197    HB3  GLU  26          1HB       GLU  26  -4.962   9.215  -1.614
  198    HG2  GLU  26          2HG       GLU  26  -6.035  11.354  -1.702
  199    HG3  GLU  26          1HG       GLU  26  -6.686  10.326  -2.978
  200    H    LYS  27           H        LYS  27  -4.582   7.532  -2.985
  201    HA   LYS  27           HA       LYS  27  -5.679   8.154  -5.519
  202    HB2  LYS  27          2HB       LYS  27  -3.406   8.673  -5.062
  203    HB3  LYS  27          1HB       LYS  27  -3.033   6.984  -4.749
  204    HG2  LYS  27          2HG       LYS  27  -3.437   6.415  -7.042
  205    HG3  LYS  27          1HG       LYS  27  -3.973   8.059  -7.394
  206    HD2  LYS  27          2HD       LYS  27  -1.831   8.924  -6.933
  207    HD3  LYS  27          1HD       LYS  27  -1.297   7.349  -6.329
  208    HE2  LYS  27          2HE       LYS  27  -2.202   7.865  -9.162
  209    HE3  LYS  27          1HE       LYS  27  -0.510   7.894  -8.673
  210    HZ1  LYS  27          1HZ       LYS  27  -2.266   5.489  -8.322
  211    HZ2  LYS  27          2HZ       LYS  27  -0.594   5.602  -8.136
  212    HZ3  LYS  27          3HZ       LYS  27  -1.267   5.775  -9.649
  213    H    GLU  28           H        GLU  28  -4.861   5.027  -3.985
  214    HA   GLU  28           HA       GLU  28  -5.496   3.721  -6.529
  215    HB2  GLU  28          2HB       GLU  28  -4.405   2.558  -3.966
  216    HB3  GLU  28          1HB       GLU  28  -4.481   1.769  -5.533
  217    HG2  GLU  28          2HG       GLU  28  -2.840   4.224  -4.952
  218    HG3  GLU  28          1HG       GLU  28  -2.221   2.577  -4.891
  219    H    ASP  29           H        ASP  29  -6.980   4.740  -3.835
  220    HA   ASP  29           HA       ASP  29  -8.658   4.221  -2.477
  221    HB2  ASP  29          2HB       ASP  29  -9.956   4.509  -4.592
  222    HB3  ASP  29          1HB       ASP  29  -9.840   2.772  -4.866
  223    H    ALA  30           H        ALA  30  -7.377   3.050  -1.191
  224    HA   ALA  30           HA       ALA  30  -7.833   0.147  -1.246
  225    HB1  ALA  30          1HB       ALA  30  -5.317   1.593  -0.405
  226    HB2  ALA  30          2HB       ALA  30  -5.516   0.642  -1.877
  227    HB3  ALA  30          3HB       ALA  30  -5.586  -0.146  -0.302
  228    H    LYS  31           H        LYS  31  -7.309  -0.743   0.969
  229    HA   LYS  31           HA       LYS  31  -8.753   0.844   2.885
  230    HB2  LYS  31          2HB       LYS  31  -7.646  -1.962   3.021
  231    HB3  LYS  31          1HB       LYS  31  -8.476  -1.180   4.363
  232    HG2  LYS  31          2HG       LYS  31 -10.464  -0.905   2.953
  233    HG3  LYS  31          1HG       LYS  31  -9.613  -1.735   1.652
  234    HD2  LYS  31          2HD       LYS  31  -9.549  -3.763   2.860
  235    HD3  LYS  31          1HD       LYS  31 -10.099  -2.989   4.343
  236    HE2  LYS  31          2HE       LYS  31 -11.678  -3.259   1.795
  237    HE3  LYS  31          1HE       LYS  31 -11.913  -4.227   3.256
  238    HZ1  LYS  31          1HZ       LYS  31 -12.485  -2.157   4.423
  239    HZ2  LYS  31          2HZ       LYS  31 -13.532  -2.487   3.168
  240    HZ3  LYS  31          3HZ       LYS  31 -12.367  -1.289   2.981
  241    H    TYR  32           H        TYR  32  -5.613  -0.846   2.927
  242    HA   TYR  32           HA       TYR  32  -4.469   1.472   4.158
  243    HB2  TYR  32          2HB       TYR  32  -3.572   0.199   6.104
  244    HB3  TYR  32          1HB       TYR  32  -5.309   0.448   6.143
  245    HD1  TYR  32          1HD       TYR  32  -6.826  -1.441   5.823
  246    HD2  TYR  32          2HD       TYR  32  -2.624  -2.029   5.945
  247    HE1  TYR  32          1HE       TYR  32  -7.188  -3.819   6.190
  248    HE2  TYR  32          2HE       TYR  32  -2.968  -4.422   6.307
  249    HH   TYR  32           HH       TYR  32  -4.776  -5.856   7.251
  250    H    GLY  33           H        GLY  33  -2.263   1.475   4.197
  251    HA2  GLY  33          2HA       GLY  33  -1.000  -0.586   2.526
  252    HA3  GLY  33          1HA       GLY  33  -0.516   1.112   2.514
  253    H    SER  34           H        SER  34   0.790  -1.523   3.310
  254    HA   SER  34           HA       SER  34   1.879  -0.508   5.827
  255    HB2  SER  34          2HB       SER  34   1.244  -3.415   5.218
  256    HB3  SER  34          1HB       SER  34   1.958  -2.786   6.706
  257    HG   SER  34           HG       SER  34  -0.226  -1.406   6.289
  258    H    CYS  35           H        CYS  35   4.146  -1.029   6.097
  259    HA   CYS  35           HA       CYS  35   5.401  -1.547   3.531
  260    HB2  CYS  35          2HB       CYS  35   5.979   0.509   4.899
  261    HB3  CYS  35          1HB       CYS  35   6.685  -0.584   6.086
  262    H    SER  36           H        SER  36   6.526  -3.370   3.197
  263    HA   SER  36           HA       SER  36   6.965  -5.101   5.496
  264    HB2  SER  36          2HB       SER  36   4.987  -5.821   4.166
  265    HB3  SER  36          1HB       SER  36   6.013  -5.931   2.741
  266    HG   SER  36           HG       SER  36   6.221  -7.895   3.399
  267    H    HIS  37           H        HIS  37   9.091  -4.863   5.699
  268    HA   HIS  37           HA       HIS  37  11.304  -5.204   5.410
  269    HB2  HIS  37          2HB       HIS  37  10.595  -7.429   4.594
  270    HB3  HIS  37          1HB       HIS  37  10.458  -6.795   2.965
  271    HD1  HIS  37          1HD       HIS  37  12.537  -7.016   1.525
  272    HD2  HIS  37          2HD       HIS  37  13.339  -7.496   5.576
  273    HE1  HIS  37          1HE       HIS  37  14.929  -7.766   1.668
  274    H    GLY  38           H        GLY  38   9.681  -3.149   3.612
  275    HA2  GLY  38          2HA       GLY  38  11.018  -1.200   2.860
  276    HA3  GLY  38          1HA       GLY  38  12.042  -2.354   2.025
  277    H    ASP  39           H        ASP  39   8.997  -3.527   1.643
  278    HA   ASP  39           HA       ASP  39   8.441  -1.788  -0.661
  279    HB2  ASP  39          2HB       ASP  39   7.878  -4.729  -0.328
  280    HB3  ASP  39          1HB       ASP  39   7.076  -3.763  -1.543
  281    H    CYS  40           H        CYS  40   6.304  -1.208  -0.998
  282    HA   CYS  40           HA       CYS  40   4.753  -1.377   1.443
  283    HB2  CYS  40          2HB       CYS  40   5.159   0.859   0.576
  284    HB3  CYS  40          1HB       CYS  40   4.426   0.410  -0.961
  285    H    TYR  41           H        TYR  41   3.029  -2.508   1.595
  286    HA   TYR  41           HA       TYR  41   1.877  -3.715  -0.801
  287    HB2  TYR  41          2HB       TYR  41   2.178  -4.711   2.024
  288    HB3  TYR  41          1HB       TYR  41   0.983  -5.397   0.934
  289    HD1  TYR  41          1HD       TYR  41   4.722  -4.618   0.942
  290    HD2  TYR  41          2HD       TYR  41   1.565  -7.263  -0.228
  291    HE1  TYR  41          1HE       TYR  41   6.347  -6.184   0.062
  292    HE2  TYR  41          2HE       TYR  41   3.215  -8.816  -1.118
  293    HH   TYR  41           HH       TYR  41   6.530  -8.520  -0.466
  294    H    CYS  42           H        CYS  42  -0.094  -3.109  -1.256
  295    HA   CYS  42           HA       CYS  42  -1.521  -1.566   0.760
  296    HB2  CYS  42          2HB       CYS  42  -1.754  -1.449  -2.258
  297    HB3  CYS  42          1HB       CYS  42  -2.628  -0.423  -1.115
  298    H    TYR  43           H        TYR  43  -3.245  -2.374   1.580
  299    HA   TYR  43           HA       TYR  43  -4.200  -4.906   0.554
  300    HB2  TYR  43          2HB       TYR  43  -4.551  -3.530   3.218
  301    HB3  TYR  43          1HB       TYR  43  -5.362  -5.031   2.791
  302    HD1  TYR  43          1HD       TYR  43  -1.891  -3.577   2.927
  303    HD2  TYR  43          2HD       TYR  43  -4.334  -7.038   3.362
  304    HE1  TYR  43          1HE       TYR  43   0.062  -4.849   3.656
  305    HE2  TYR  43          2HE       TYR  43  -2.373  -8.325   4.097
  306    HH   TYR  43           HH       TYR  43   0.563  -6.924   4.983
  307    H    TYR  44           H        TYR  44  -5.999  -5.194  -0.364
  308    HA   TYR  44           HA       TYR  44  -8.086  -3.107  -0.334
  309    HB2  TYR  44          2HB       TYR  44  -7.398  -5.053  -2.561
  310    HB3  TYR  44          1HB       TYR  44  -8.662  -3.841  -2.607
  311    HD1  TYR  44          1HD       TYR  44  -5.081  -4.474  -2.887
  312    HD2  TYR  44          2HD       TYR  44  -8.095  -1.488  -2.982
  313    HE1  TYR  44          1HE       TYR  44  -3.508  -2.929  -3.943
  314    HE2  TYR  44          2HE       TYR  44  -6.547   0.066  -4.025
  315    HH   TYR  44           HH       TYR  44  -4.076   0.373  -4.218
  316    H    HIS  45           H        HIS  45 -10.214  -4.299  -1.045
  317    HA   HIS  45           HA       HIS  45 -10.322  -6.850   0.388
  318    HB2  HIS  45          2HB       HIS  45 -12.757  -6.552   0.503
  319    HB3  HIS  45          1HB       HIS  45 -11.945  -5.159   1.196
  320    HD1  HIS  45          1HD       HIS  45 -14.223  -6.173  -1.612
  321    HD2  HIS  45          2HD       HIS  45 -12.237  -2.773  -0.291
  322    HE1  HIS  45          1HE       HIS  45 -15.170  -4.255  -2.923
  323    H    CYS  46           H        CYS  46 -10.813  -8.662  -0.667
  324    HA   CYS  46           HA       CYS  46 -11.365  -8.476  -3.502
  325    HB2  CYS  46          2HB       CYS  46 -10.830 -10.881  -1.737
  326    HB3  CYS  46          1HB       CYS  46 -11.136 -10.966  -3.467
  Start of MODEL    8
    1    H1   ALA   1           H        ALA   1 -14.579 -12.529   4.439
    2    HA   ALA   1           HA       ALA   1 -13.132 -10.640   4.335
    3    HB1  ALA   1          1HB       ALA   1 -13.585 -11.234   6.673
    4    HB2  ALA   1          2HB       ALA   1 -11.967 -10.557   6.483
    5    HB3  ALA   1          3HB       ALA   1 -12.177 -12.294   6.671
    6    H    LYS   2           H        LYS   2 -11.768 -10.625   2.576
    7    HA   LYS   2           HA       LYS   2  -9.174 -11.882   3.068
    8    HB2  LYS   2          2HB       LYS   2 -10.438 -13.191   1.386
    9    HB3  LYS   2          1HB       LYS   2 -10.549 -11.751   0.381
   10    HG2  LYS   2          2HG       LYS   2  -8.795 -13.139  -0.469
   11    HG3  LYS   2          1HG       LYS   2  -8.056 -11.721   0.280
   12    HD2  LYS   2          2HD       LYS   2  -7.691 -13.067   2.341
   13    HD3  LYS   2          1HD       LYS   2  -8.319 -14.472   1.488
   14    HE2  LYS   2          2HE       LYS   2  -5.922 -14.531   1.460
   15    HE3  LYS   2          1HE       LYS   2  -6.508 -14.220  -0.172
   16    HZ1  LYS   2          1HZ       LYS   2  -5.950 -11.891   0.097
   17    HZ2  LYS   2          2HZ       LYS   2  -4.620 -12.845   0.427
   18    HZ3  LYS   2          3HZ       LYS   2  -5.467 -12.141   1.692
   19    H    HIS   3           H        HIS   3  -7.959 -10.174   3.499
   20    HA   HIS   3           HA       HIS   3  -8.234  -7.795   1.951
   21    HB2  HIS   3          2HB       HIS   3  -6.342  -8.585   4.151
   22    HB3  HIS   3          1HB       HIS   3  -6.053  -7.143   3.181
   23    HD1  HIS   3          1HD       HIS   3  -7.562  -8.012   6.288
   24    HD2  HIS   3          2HD       HIS   3  -8.591  -5.536   3.110
   25    HE1  HIS   3          1HE       HIS   3  -9.189  -6.335   7.212
   26    H    CYS   4           H        CYS   4  -7.014  -7.101   0.392
   27    HA   CYS   4           HA       CYS   4  -5.155  -9.060  -0.704
   28    HB2  CYS   4          2HB       CYS   4  -7.234  -7.394  -2.123
   29    HB3  CYS   4          1HB       CYS   4  -5.973  -8.277  -2.983
   30    H    GLY   5           H        GLY   5  -3.253  -8.309  -0.370
   31    HA2  GLY   5          2HA       GLY   5  -2.690  -5.489  -0.250
   32    HA3  GLY   5          1HA       GLY   5  -1.555  -6.807   0.009
   33    H    LYS   6           H        LYS   6  -1.985  -4.312  -1.801
   34    HA   LYS   6           HA       LYS   6  -1.642  -5.279  -4.417
   35    HB2  LYS   6          2HB       LYS   6  -2.435  -3.069  -3.872
   36    HB3  LYS   6          1HB       LYS   6  -0.843  -2.631  -3.245
   37    HG2  LYS   6          2HG       LYS   6   0.103  -2.835  -5.471
   38    HG3  LYS   6          1HG       LYS   6  -1.440  -3.405  -6.104
   39    HD2  LYS   6          2HD       LYS   6  -1.271  -1.114  -6.699
   40    HD3  LYS   6          1HD       LYS   6  -2.436  -1.211  -5.392
   41    HE2  LYS   6          2HE       LYS   6  -1.047   0.692  -4.978
   42    HE3  LYS   6          1HE       LYS   6  -0.598  -0.539  -3.807
   43    HZ1  LYS   6          1HZ       LYS   6   0.882   0.078  -6.312
   44    HZ2  LYS   6          2HZ       LYS   6   1.367  -1.052  -5.176
   45    HZ3  LYS   6          3HZ       LYS   6   1.335   0.576  -4.791
   46    H    HIS   7           H        HIS   7   0.007  -6.116  -5.242
   47    HA   HIS   7           HA       HIS   7   2.515  -6.278  -3.824
   48    HB2  HIS   7          2HB       HIS   7   1.572  -8.229  -5.061
   49    HB3  HIS   7          1HB       HIS   7   1.761  -7.335  -6.565
   50    HD1  HIS   7          1HD       HIS   7   3.845  -7.939  -7.801
   51    HD2  HIS   7          2HD       HIS   7   4.217  -8.528  -3.702
   52    HE1  HIS   7          1HE       HIS   7   6.116  -8.963  -7.440
   53    H    SER   8           H        SER   8   4.319  -5.143  -4.298
   54    HA   SER   8           HA       SER   8   3.958  -2.732  -5.700
   55    HB2  SER   8          2HB       SER   8   6.466  -3.922  -4.520
   56    HB3  SER   8          1HB       SER   8   6.210  -2.231  -4.959
   57    HG   SER   8           HG       SER   8   4.224  -2.729  -3.435
   58    H    LYS   9           H        LYS   9   3.725  -3.003  -7.881
   59    HA   LYS   9           HA       LYS   9   5.706  -4.474  -9.349
   60    HB2  LYS   9          2HB       LYS   9   4.668  -3.575 -11.416
   61    HB3  LYS   9          1HB       LYS   9   3.490  -4.327 -10.363
   62    HG2  LYS   9          2HG       LYS   9   2.681  -2.141  -9.684
   63    HG3  LYS   9          1HG       LYS   9   3.930  -1.360 -10.661
   64    HD2  LYS   9          2HD       LYS   9   2.989  -2.321 -12.685
   65    HD3  LYS   9          1HD       LYS   9   1.793  -3.203 -11.744
   66    HE2  LYS   9          2HE       LYS   9   2.007  -0.191 -11.896
   67    HE3  LYS   9          1HE       LYS   9   0.885  -1.166 -12.835
   68    HZ1  LYS   9          1HZ       LYS   9  -0.212  -0.256 -10.927
   69    HZ2  LYS   9          2HZ       LYS   9   0.930  -0.892  -9.877
   70    HZ3  LYS   9          3HZ       LYS   9  -0.103  -1.926 -10.726
   71    H    SER  10           H        SER  10   5.248  -1.314  -8.161
   72    HA   SER  10           HA       SER  10   7.510  -0.239  -9.518
   73    HB2  SER  10          2HB       SER  10   7.047   1.636  -7.832
   74    HB3  SER  10          1HB       SER  10   5.742   1.291  -8.970
   75    HG   SER  10           HG       SER  10   6.001   0.399  -6.310
   76    H    TRP  11           H        TRP  11   9.126  -1.641  -8.980
   77    HA   TRP  11           HA       TRP  11   9.643  -2.640  -6.363
   78    HB2  TRP  11          2HB       TRP  11  10.356  -3.879  -8.349
   79    HB3  TRP  11          1HB       TRP  11  11.389  -2.543  -8.834
   80    HD1  TRP  11           HD       TRP  11  13.772  -2.361  -7.688
   81    HE1  TRP  11          1HE       TRP  11  15.139  -3.945  -6.205
   82    HE3  TRP  11          3HE       TRP  11  10.083  -5.684  -6.442
   83    HZ2  TRP  11          2HZ       TRP  11  14.717  -6.301  -4.699
   84    HZ3  TRP  11          3HZ       TRP  11  10.655  -7.575  -4.974
   85    HH2  TRP  11           HH       TRP  11  12.922  -7.875  -4.125
   86    H    ASN  12           H        ASN  12  11.008  -0.086  -8.346
   87    HA   ASN  12           HA       ASN  12  12.805   0.693  -6.233
   88    HB2  ASN  12          2HB       ASN  12  13.516   0.924  -8.592
   89    HB3  ASN  12          1HB       ASN  12  12.209   2.061  -8.878
   90   HD21  ASN  12          1HD2      ASN  12  15.143   2.310  -9.102
   91   HD22  ASN  12          2HD2      ASN  12  15.572   3.676  -8.130
   92    H    GLY  13           H        GLY  13  11.857   1.483  -4.522
   93    HA2  GLY  13          2HA       GLY  13  10.749   4.048  -4.559
   94    HA3  GLY  13          1HA       GLY  13   9.465   2.852  -4.391
   95    H    LYS  14           H        LYS  14  11.159   4.868  -2.630
   96    HA   LYS  14           HA       LYS  14  12.001   3.148  -0.502
   97    HB2  LYS  14          2HB       LYS  14  13.042   5.373  -0.941
   98    HB3  LYS  14          1HB       LYS  14  11.490   6.102  -0.494
   99    HG2  LYS  14          2HG       LYS  14  11.693   5.326   1.750
  100    HG3  LYS  14          1HG       LYS  14  13.154   4.420   1.360
  101    HD2  LYS  14          2HD       LYS  14  14.299   6.518   0.825
  102    HD3  LYS  14          1HD       LYS  14  12.835   7.416   1.219
  103    HE2  LYS  14          2HE       LYS  14  12.939   6.627   3.518
  104    HE3  LYS  14          1HE       LYS  14  14.364   5.662   3.140
  105    HZ1  LYS  14          1HZ       LYS  14  15.579   7.682   2.676
  106    HZ2  LYS  14          2HZ       LYS  14  14.931   7.756   4.226
  107    HZ3  LYS  14          3HZ       LYS  14  14.219   8.629   2.979
  108    H    CYS  15           H        CYS  15  10.789   2.448   1.054
  109    HA   CYS  15           HA       CYS  15   7.974   3.059   0.925
  110    HB2  CYS  15          2HB       CYS  15   8.713   0.713   1.083
  111    HB3  CYS  15          1HB       CYS  15   9.385   1.049   2.676
  112    H    PHE  16           H        PHE  16   7.044   4.485   2.094
  113    HA   PHE  16           HA       PHE  16   8.127   5.229   4.718
  114    HB2  PHE  16          2HB       PHE  16   6.485   6.767   2.691
  115    HB3  PHE  16          1HB       PHE  16   6.795   7.336   4.323
  116    HD1  PHE  16          1HD       PHE  16   8.321   6.670   0.991
  117    HD2  PHE  16          2HD       PHE  16   8.849   8.389   4.862
  118    HE1  PHE  16          1HE       PHE  16  10.276   7.876   0.188
  119    HE2  PHE  16          2HE       PHE  16  10.825   9.581   4.054
  120    HZ   PHE  16           HZ       PHE  16  11.543   9.333   1.707
  121    H    HIS  17           H        HIS  17   6.722   4.728   6.384
  122    HA   HIS  17           HA       HIS  17   4.564   2.982   5.864
  123    HB2  HIS  17          2HB       HIS  17   5.431   4.342   8.416
  124    HB3  HIS  17          1HB       HIS  17   4.026   3.296   8.351
  125    HD1  HIS  17          1HD       HIS  17   4.552   1.026   9.135
  126    HD2  HIS  17          2HD       HIS  17   7.821   2.797   7.296
  127    HE1  HIS  17          1HE       HIS  17   6.428  -0.653   9.308
  128    H    LYS  18           H        LYS  18   4.387   6.233   7.300
  129    HA   LYS  18           HA       LYS  18   1.583   6.334   7.321
  130    HB2  LYS  18          2HB       LYS  18   2.962   7.771   8.747
  131    HB3  LYS  18          1HB       LYS  18   3.601   8.589   7.339
  132    HG2  LYS  18          2HG       LYS  18   1.418   9.497   6.824
  133    HG3  LYS  18          1HG       LYS  18   0.712   8.632   8.188
  134    HD2  LYS  18          2HD       LYS  18   2.098   9.904   9.732
  135    HD3  LYS  18          1HD       LYS  18   2.881  10.722   8.380
  136    HE2  LYS  18          2HE       LYS  18   1.187  12.174   9.351
  137    HE3  LYS  18          1HE       LYS  18   0.715  11.685   7.732
  138    HZ1  LYS  18          1HZ       LYS  18  -1.117  11.607   9.316
  139    HZ2  LYS  18          2HZ       LYS  18  -0.321  10.451  10.234
  140    HZ3  LYS  18          3HZ       LYS  18  -0.827  10.091   8.670
  141    H    LYS  19           H        LYS  19   3.953   7.527   5.037
  142    HA   LYS  19           HA       LYS  19   2.148   8.808   3.305
  143    HB2  LYS  19          2HB       LYS  19   4.744   8.930   3.408
  144    HB3  LYS  19          1HB       LYS  19   4.695   7.516   2.374
  145    HG2  LYS  19          2HG       LYS  19   3.405  10.145   1.664
  146    HG3  LYS  19          1HG       LYS  19   5.048   9.717   1.212
  147    HD2  LYS  19          2HD       LYS  19   2.565   8.194   0.419
  148    HD3  LYS  19          1HD       LYS  19   3.378   9.381  -0.601
  149    HE2  LYS  19          2HE       LYS  19   5.413   7.957  -0.555
  150    HE3  LYS  19          1HE       LYS  19   4.537   6.786   0.425
  151    HZ1  LYS  19          1HZ       LYS  19   4.574   6.186  -1.921
  152    HZ2  LYS  19          2HZ       LYS  19   3.773   7.597  -2.328
  153    HZ3  LYS  19          3HZ       LYS  19   3.010   6.428  -1.383
  154    H    CYS  20           H        CYS  20   3.414   5.461   3.347
  155    HA   CYS  20           HA       CYS  20   2.251   4.505   1.001
  156    HB2  CYS  20          2HB       CYS  20   3.884   3.206   2.346
  157    HB3  CYS  20          1HB       CYS  20   2.697   3.036   3.627
  158    H    ASN  21           H        ASN  21   0.972   4.638   4.293
  159    HA   ASN  21           HA       ASN  21  -1.536   3.506   3.798
  160    HB2  ASN  21          2HB       ASN  21  -0.693   3.825   6.063
  161    HB3  ASN  21          1HB       ASN  21  -0.755   5.573   5.864
  162   HD21  ASN  21          1HD2      ASN  21  -2.741   6.639   6.063
  163   HD22  ASN  21          2HD2      ASN  21  -4.158   5.834   6.589
  164    H    HIS  22           H        HIS  22  -0.707   6.964   4.006
  165    HA   HIS  22           HA       HIS  22  -3.337   7.792   3.359
  166    HB2  HIS  22          2HB       HIS  22  -0.761   9.348   3.410
  167    HB3  HIS  22          1HB       HIS  22  -2.312  10.087   3.033
  168    HD1  HIS  22          1HD       HIS  22  -3.842  10.669   5.039
  169    HD2  HIS  22          2HD       HIS  22  -0.513   8.390   6.050
  170    HE1  HIS  22          1HE       HIS  22  -3.775  10.617   7.539
  171    H    TRP  23           H        TRP  23  -0.518   7.279   1.360
  172    HA   TRP  23           HA       TRP  23  -1.596   8.530  -0.944
  173    HB2  TRP  23          2HB       TRP  23   0.807   8.164  -0.680
  174    HB3  TRP  23          1HB       TRP  23   0.560   6.423  -0.713
  175    HD1  TRP  23           HD       TRP  23   0.599   5.293  -3.057
  176    HE1  TRP  23          1HE       TRP  23   0.836   6.162  -5.471
  177    HE3  TRP  23          3HE       TRP  23   0.047  10.301  -2.186
  178    HZ2  TRP  23          2HZ       TRP  23   0.778   8.630  -6.822
  179    HZ3  TRP  23          3HZ       TRP  23   0.145  11.839  -4.098
  180    HH2  TRP  23           HH       TRP  23   0.503  11.011  -6.363
  181    H    CYS  24           H        CYS  24  -1.265   5.085  -0.033
  182    HA   CYS  24           HA       CYS  24  -2.647   4.296  -2.313
  183    HB2  CYS  24          2HB       CYS  24  -1.804   2.846   0.140
  184    HB3  CYS  24          1HB       CYS  24  -2.913   2.084  -1.001
  185    H    MET  25           H        MET  25  -3.840   4.855   0.969
  186    HA   MET  25           HA       MET  25  -6.374   3.733   0.582
  187    HB2  MET  25          2HB       MET  25  -5.450   4.358   2.795
  188    HB3  MET  25          1HB       MET  25  -5.633   6.054   2.378
  189    HG2  MET  25          2HG       MET  25  -8.075   5.720   2.208
  190    HG3  MET  25          1HG       MET  25  -7.851   4.045   2.693
  191    HE1  MET  25          1HE       MET  25  -9.525   5.680   5.839
  192    HE2  MET  25          2HE       MET  25  -9.637   4.406   4.623
  193    HE3  MET  25          3HE       MET  25  -9.824   6.094   4.150
  194    H    GLU  26           H        GLU  26  -5.111   6.851  -0.314
  195    HA   GLU  26           HA       GLU  26  -7.763   7.775  -1.092
  196    HB2  GLU  26          2HB       GLU  26  -6.239   9.319   0.099
  197    HB3  GLU  26          1HB       GLU  26  -5.103   9.194  -1.232
  198    HG2  GLU  26          2HG       GLU  26  -6.770  10.169  -2.738
  199    HG3  GLU  26          1HG       GLU  26  -7.887  10.327  -1.381
  200    H    LYS  27           H        LYS  27  -4.549   7.603  -2.613
  201    HA   LYS  27           HA       LYS  27  -5.608   8.209  -5.179
  202    HB2  LYS  27          2HB       LYS  27  -3.399   8.977  -4.277
  203    HB3  LYS  27          1HB       LYS  27  -2.826   7.332  -4.373
  204    HG2  LYS  27          2HG       LYS  27  -3.727   8.901  -6.788
  205    HG3  LYS  27          1HG       LYS  27  -2.074   8.919  -6.189
  206    HD2  LYS  27          2HD       LYS  27  -1.986   6.469  -6.503
  207    HD3  LYS  27          1HD       LYS  27  -3.615   6.524  -7.173
  208    HE2  LYS  27          2HE       LYS  27  -1.178   7.901  -8.283
  209    HE3  LYS  27          1HE       LYS  27  -1.937   6.455  -8.933
  210    HZ1  LYS  27          1HZ       LYS  27  -3.963   7.818  -9.321
  211    HZ2  LYS  27          2HZ       LYS  27  -2.630   8.323 -10.194
  212    HZ3  LYS  27          3HZ       LYS  27  -3.103   9.187  -8.841
  213    H    GLU  28           H        GLU  28  -4.561   5.200  -3.579
  214    HA   GLU  28           HA       GLU  28  -4.819   3.842  -6.143
  215    HB2  GLU  28          2HB       GLU  28  -3.816   2.890  -3.459
  216    HB3  GLU  28          1HB       GLU  28  -3.957   1.860  -4.873
  217    HG2  GLU  28          2HG       GLU  28  -2.270   4.346  -4.777
  218    HG3  GLU  28          1HG       GLU  28  -1.660   2.728  -4.437
  219    H    ASP  29           H        ASP  29  -6.753   4.763  -3.715
  220    HA   ASP  29           HA       ASP  29  -8.821   4.274  -2.958
  221    HB2  ASP  29          2HB       ASP  29  -9.342   4.032  -5.418
  222    HB3  ASP  29          1HB       ASP  29  -9.017   2.311  -5.276
  223    H    ALA  30           H        ALA  30  -6.443   2.691  -2.261
  224    HA   ALA  30           HA       ALA  30  -7.358   0.084  -1.539
  225    HB1  ALA  30          1HB       ALA  30  -4.971   0.540  -1.898
  226    HB2  ALA  30          2HB       ALA  30  -5.270  -0.076  -0.272
  227    HB3  ALA  30          3HB       ALA  30  -4.984   1.647  -0.524
  228    H    LYS  31           H        LYS  31  -7.435  -0.582   0.702
  229    HA   LYS  31           HA       LYS  31  -9.194   1.165   2.174
  230    HB2  LYS  31          2HB       LYS  31  -8.118  -1.580   2.759
  231    HB3  LYS  31          1HB       LYS  31  -9.282  -0.724   3.764
  232    HG2  LYS  31          2HG       LYS  31 -10.905  -0.739   2.019
  233    HG3  LYS  31          1HG       LYS  31  -9.732  -1.386   0.874
  234    HD2  LYS  31          2HD       LYS  31 -11.288  -3.078   1.722
  235    HD3  LYS  31          1HD       LYS  31  -9.606  -3.448   2.092
  236    HE2  LYS  31          2HE       LYS  31 -11.063  -3.934   3.985
  237    HE3  LYS  31          1HE       LYS  31  -9.917  -2.657   4.355
  238    HZ1  LYS  31          1HZ       LYS  31 -12.127  -2.180   5.183
  239    HZ2  LYS  31          2HZ       LYS  31 -12.780  -2.278   3.641
  240    HZ3  LYS  31          3HZ       LYS  31 -11.705  -1.028   4.027
  241    H    TYR  32           H        TYR  32  -6.038  -0.331   2.680
  242    HA   TYR  32           HA       TYR  32  -5.182   1.937   4.171
  243    HB2  TYR  32          2HB       TYR  32  -4.461   0.635   6.167
  244    HB3  TYR  32          1HB       TYR  32  -6.210   0.743   6.027
  245    HD1  TYR  32          1HD       TYR  32  -3.296  -1.435   6.139
  246    HD2  TYR  32          2HD       TYR  32  -7.499  -1.337   5.418
  247    HE1  TYR  32          1HE       TYR  32  -3.405  -3.857   6.457
  248    HE2  TYR  32          2HE       TYR  32  -7.612  -3.754   5.732
  249    HH   TYR  32           HH       TYR  32  -6.189  -5.695   5.657
  250    H    GLY  33           H        GLY  33  -2.899   1.916   4.510
  251    HA2  GLY  33          2HA       GLY  33  -1.544  -0.070   2.831
  252    HA3  GLY  33          1HA       GLY  33  -1.113   1.647   2.775
  253    H    SER  34           H        SER  34   0.354  -0.815   3.535
  254    HA   SER  34           HA       SER  34   1.346   0.197   6.048
  255    HB2  SER  34          2HB       SER  34   1.386  -2.182   6.934
  256    HB3  SER  34          1HB       SER  34  -0.210  -1.433   6.829
  257    HG   SER  34           HG       SER  34  -0.018  -2.457   4.569
  258    H    CYS  35           H        CYS  35   3.509  -0.214   6.305
  259    HA   CYS  35           HA       CYS  35   4.825  -1.092   3.880
  260    HB2  CYS  35          2HB       CYS  35   5.450   1.020   5.156
  261    HB3  CYS  35          1HB       CYS  35   6.100  -0.035   6.402
  262    H    SER  36           H        SER  36   5.152  -3.130   3.693
  263    HA   SER  36           HA       SER  36   5.584  -4.788   6.073
  264    HB2  SER  36          2HB       SER  36   3.489  -5.264   4.834
  265    HB3  SER  36          1HB       SER  36   4.419  -5.501   3.360
  266    HG   SER  36           HG       SER  36   3.942  -7.460   4.290
  267    H    HIS  37           H        HIS  37   7.662  -5.358   6.249
  268    HA   HIS  37           HA       HIS  37   9.745  -6.132   5.821
  269    HB2  HIS  37          2HB       HIS  37   8.874  -6.656   2.967
  270    HB3  HIS  37          1HB       HIS  37  10.253  -7.360   3.791
  271    HD1  HIS  37          1HD       HIS  37   6.970  -8.185   2.748
  272    HD2  HIS  37          2HD       HIS  37   9.233  -8.987   6.127
  273    HE1  HIS  37          1HE       HIS  37   5.922 -10.213   3.803
  274    H    GLY  38           H        GLY  38   8.646  -3.371   4.812
  275    HA2  GLY  38          2HA       GLY  38   9.962  -1.475   4.256
  276    HA3  GLY  38          1HA       GLY  38  11.165  -2.555   3.555
  277    H    ASP  39           H        ASP  39   8.014  -3.394   2.681
  278    HA   ASP  39           HA       ASP  39   8.191  -1.920   0.140
  279    HB2  ASP  39          2HB       ASP  39   6.973  -4.642   0.704
  280    HB3  ASP  39          1HB       ASP  39   6.904  -3.817  -0.846
  281    H    CYS  40           H        CYS  40   6.169  -1.151  -0.658
  282    HA   CYS  40           HA       CYS  40   4.382  -0.448   1.516
  283    HB2  CYS  40          2HB       CYS  40   5.190   1.368   0.116
  284    HB3  CYS  40          1HB       CYS  40   4.597   0.566  -1.327
  285    H    TYR  41           H        TYR  41   2.929  -1.982   1.937
  286    HA   TYR  41           HA       TYR  41   1.568  -3.208  -0.309
  287    HB2  TYR  41          2HB       TYR  41   2.117  -4.173   2.454
  288    HB3  TYR  41          1HB       TYR  41   0.668  -4.749   1.635
  289    HD1  TYR  41          1HD       TYR  41   0.785  -6.376  -0.050
  290    HD2  TYR  41          2HD       TYR  41   4.368  -4.572   1.365
  291    HE1  TYR  41          1HE       TYR  41   2.091  -8.021  -1.302
  292    HE2  TYR  41          2HE       TYR  41   5.684  -6.221   0.113
  293    HH   TYR  41           HH       TYR  41   5.327  -8.565  -0.784
  294    H    CYS  42           H        CYS  42  -0.119  -2.398  -0.879
  295    HA   CYS  42           HA       CYS  42  -1.792  -0.812   0.917
  296    HB2  CYS  42          2HB       CYS  42  -1.845  -1.086  -2.077
  297    HB3  CYS  42          1HB       CYS  42  -2.596   0.197  -1.147
  298    H    TYR  43           H        TYR  43  -3.518  -1.861   1.716
  299    HA   TYR  43           HA       TYR  43  -4.274  -4.355   0.437
  300    HB2  TYR  43          2HB       TYR  43  -4.745  -3.333   3.217
  301    HB3  TYR  43          1HB       TYR  43  -5.464  -4.817   2.589
  302    HD1  TYR  43          1HD       TYR  43  -4.169  -6.823   2.409
  303    HD2  TYR  43          2HD       TYR  43  -2.303  -3.147   3.420
  304    HE1  TYR  43          1HE       TYR  43  -2.120  -8.029   2.985
  305    HE2  TYR  43          2HE       TYR  43  -0.276  -4.309   3.984
  306    HH   TYR  43           HH       TYR  43   0.368  -6.592   4.710
  307    H    TYR  44           H        TYR  44  -5.954  -4.645  -0.546
  308    HA   TYR  44           HA       TYR  44  -8.269  -2.857  -0.291
  309    HB2  TYR  44          2HB       TYR  44  -7.521  -4.899  -2.413
  310    HB3  TYR  44          1HB       TYR  44  -8.953  -3.889  -2.450
  311    HD1  TYR  44          1HD       TYR  44  -5.257  -3.845  -2.645
  312    HD2  TYR  44          2HD       TYR  44  -8.851  -1.676  -3.342
  313    HE1  TYR  44          1HE       TYR  44  -4.018  -2.161  -3.920
  314    HE2  TYR  44          2HE       TYR  44  -7.620  -0.035  -4.601
  315    HH   TYR  44           HH       TYR  44  -5.476   0.741  -4.999
  316    H    HIS  45           H        HIS  45 -10.291  -4.514  -0.847
  317    HA   HIS  45           HA       HIS  45  -9.796  -6.956   0.702
  318    HB2  HIS  45          2HB       HIS  45 -11.106  -5.065   1.893
  319    HB3  HIS  45          1HB       HIS  45 -12.417  -5.466   0.789
  320    HD1  HIS  45          1HD       HIS  45 -11.094  -6.260   4.053
  321    HD2  HIS  45          2HD       HIS  45 -13.176  -8.319   1.106
  322    HE1  HIS  45          1HE       HIS  45 -12.136  -8.213   5.203
  323    H    CYS  46           H        CYS  46 -10.294  -8.687  -0.435
  324    HA   CYS  46           HA       CYS  46 -11.784  -8.344  -2.859
  325    HB2  CYS  46          2HB       CYS  46 -10.211 -10.687  -1.807
  326    HB3  CYS  46          1HB       CYS  46 -11.031 -10.657  -3.365
  Start of MODEL    9
    1    H1   ALA   1           H        ALA   1 -11.463 -10.223   9.147
    2    HA   ALA   1           HA       ALA   1 -12.978  -9.573   7.113
    3    HB1  ALA   1          1HB       ALA   1 -12.347  -7.411   6.144
    4    HB2  ALA   1          2HB       ALA   1 -11.330  -7.078   7.544
    5    HB3  ALA   1          3HB       ALA   1 -13.080  -7.202   7.734
    6    H    LYS   2           H        LYS   2 -12.032 -10.191   5.162
    7    HA   LYS   2           HA       LYS   2  -9.327 -11.118   5.391
    8    HB2  LYS   2          2HB       LYS   2 -11.193 -11.143   3.012
    9    HB3  LYS   2          1HB       LYS   2  -9.638 -11.956   3.072
   10    HG2  LYS   2          2HG       LYS   2 -10.513 -13.340   4.951
   11    HG3  LYS   2          1HG       LYS   2 -12.090 -12.594   4.708
   12    HD2  LYS   2          2HD       LYS   2 -10.555 -14.238   2.680
   13    HD3  LYS   2          1HD       LYS   2 -11.965 -14.768   3.588
   14    HE2  LYS   2          2HE       LYS   2 -11.902 -12.511   1.574
   15    HE3  LYS   2          1HE       LYS   2 -12.522 -14.130   1.285
   16    HZ1  LYS   2          1HZ       LYS   2 -13.630 -12.257   3.310
   17    HZ2  LYS   2          2HZ       LYS   2 -14.237 -13.766   2.905
   18    HZ3  LYS   2          3HZ       LYS   2 -14.278 -12.519   1.779
   19    H    HIS   3           H        HIS   3  -7.570 -10.378   4.243
   20    HA   HIS   3           HA       HIS   3  -7.857  -7.650   3.250
   21    HB2  HIS   3          2HB       HIS   3  -5.371  -7.477   3.564
   22    HB3  HIS   3          1HB       HIS   3  -6.264  -7.713   5.050
   23    HD1  HIS   3          1HD       HIS   3  -4.130  -9.819   2.609
   24    HD2  HIS   3          2HD       HIS   3  -5.321  -9.703   6.592
   25    HE1  HIS   3          1HE       HIS   3  -2.827 -11.603   3.766
   26    H    CYS   4           H        CYS   4  -7.136  -7.060   1.265
   27    HA   CYS   4           HA       CYS   4  -6.191  -9.242  -0.423
   28    HB2  CYS   4          2HB       CYS   4  -8.415  -8.528  -1.063
   29    HB3  CYS   4          1HB       CYS   4  -7.884  -6.849  -1.110
   30    H    GLY   5           H        GLY   5  -4.138  -8.951  -0.195
   31    HA2  GLY   5          2HA       GLY   5  -2.976  -6.302  -0.193
   32    HA3  GLY   5          1HA       GLY   5  -2.138  -7.806   0.126
   33    H    LYS   6           H        LYS   6  -2.596  -5.351  -1.999
   34    HA   LYS   6           HA       LYS   6  -1.695  -6.879  -4.294
   35    HB2  LYS   6          2HB       LYS   6  -3.429  -5.234  -4.668
   36    HB3  LYS   6          1HB       LYS   6  -2.410  -3.980  -3.948
   37    HG2  LYS   6          2HG       LYS   6  -0.787  -4.346  -5.796
   38    HG3  LYS   6          1HG       LYS   6  -1.944  -5.460  -6.528
   39    HD2  LYS   6          2HD       LYS   6  -3.585  -3.661  -6.688
   40    HD3  LYS   6          1HD       LYS   6  -2.449  -2.550  -5.924
   41    HE2  LYS   6          2HE       LYS   6  -2.437  -2.221  -8.321
   42    HE3  LYS   6          1HE       LYS   6  -0.892  -2.882  -7.792
   43    HZ1  LYS   6          1HZ       LYS   6  -1.608  -5.060  -8.548
   44    HZ2  LYS   6          2HZ       LYS   6  -1.687  -3.935  -9.798
   45    HZ3  LYS   6          3HZ       LYS   6  -3.099  -4.422  -9.031
   46    H    HIS   7           H        HIS   7   0.312  -6.980  -4.706
   47    HA   HIS   7           HA       HIS   7   2.242  -5.406  -3.209
   48    HB2  HIS   7          2HB       HIS   7   2.640  -7.841  -3.473
   49    HB3  HIS   7          1HB       HIS   7   2.625  -7.656  -5.218
   50    HD1  HIS   7          1HD       HIS   7   4.931  -7.845  -2.394
   51    HD2  HIS   7          2HD       HIS   7   4.901  -6.028  -6.139
   52    HE1  HIS   7          1HE       HIS   7   7.332  -7.392  -2.965
   53    H    SER   8           H        SER   8   2.254  -3.397  -4.024
   54    HA   SER   8           HA       SER   8   2.021  -2.829  -6.793
   55    HB2  SER   8          2HB       SER   8   1.384  -1.162  -5.080
   56    HB3  SER   8          1HB       SER   8   3.054  -1.098  -4.517
   57    HG   SER   8           HG       SER   8   3.295   0.400  -5.929
   58    H    LYS   9           H        LYS   9   3.579  -2.916  -8.291
   59    HA   LYS   9           HA       LYS   9   6.198  -3.723  -7.440
   60    HB2  LYS   9          2HB       LYS   9   5.086  -3.285 -10.214
   61    HB3  LYS   9          1HB       LYS   9   6.685  -3.931  -9.873
   62    HG2  LYS   9          2HG       LYS   9   5.629  -5.825  -8.686
   63    HG3  LYS   9          1HG       LYS   9   4.049  -5.190  -9.133
   64    HD2  LYS   9          2HD       LYS   9   4.636  -5.414 -11.504
   65    HD3  LYS   9          1HD       LYS   9   6.213  -6.056 -11.050
   66    HE2  LYS   9          2HE       LYS   9   3.553  -7.316 -10.366
   67    HE3  LYS   9          1HE       LYS   9   4.606  -7.821 -11.683
   68    HZ1  LYS   9          1HZ       LYS   9   6.306  -8.384 -10.018
   69    HZ2  LYS   9          2HZ       LYS   9   4.871  -9.225  -9.770
   70    HZ3  LYS   9          3HZ       LYS   9   5.254  -7.939  -8.775
   71    H    SER  10           H        SER  10   4.795  -0.854  -7.594
   72    HA   SER  10           HA       SER  10   7.314   0.513  -8.163
   73    HB2  SER  10          2HB       SER  10   5.451   0.988  -9.829
   74    HB3  SER  10          1HB       SER  10   4.516   1.643  -8.491
   75    HG   SER  10           HG       SER  10   7.099   2.584  -9.052
   76    H    TRP  11           H        TRP  11   8.116   1.405  -6.392
   77    HA   TRP  11           HA       TRP  11   6.539   1.527  -3.930
   78    HB2  TRP  11          2HB       TRP  11   9.470   2.198  -4.329
   79    HB3  TRP  11          1HB       TRP  11   8.654   1.898  -2.805
   80    HD1  TRP  11           HD       TRP  11   8.319  -0.675  -2.092
   81    HE1  TRP  11          1HE       TRP  11   9.401  -2.868  -2.964
   82    HE3  TRP  11          3HE       TRP  11  10.300   1.079  -6.473
   83    HZ2  TRP  11          2HZ       TRP  11  10.891  -3.701  -5.207
   84    HZ3  TRP  11          3HZ       TRP  11  11.533  -0.477  -7.909
   85    HH2  TRP  11           HH       TRP  11  11.819  -2.815  -7.287
   86    H    ASN  12           H        ASN  12   7.077   3.569  -2.555
   87    HA   ASN  12           HA       ASN  12   6.449   5.920  -4.081
   88    HB2  ASN  12          2HB       ASN  12   5.440   5.746  -1.899
   89    HB3  ASN  12          1HB       ASN  12   7.000   5.471  -1.138
   90   HD21  ASN  12          1HD2      ASN  12   4.862   7.870  -2.523
   91   HD22  ASN  12          2HD2      ASN  12   5.708   9.233  -1.889
   92    H    GLY  13           H        GLY  13   9.156   4.440  -3.054
   93    HA2  GLY  13          2HA       GLY  13  11.189   5.492  -4.360
   94    HA3  GLY  13          1HA       GLY  13  10.925   6.786  -3.180
   95    H    LYS  14           H        LYS  14  10.061   5.212  -1.105
   96    HA   LYS  14           HA       LYS  14  11.968   3.167  -0.558
   97    HB2  LYS  14          2HB       LYS  14  13.074   5.259   0.275
   98    HB3  LYS  14          1HB       LYS  14  11.638   5.611   1.229
   99    HG2  LYS  14          2HG       LYS  14  11.985   3.651   2.563
  100    HG3  LYS  14          1HG       LYS  14  13.327   3.157   1.541
  101    HD2  LYS  14          2HD       LYS  14  14.600   5.090   2.252
  102    HD3  LYS  14          1HD       LYS  14  13.236   5.648   3.225
  103    HE2  LYS  14          2HE       LYS  14  14.883   4.493   4.601
  104    HE3  LYS  14          1HE       LYS  14  13.347   3.635   4.573
  105    HZ1  LYS  14          1HZ       LYS  14  14.297   2.095   2.930
  106    HZ2  LYS  14          2HZ       LYS  14  15.197   2.115   4.342
  107    HZ3  LYS  14          3HZ       LYS  14  15.758   2.929   2.982
  108    H    CYS  15           H        CYS  15  11.120   1.955   1.418
  109    HA   CYS  15           HA       CYS  15   8.253   1.990   1.222
  110    HB2  CYS  15          2HB       CYS  15   9.550  -0.111   1.052
  111    HB3  CYS  15          1HB       CYS  15  10.064   0.116   2.722
  112    H    PHE  16           H        PHE  16   7.045   2.997   2.602
  113    HA   PHE  16           HA       PHE  16   7.731   3.048   5.410
  114    HB2  PHE  16          2HB       PHE  16   7.020   5.474   3.761
  115    HB3  PHE  16          1HB       PHE  16   6.718   5.418   5.493
  116    HD1  PHE  16          1HD       PHE  16   8.677   5.129   7.026
  117    HD2  PHE  16          2HD       PHE  16   9.122   6.019   2.888
  118    HE1  PHE  16          1HE       PHE  16  10.952   5.937   7.448
  119    HE2  PHE  16          2HE       PHE  16  11.393   6.825   3.311
  120    HZ   PHE  16           HZ       PHE  16  12.314   6.780   5.599
  121    H    HIS  17           H        HIS  17   5.992   2.854   6.682
  122    HA   HIS  17           HA       HIS  17   3.876   1.373   5.630
  123    HB2  HIS  17          2HB       HIS  17   4.081   2.711   8.334
  124    HB3  HIS  17          1HB       HIS  17   2.838   1.556   7.879
  125    HD1  HIS  17          1HD       HIS  17   3.399  -0.907   8.229
  126    HD2  HIS  17          2HD       HIS  17   6.738   1.572   8.435
  127    HE1  HIS  17          1HE       HIS  17   5.303  -2.338   9.064
  128    H    LYS  18           H        LYS  18   3.604   4.587   7.202
  129    HA   LYS  18           HA       LYS  18   0.975   4.756   6.179
  130    HB2  LYS  18          2HB       LYS  18   2.567   6.805   7.695
  131    HB3  LYS  18          1HB       LYS  18   0.906   7.040   7.177
  132    HG2  LYS  18          2HG       LYS  18   0.283   4.988   8.432
  133    HG3  LYS  18          1HG       LYS  18   1.933   4.948   9.057
  134    HD2  LYS  18          2HD       LYS  18   1.631   7.097  10.092
  135    HD3  LYS  18          1HD       LYS  18   0.015   7.244   9.395
  136    HE2  LYS  18          2HE       LYS  18  -0.613   5.165  10.649
  137    HE3  LYS  18          1HE       LYS  18   0.957   5.240  11.442
  138    HZ1  LYS  18          1HZ       LYS  18  -1.175   7.290  11.568
  139    HZ2  LYS  18          2HZ       LYS  18   0.355   7.446  12.267
  140    HZ3  LYS  18          3HZ       LYS  18  -0.703   6.257  12.818
  141    H    LYS  19           H        LYS  19   4.004   5.879   5.044
  142    HA   LYS  19           HA       LYS  19   3.044   7.858   3.301
  143    HB2  LYS  19          2HB       LYS  19   5.471   7.480   3.786
  144    HB3  LYS  19          1HB       LYS  19   5.367   6.008   2.833
  145    HG2  LYS  19          2HG       LYS  19   6.380   7.796   1.545
  146    HG3  LYS  19          1HG       LYS  19   4.856   7.281   0.841
  147    HD2  LYS  19          2HD       LYS  19   5.071   9.721   0.789
  148    HD3  LYS  19          1HD       LYS  19   3.726   9.232   1.809
  149    HE2  LYS  19          2HE       LYS  19   4.968  11.040   2.860
  150    HE3  LYS  19          1HE       LYS  19   5.138   9.568   3.802
  151    HZ1  LYS  19          1HZ       LYS  19   7.179  10.619   1.900
  152    HZ2  LYS  19          2HZ       LYS  19   7.342   9.254   2.872
  153    HZ3  LYS  19          3HZ       LYS  19   7.216  10.766   3.573
  154    H    CYS  20           H        CYS  20   3.720   4.394   2.695
  155    HA   CYS  20           HA       CYS  20   2.506   4.547   0.152
  156    HB2  CYS  20          2HB       CYS  20   3.344   2.151   1.801
  157    HB3  CYS  20          1HB       CYS  20   2.725   2.057   0.149
  158    H    ASN  21           H        ASN  21   1.307   4.001   3.359
  159    HA   ASN  21           HA       ASN  21  -1.160   2.808   2.828
  160    HB2  ASN  21          2HB       ASN  21  -0.273   3.233   5.105
  161    HB3  ASN  21          1HB       ASN  21  -0.529   4.957   4.850
  162   HD21  ASN  21          1HD2      ASN  21  -1.948   5.195   6.509
  163   HD22  ASN  21          2HD2      ASN  21  -3.538   4.527   6.493
  164    H    HIS  22           H        HIS  22  -0.450   6.266   3.245
  165    HA   HIS  22           HA       HIS  22  -3.016   7.060   2.355
  166    HB2  HIS  22          2HB       HIS  22  -0.486   8.686   2.727
  167    HB3  HIS  22          1HB       HIS  22  -2.051   9.385   2.342
  168    HD1  HIS  22          1HD       HIS  22  -3.666   9.753   4.315
  169    HD2  HIS  22          2HD       HIS  22  -0.286   7.572   5.336
  170    HE1  HIS  22          1HE       HIS  22  -3.690   9.564   6.839
  171    H    TRP  23           H        TRP  23   0.092   6.735   0.774
  172    HA   TRP  23           HA       TRP  23  -0.430   7.964  -1.676
  173    HB2  TRP  23          2HB       TRP  23   1.784   7.122  -0.918
  174    HB3  TRP  23          1HB       TRP  23   1.195   5.481  -1.124
  175    HD1  TRP  23           HD       TRP  23   1.093   4.519  -3.611
  176    HE1  TRP  23          1HE       TRP  23   2.174   5.310  -5.800
  177    HE3  TRP  23          3HE       TRP  23   2.415   9.239  -2.200
  178    HZ2  TRP  23          2HZ       TRP  23   3.428   7.633  -6.798
  179    HZ3  TRP  23          3HZ       TRP  23   3.559  10.683  -3.836
  180    HH2  TRP  23           HH       TRP  23   4.048   9.889  -6.081
  181    H    CYS  24           H        CYS  24  -0.795   4.531  -0.774
  182    HA   CYS  24           HA       CYS  24  -2.037   3.906  -3.210
  183    HB2  CYS  24          2HB       CYS  24  -1.646   2.373  -0.679
  184    HB3  CYS  24          1HB       CYS  24  -2.645   1.722  -1.972
  185    H    MET  25           H        MET  25  -3.357   4.762  -0.057
  186    HA   MET  25           HA       MET  25  -5.981   3.973  -0.720
  187    HB2  MET  25          2HB       MET  25  -5.257   4.374   1.606
  188    HB3  MET  25          1HB       MET  25  -5.097   6.088   1.256
  189    HG2  MET  25          2HG       MET  25  -7.477   6.257   0.840
  190    HG3  MET  25          1HG       MET  25  -7.664   4.525   1.091
  191    HE1  MET  25          1HE       MET  25  -9.601   5.005   2.762
  192    HE2  MET  25          2HE       MET  25  -9.409   6.752   2.601
  193    HE3  MET  25          3HE       MET  25  -9.454   6.011   4.202
  194    H    GLU  26           H        GLU  26  -4.271   7.042  -1.071
  195    HA   GLU  26           HA       GLU  26  -6.593   8.358  -2.099
  196    HB2  GLU  26          2HB       GLU  26  -4.943   9.562  -0.790
  197    HB3  GLU  26          1HB       GLU  26  -3.717   9.218  -1.999
  198    HG2  GLU  26          2HG       GLU  26  -4.949  10.542  -3.628
  199    HG3  GLU  26          1HG       GLU  26  -6.183  10.888  -2.416
  200    H    LYS  27           H        LYS  27  -3.514   7.225  -3.576
  201    HA   LYS  27           HA       LYS  27  -4.530   8.094  -6.160
  202    HB2  LYS  27          2HB       LYS  27  -2.163   8.448  -5.457
  203    HB3  LYS  27          1HB       LYS  27  -1.928   6.710  -5.621
  204    HG2  LYS  27          2HG       LYS  27  -2.480   6.781  -7.949
  205    HG3  LYS  27          1HG       LYS  27  -2.949   8.474  -7.832
  206    HD2  LYS  27          2HD       LYS  27  -0.870   8.459  -8.803
  207    HD3  LYS  27          1HD       LYS  27  -0.591   8.948  -7.138
  208    HE2  LYS  27          2HE       LYS  27   1.138   7.385  -7.747
  209    HE3  LYS  27          1HE       LYS  27   0.054   6.591  -6.613
  210    HZ1  LYS  27          1HZ       LYS  27   0.715   5.217  -8.516
  211    HZ2  LYS  27          2HZ       LYS  27  -0.105   6.248  -9.566
  212    HZ3  LYS  27          3HZ       LYS  27  -0.952   5.366  -8.389
  213    H    GLU  28           H        GLU  28  -3.980   5.032  -4.474
  214    HA   GLU  28           HA       GLU  28  -4.447   3.656  -7.007
  215    HB2  GLU  28          2HB       GLU  28  -3.422   2.604  -4.374
  216    HB3  GLU  28          1HB       GLU  28  -3.590   1.664  -5.844
  217    HG2  GLU  28          2HG       GLU  28  -1.792   4.059  -5.505
  218    HG3  GLU  28          1HG       GLU  28  -1.278   2.373  -5.445
  219    H    ASP  29           H        ASP  29  -6.233   4.714  -4.476
  220    HA   ASP  29           HA       ASP  29  -8.333   4.371  -3.735
  221    HB2  ASP  29          2HB       ASP  29  -8.967   4.079  -6.113
  222    HB3  ASP  29          1HB       ASP  29  -8.546   2.377  -6.027
  223    H    ALA  30           H        ALA  30  -5.989   2.599  -3.004
  224    HA   ALA  30           HA       ALA  30  -7.095   0.117  -2.127
  225    HB1  ALA  30          1HB       ALA  30  -5.020  -0.148  -0.864
  226    HB2  ALA  30          2HB       ALA  30  -4.614   1.541  -1.166
  227    HB3  ALA  30          3HB       ALA  30  -4.679   0.397  -2.507
  228    H    LYS  31           H        LYS  31  -7.165  -0.451   0.199
  229    HA   LYS  31           HA       LYS  31  -8.659   1.636   1.550
  230    HB2  LYS  31          2HB       LYS  31  -8.356  -1.300   2.146
  231    HB3  LYS  31          1HB       LYS  31  -9.224  -0.190   3.200
  232    HG2  LYS  31          2HG       LYS  31 -10.729   0.369   1.353
  233    HG3  LYS  31          1HG       LYS  31  -9.873  -0.777   0.324
  234    HD2  LYS  31          2HD       LYS  31 -10.531  -2.610   1.725
  235    HD3  LYS  31          1HD       LYS  31 -11.238  -1.507   2.907
  236    HE2  LYS  31          2HE       LYS  31 -12.164  -1.786   0.052
  237    HE3  LYS  31          1HE       LYS  31 -12.909  -2.593   1.429
  238    HZ1  LYS  31          1HZ       LYS  31 -12.696   0.354   1.056
  239    HZ2  LYS  31          2HZ       LYS  31 -13.421  -0.400   2.358
  240    HZ3  LYS  31          3HZ       LYS  31 -14.092  -0.552   0.825
  241    H    TYR  32           H        TYR  32  -5.846  -0.399   2.139
  242    HA   TYR  32           HA       TYR  32  -4.697   1.716   3.648
  243    HB2  TYR  32          2HB       TYR  32  -4.328   0.491   5.737
  244    HB3  TYR  32          1HB       TYR  32  -6.044   0.677   5.436
  245    HD1  TYR  32          1HD       TYR  32  -3.397  -1.601   6.185
  246    HD2  TYR  32          2HD       TYR  32  -7.296  -1.385   4.494
  247    HE1  TYR  32          1HE       TYR  32  -3.680  -4.006   6.546
  248    HE2  TYR  32          2HE       TYR  32  -7.587  -3.791   4.850
  249    HH   TYR  32           HH       TYR  32  -5.405  -5.650   6.767
  250    H    GLY  33           H        GLY  33  -2.586   1.660   3.557
  251    HA2  GLY  33          2HA       GLY  33  -1.359  -0.760   2.399
  252    HA3  GLY  33          1HA       GLY  33  -0.804   0.870   2.017
  253    H    SER  34           H        SER  34   0.870  -1.142   3.027
  254    HA   SER  34           HA       SER  34   1.854   0.249   5.334
  255    HB2  SER  34          2HB       SER  34   0.241  -1.423   6.300
  256    HB3  SER  34          1HB       SER  34   1.178  -2.710   5.543
  257    HG   SER  34           HG       SER  34   2.132  -2.659   7.411
  258    H    CYS  35           H        CYS  35   3.929  -1.041   6.047
  259    HA   CYS  35           HA       CYS  35   5.419  -1.658   3.594
  260    HB2  CYS  35          2HB       CYS  35   6.152   0.321   5.071
  261    HB3  CYS  35          1HB       CYS  35   6.520  -0.884   6.301
  262    H    SER  36           H        SER  36   6.103  -3.746   3.434
  263    HA   SER  36           HA       SER  36   6.297  -5.245   5.916
  264    HB2  SER  36          2HB       SER  36   4.078  -5.634   4.718
  265    HB3  SER  36          1HB       SER  36   5.018  -6.361   3.416
  266    HG   SER  36           HG       SER  36   4.664  -7.160   6.056
  267    H    HIS  37           H        HIS  37   8.330  -5.791   6.025
  268    HA   HIS  37           HA       HIS  37  10.372  -6.575   5.599
  269    HB2  HIS  37          2HB       HIS  37   9.029  -7.887   3.222
  270    HB3  HIS  37          1HB       HIS  37  10.694  -8.196   3.694
  271    HD1  HIS  37          1HD       HIS  37  11.061  -9.716   5.788
  272    HD2  HIS  37          2HD       HIS  37   7.071  -9.005   4.854
  273    HE1  HIS  37          1HE       HIS  37   9.732 -11.407   7.104
  274    H    GLY  38           H        GLY  38   9.336  -4.055   4.322
  275    HA2  GLY  38          2HA       GLY  38  10.793  -2.400   3.453
  276    HA3  GLY  38          1HA       GLY  38  11.713  -3.676   2.671
  277    H    ASP  39           H        ASP  39   8.455  -4.263   2.169
  278    HA   ASP  39           HA       ASP  39   8.475  -2.649  -0.281
  279    HB2  ASP  39          2HB       ASP  39   7.516  -5.465   0.097
  280    HB3  ASP  39          1HB       ASP  39   7.062  -4.512  -1.306
  281    H    CYS  40           H        CYS  40   6.516  -1.838  -0.980
  282    HA   CYS  40           HA       CYS  40   4.703  -1.400   1.225
  283    HB2  CYS  40          2HB       CYS  40   4.880  -0.088  -1.494
  284    HB3  CYS  40          1HB       CYS  40   3.697   0.331  -0.259
  285    H    TYR  41           H        TYR  41   3.062  -2.595   1.496
  286    HA   TYR  41           HA       TYR  41   1.794  -3.899  -0.788
  287    HB2  TYR  41          2HB       TYR  41   2.007  -4.641   2.113
  288    HB3  TYR  41          1HB       TYR  41   0.691  -5.271   1.131
  289    HD1  TYR  41          1HD       TYR  41   4.465  -5.083   1.230
  290    HD2  TYR  41          2HD       TYR  41   0.995  -7.167  -0.136
  291    HE1  TYR  41          1HE       TYR  41   5.865  -6.899   0.429
  292    HE2  TYR  41          2HE       TYR  41   2.402  -8.983  -0.945
  293    HH   TYR  41           HH       TYR  41   5.526  -9.408  -0.046
  294    H    CYS  42           H        CYS  42  -0.148  -3.290  -1.337
  295    HA   CYS  42           HA       CYS  42  -1.500  -1.411   0.450
  296    HB2  CYS  42          2HB       CYS  42  -1.524  -1.488  -2.575
  297    HB3  CYS  42          1HB       CYS  42  -2.294  -0.267  -1.552
  298    H    TYR  43           H        TYR  43  -3.324  -2.148   1.249
  299    HA   TYR  43           HA       TYR  43  -4.383  -4.594   0.128
  300    HB2  TYR  43          2HB       TYR  43  -4.883  -3.303   2.798
  301    HB3  TYR  43          1HB       TYR  43  -5.482  -4.871   2.278
  302    HD1  TYR  43          1HD       TYR  43  -3.997  -6.786   2.172
  303    HD2  TYR  43          2HD       TYR  43  -2.556  -2.985   3.388
  304    HE1  TYR  43          1HE       TYR  43  -2.010  -7.854   3.050
  305    HE2  TYR  43          2HE       TYR  43  -0.533  -4.014   4.275
  306    HH   TYR  43           HH       TYR  43   0.406  -7.166   3.610
  307    H    TYR  44           H        TYR  44  -6.178  -4.742  -0.723
  308    HA   TYR  44           HA       TYR  44  -8.228  -2.629  -0.615
  309    HB2  TYR  44          2HB       TYR  44  -7.700  -4.803  -2.679
  310    HB3  TYR  44          1HB       TYR  44  -9.034  -3.673  -2.740
  311    HD1  TYR  44          1HD       TYR  44  -8.772  -1.588  -3.811
  312    HD2  TYR  44          2HD       TYR  44  -5.324  -3.906  -2.904
  313    HE1  TYR  44          1HE       TYR  44  -7.439  -0.114  -5.178
  314    HE2  TYR  44          2HE       TYR  44  -3.964  -2.416  -4.283
  315    HH   TYR  44           HH       TYR  44  -5.238   0.537  -5.562
  316    H    HIS  45           H        HIS  45 -10.385  -4.159  -1.318
  317    HA   HIS  45           HA       HIS  45 -10.247  -6.521   0.394
  318    HB2  HIS  45          2HB       HIS  45 -11.592  -4.625   1.411
  319    HB3  HIS  45          1HB       HIS  45 -12.680  -4.746   0.036
  320    HD1  HIS  45          1HD       HIS  45 -11.758  -6.434   3.234
  321    HD2  HIS  45          2HD       HIS  45 -14.374  -6.985   0.053
  322    HE1  HIS  45          1HE       HIS  45 -13.376  -8.213   3.973
  323    H    CYS  46           H        CYS  46 -10.466  -8.259  -0.857
  324    HA   CYS  46           HA       CYS  46 -12.038  -8.031  -3.308
  325    HB2  CYS  46          2HB       CYS  46  -9.524  -9.659  -2.865
  326    HB3  CYS  46          1HB       CYS  46 -10.426  -9.500  -4.362
  Start of MODEL   10
    1    H1   ALA   1           H        ALA   1 -11.885  -8.646   8.205
    2    HA   ALA   1           HA       ALA   1 -13.105  -8.294   5.911
    3    HB1  ALA   1          1HB       ALA   1 -12.883  -5.844   6.046
    4    HB2  ALA   1          2HB       ALA   1 -12.132  -6.519   4.597
    5    HB3  ALA   1          3HB       ALA   1 -11.128  -6.026   5.957
    6    H    LYS   2           H        LYS   2 -12.139  -9.402   4.270
    7    HA   LYS   2           HA       LYS   2  -9.664 -10.685   4.793
    8    HB2  LYS   2          2HB       LYS   2 -11.340 -11.901   3.559
    9    HB3  LYS   2          1HB       LYS   2 -11.490 -10.610   2.383
   10    HG2  LYS   2          2HG       LYS   2 -10.315 -12.535   1.455
   11    HG3  LYS   2          1HG       LYS   2  -9.269 -11.119   1.515
   12    HD2  LYS   2          2HD       LYS   2  -8.251 -11.986   3.573
   13    HD3  LYS   2          1HD       LYS   2  -9.274 -13.422   3.465
   14    HE2  LYS   2          2HE       LYS   2  -7.033 -13.860   2.587
   15    HE3  LYS   2          1HE       LYS   2  -8.251 -13.988   1.325
   16    HZ1  LYS   2          1HZ       LYS   2  -6.258 -12.767   0.608
   17    HZ2  LYS   2          2HZ       LYS   2  -6.534 -11.576   1.756
   18    HZ3  LYS   2          3HZ       LYS   2  -7.632 -11.832   0.500
   19    H    HIS   3           H        HIS   3  -7.872  -9.469   4.722
   20    HA   HIS   3           HA       HIS   3  -7.734  -7.295   2.886
   21    HB2  HIS   3          2HB       HIS   3  -5.359  -6.999   3.756
   22    HB3  HIS   3          1HB       HIS   3  -6.656  -6.768   4.908
   23    HD1  HIS   3          1HD       HIS   3  -3.871  -9.233   4.064
   24    HD2  HIS   3          2HD       HIS   3  -6.590  -8.374   7.086
   25    HE1  HIS   3          1HE       HIS   3  -3.146 -10.590   6.045
   26    H    CYS   4           H        CYS   4  -6.910  -7.184   1.035
   27    HA   CYS   4           HA       CYS   4  -5.430  -9.485  -0.001
   28    HB2  CYS   4          2HB       CYS   4  -7.394  -7.649  -1.391
   29    HB3  CYS   4          1HB       CYS   4  -6.566  -9.005  -2.147
   30    H    GLY   5           H        GLY   5  -3.414  -8.910  -0.604
   31    HA2  GLY   5          2HA       GLY   5  -2.883  -6.027  -0.569
   32    HA3  GLY   5          1HA       GLY   5  -1.725  -7.266  -0.138
   33    H    LYS   6           H        LYS   6  -2.299  -5.038  -2.262
   34    HA   LYS   6           HA       LYS   6  -1.645  -6.340  -4.728
   35    HB2  LYS   6          2HB       LYS   6  -2.792  -4.255  -4.815
   36    HB3  LYS   6          1HB       LYS   6  -1.554  -3.482  -3.810
   37    HG2  LYS   6          2HG       LYS   6   0.065  -3.965  -5.684
   38    HG3  LYS   6          1HG       LYS   6  -1.335  -4.392  -6.665
   39    HD2  LYS   6          2HD       LYS   6  -2.231  -2.177  -6.456
   40    HD3  LYS   6          1HD       LYS   6  -0.988  -1.737  -5.281
   41    HE2  LYS   6          2HE       LYS   6  -0.509  -2.474  -8.167
   42    HE3  LYS   6          1HE       LYS   6  -0.474  -0.844  -7.504
   43    HZ1  LYS   6          1HZ       LYS   6   1.423  -3.046  -6.744
   44    HZ2  LYS   6          2HZ       LYS   6   1.446  -1.471  -6.142
   45    HZ3  LYS   6          3HZ       LYS   6   1.740  -1.748  -7.756
   46    H    HIS   7           H        HIS   7   0.308  -6.823  -5.402
   47    HA   HIS   7           HA       HIS   7   2.585  -6.475  -3.726
   48    HB2  HIS   7          2HB       HIS   7   2.163  -7.713  -6.435
   49    HB3  HIS   7          1HB       HIS   7   3.702  -7.654  -5.601
   50    HD1  HIS   7          1HD       HIS   7   0.504  -9.540  -5.753
   51    HD2  HIS   7          2HD       HIS   7   3.881  -9.329  -3.342
   52    HE1  HIS   7          1HE       HIS   7   0.503 -11.655  -4.383
   53    H    SER   8           H        SER   8   4.412  -5.331  -4.294
   54    HA   SER   8           HA       SER   8   4.400  -3.737  -6.707
   55    HB2  SER   8          2HB       SER   8   5.006  -2.629  -3.941
   56    HB3  SER   8          1HB       SER   8   5.165  -1.757  -5.467
   57    HG   SER   8           HG       SER   8   3.099  -1.828  -3.940
   58    H    LYS   9           H        LYS   9   6.133  -4.409  -7.695
   59    HA   LYS   9           HA       LYS   9   8.139  -5.947  -6.398
   60    HB2  LYS   9          2HB       LYS   9   7.310  -6.380  -8.677
   61    HB3  LYS   9          1HB       LYS   9   8.022  -4.870  -9.212
   62    HG2  LYS   9          2HG       LYS   9  10.237  -5.726  -8.782
   63    HG3  LYS   9          1HG       LYS   9   9.558  -7.218  -8.126
   64    HD2  LYS   9          2HD       LYS   9   8.544  -7.731 -10.279
   65    HD3  LYS   9          1HD       LYS   9   9.155  -6.220 -10.947
   66    HE2  LYS   9          2HE       LYS   9  10.830  -8.499  -9.905
   67    HE3  LYS   9          1HE       LYS   9  10.529  -8.135 -11.602
   68    HZ1  LYS   9          1HZ       LYS   9  11.629  -6.008 -11.300
   69    HZ2  LYS   9          2HZ       LYS   9  12.650  -7.276 -10.892
   70    HZ3  LYS   9          3HZ       LYS   9  11.934  -6.363  -9.679
   71    H    SER  10           H        SER  10   7.935  -2.634  -7.514
   72    HA   SER  10           HA       SER  10  10.121  -1.876  -5.867
   73    HB2  SER  10          2HB       SER  10  11.395  -0.808  -7.821
   74    HB3  SER  10          1HB       SER  10  11.507  -2.565  -7.707
   75    HG   SER  10           HG       SER  10   9.518  -1.318  -9.259
   76    H    TRP  11           H        TRP  11   8.852  -0.407  -4.876
   77    HA   TRP  11           HA       TRP  11   7.303   1.380  -6.608
   78    HB2  TRP  11          2HB       TRP  11   5.993   0.066  -5.024
   79    HB3  TRP  11          1HB       TRP  11   6.891   0.775  -3.687
   80    HD1  TRP  11           HD       TRP  11   5.813   2.858  -2.637
   81    HE1  TRP  11          1HE       TRP  11   3.973   4.533  -3.356
   82    HE3  TRP  11          3HE       TRP  11   5.024   1.224  -7.413
   83    HZ2  TRP  11          2HZ       TRP  11   2.441   5.090  -5.629
   84    HZ3  TRP  11          3HZ       TRP  11   3.365   2.397  -8.794
   85    HH2  TRP  11           HH       TRP  11   2.107   4.294  -7.905
   86    H    ASN  12           H        ASN  12   9.486   1.508  -3.776
   87    HA   ASN  12           HA       ASN  12  10.197   4.204  -4.490
   88    HB2  ASN  12          2HB       ASN  12   8.027   4.468  -3.206
   89    HB3  ASN  12          1HB       ASN  12   8.802   3.708  -1.831
   90   HD21  ASN  12          1HD2      ASN  12   7.579   6.349  -2.174
   91   HD22  ASN  12          2HD2      ASN  12   8.765   7.513  -1.726
   92    H    GLY  13           H        GLY  13  12.125   4.767  -3.587
   93    HA2  GLY  13          2HA       GLY  13  13.872   2.717  -2.797
   94    HA3  GLY  13          1HA       GLY  13  14.207   4.441  -2.704
   95    H    LYS  14           H        LYS  14  11.886   4.925  -0.916
   96    HA   LYS  14           HA       LYS  14  12.830   3.533   1.478
   97    HB2  LYS  14          2HB       LYS  14  13.450   5.975   1.421
   98    HB3  LYS  14          1HB       LYS  14  11.719   6.319   1.329
   99    HG2  LYS  14          2HG       LYS  14  12.393   6.629   3.541
  100    HG3  LYS  14          1HG       LYS  14  11.406   5.169   3.482
  101    HD2  LYS  14          2HD       LYS  14  13.587   3.866   3.376
  102    HD3  LYS  14          1HD       LYS  14  14.400   5.382   3.735
  103    HE2  LYS  14          2HE       LYS  14  14.122   4.182   5.800
  104    HE3  LYS  14          1HE       LYS  14  13.040   5.574   5.799
  105    HZ1  LYS  14          1HZ       LYS  14  11.954   3.606   6.645
  106    HZ2  LYS  14          2HZ       LYS  14  12.257   2.756   5.248
  107    HZ3  LYS  14          3HZ       LYS  14  11.185   4.050   5.221
  108    H    CYS  15           H        CYS  15  11.240   2.612   2.614
  109    HA   CYS  15           HA       CYS  15   8.513   2.958   1.650
  110    HB2  CYS  15          2HB       CYS  15   9.477   0.683   1.665
  111    HB3  CYS  15          1HB       CYS  15   9.704   0.814   3.404
  112    H    PHE  16           H        PHE  16   7.010   3.877   2.898
  113    HA   PHE  16           HA       PHE  16   7.363   4.039   5.796
  114    HB2  PHE  16          2HB       PHE  16   6.592   6.248   3.889
  115    HB3  PHE  16          1HB       PHE  16   6.109   6.292   5.572
  116    HD1  PHE  16          1HD       PHE  16   8.748   6.956   3.190
  117    HD2  PHE  16          2HD       PHE  16   7.893   6.375   7.325
  118    HE1  PHE  16          1HE       PHE  16  10.833   8.090   3.798
  119    HE2  PHE  16          2HE       PHE  16   9.987   7.501   7.909
  120    HZ   PHE  16           HZ       PHE  16  11.453   8.360   6.152
  121    H    HIS  17           H        HIS  17   5.556   3.354   6.839
  122    HA   HIS  17           HA       HIS  17   3.488   2.181   5.294
  123    HB2  HIS  17          2HB       HIS  17   2.463   1.457   7.374
  124    HB3  HIS  17          1HB       HIS  17   4.197   1.262   7.530
  125    HD1  HIS  17          1HD       HIS  17   5.356   2.660   9.429
  126    HD2  HIS  17          2HD       HIS  17   1.290   3.405   8.998
  127    HE1  HIS  17          1HE       HIS  17   4.672   4.023  11.442
  128    H    LYS  18           H        LYS  18   3.737   5.157   7.110
  129    HA   LYS  18           HA       LYS  18   1.031   5.933   7.023
  130    HB2  LYS  18          2HB       LYS  18   2.723   7.008   8.477
  131    HB3  LYS  18          1HB       LYS  18   3.491   7.696   7.054
  132    HG2  LYS  18          2HG       LYS  18   1.344   8.882   6.569
  133    HG3  LYS  18          1HG       LYS  18   0.754   8.323   8.133
  134    HD2  LYS  18          2HD       LYS  18   2.622   9.480   9.236
  135    HD3  LYS  18          1HD       LYS  18   3.188  10.042   7.661
  136    HE2  LYS  18          2HE       LYS  18   0.967  11.152   7.351
  137    HE3  LYS  18          1HE       LYS  18   0.591  10.731   9.019
  138    HZ1  LYS  18          1HZ       LYS  18   1.441  12.980   8.871
  139    HZ2  LYS  18          2HZ       LYS  18   2.828  12.446   8.107
  140    HZ3  LYS  18          3HZ       LYS  18   2.558  12.028   9.711
  141    H    LYS  19           H        LYS  19   3.765   6.778   4.946
  142    HA   LYS  19           HA       LYS  19   2.301   8.365   3.136
  143    HB2  LYS  19          2HB       LYS  19   4.919   6.900   2.756
  144    HB3  LYS  19          1HB       LYS  19   4.277   8.067   1.620
  145    HG2  LYS  19          2HG       LYS  19   5.067   8.640   4.477
  146    HG3  LYS  19          1HG       LYS  19   6.000   9.060   3.041
  147    HD2  LYS  19          2HD       LYS  19   4.126  10.498   2.284
  148    HD3  LYS  19          1HD       LYS  19   3.254  10.103   3.762
  149    HE2  LYS  19          2HE       LYS  19   4.332  12.270   3.964
  150    HE3  LYS  19          1HE       LYS  19   5.054  11.119   5.085
  151    HZ1  LYS  19          1HZ       LYS  19   6.207  11.914   2.459
  152    HZ2  LYS  19          2HZ       LYS  19   6.911  10.853   3.563
  153    HZ3  LYS  19          3HZ       LYS  19   6.727  12.461   3.966
  154    H    CYS  20           H        CYS  20   3.141   4.951   3.157
  155    HA   CYS  20           HA       CYS  20   2.154   4.261   0.642
  156    HB2  CYS  20          2HB       CYS  20   3.553   2.785   2.049
  157    HB3  CYS  20          1HB       CYS  20   2.209   2.601   3.170
  158    H    ASN  21           H        ASN  21   0.585   4.154   3.839
  159    HA   ASN  21           HA       ASN  21  -1.926   3.266   3.095
  160    HB2  ASN  21          2HB       ASN  21  -1.281   3.404   5.421
  161    HB3  ASN  21          1HB       ASN  21  -1.117   5.151   5.316
  162   HD21  ASN  21          1HD2      ASN  21  -2.961   6.435   5.438
  163   HD22  ASN  21          2HD2      ASN  21  -4.494   5.822   5.858
  164    H    HIS  22           H        HIS  22  -0.777   6.604   3.377
  165    HA   HIS  22           HA       HIS  22  -3.281   7.665   2.586
  166    HB2  HIS  22          2HB       HIS  22  -0.596   8.990   2.911
  167    HB3  HIS  22          1HB       HIS  22  -2.039   9.860   2.400
  168    HD1  HIS  22          1HD       HIS  22  -3.783  10.420   4.214
  169    HD2  HIS  22          2HD       HIS  22  -0.629   8.090   5.559
  170    HE1  HIS  22          1HE       HIS  22  -3.998  10.350   6.718
  171    H    TRP  23           H        TRP  23  -0.498   6.664   0.777
  172    HA   TRP  23           HA       TRP  23  -1.290   8.017  -1.615
  173    HB2  TRP  23          2HB       TRP  23   1.044   7.053  -1.080
  174    HB3  TRP  23          1HB       TRP  23   0.363   5.479  -1.462
  175    HD1  TRP  23           HD       TRP  23  -1.213   6.126  -4.118
  176    HE1  TRP  23          1HE       TRP  23   0.050   6.793  -6.261
  177    HE3  TRP  23          3HE       TRP  23   3.196   7.654  -2.040
  178    HZ2  TRP  23          2HZ       TRP  23   2.563   7.811  -6.980
  179    HZ3  TRP  23          3HZ       TRP  23   4.982   8.449  -3.536
  180    HH2  TRP  23           HH       TRP  23   4.661   8.521  -5.956
  181    H    CYS  24           H        CYS  24  -1.418   4.608  -0.579
  182    HA   CYS  24           HA       CYS  24  -2.849   3.607  -2.724
  183    HB2  CYS  24          2HB       CYS  24  -2.702   2.633   0.121
  184    HB3  CYS  24          1HB       CYS  24  -3.393   1.693  -1.188
  185    H    MET  25           H        MET  25  -4.108   4.862   0.354
  186    HA   MET  25           HA       MET  25  -6.794   4.097  -0.138
  187    HB2  MET  25          2HB       MET  25  -5.949   4.505   2.115
  188    HB3  MET  25          1HB       MET  25  -5.685   6.196   1.731
  189    HG2  MET  25          2HG       MET  25  -8.099   6.504   1.437
  190    HG3  MET  25          1HG       MET  25  -8.357   4.805   1.828
  191    HE1  MET  25          1HE       MET  25  -7.265   4.656   5.598
  192    HE2  MET  25          2HE       MET  25  -6.226   4.349   4.212
  193    HE3  MET  25          3HE       MET  25  -7.882   3.741   4.222
  194    H    GLU  26           H        GLU  26  -5.011   7.087  -0.706
  195    HA   GLU  26           HA       GLU  26  -7.349   8.576  -1.416
  196    HB2  GLU  26          2HB       GLU  26  -5.384   9.582  -0.358
  197    HB3  GLU  26          1HB       GLU  26  -4.428   9.197  -1.776
  198    HG2  GLU  26          2HG       GLU  26  -5.976  10.655  -3.095
  199    HG3  GLU  26          1HG       GLU  26  -6.690  11.156  -1.560
  200    H    LYS  27           H        LYS  27  -4.906   6.757  -3.145
  201    HA   LYS  27           HA       LYS  27  -5.793   7.893  -5.655
  202    HB2  LYS  27          2HB       LYS  27  -3.383   7.626  -5.262
  203    HB3  LYS  27          1HB       LYS  27  -3.599   5.888  -5.140
  204    HG2  LYS  27          2HG       LYS  27  -2.722   6.440  -7.316
  205    HG3  LYS  27          1HG       LYS  27  -4.373   5.849  -7.488
  206    HD2  LYS  27          2HD       LYS  27  -5.175   8.177  -7.649
  207    HD3  LYS  27          1HD       LYS  27  -3.513   8.748  -7.506
  208    HE2  LYS  27          2HE       LYS  27  -4.635   7.034  -9.741
  209    HE3  LYS  27          1HE       LYS  27  -4.238   8.747  -9.836
  210    HZ1  LYS  27          1HZ       LYS  27  -1.919   8.157  -9.396
  211    HZ2  LYS  27          2HZ       LYS  27  -2.505   7.411 -10.792
  212    HZ3  LYS  27          3HZ       LYS  27  -2.329   6.519  -9.394
  213    H    GLU  28           H        GLU  28  -5.599   4.575  -4.249
  214    HA   GLU  28           HA       GLU  28  -7.354   3.784  -6.472
  215    HB2  GLU  28          2HB       GLU  28  -5.169   2.225  -5.127
  216    HB3  GLU  28          1HB       GLU  28  -6.345   1.497  -6.210
  217    HG2  GLU  28          2HG       GLU  28  -5.610   2.963  -8.011
  218    HG3  GLU  28          1HG       GLU  28  -4.456   3.722  -6.922
  219    H    ASP  29           H        ASP  29  -7.918   4.623  -3.620
  220    HA   ASP  29           HA       ASP  29  -9.483   4.207  -2.039
  221    HB2  ASP  29          2HB       ASP  29 -10.579   2.386  -4.177
  222    HB3  ASP  29          1HB       ASP  29 -11.359   2.549  -2.613
  223    H    ALA  30           H        ALA  30  -7.048   2.671  -1.954
  224    HA   ALA  30           HA       ALA  30  -7.670   0.062  -1.031
  225    HB1  ALA  30          1HB       ALA  30  -5.437   0.042  -0.054
  226    HB2  ALA  30          2HB       ALA  30  -5.310   1.784  -0.305
  227    HB3  ALA  30          3HB       ALA  30  -5.396   0.696  -1.694
  228    H    LYS  31           H        LYS  31  -7.763  -0.690   1.092
  229    HA   LYS  31           HA       LYS  31  -9.174   1.132   2.798
  230    HB2  LYS  31          2HB       LYS  31  -8.487  -1.788   3.059
  231    HB3  LYS  31          1HB       LYS  31  -9.333  -0.889   4.310
  232    HG2  LYS  31          2HG       LYS  31 -11.141  -0.368   2.796
  233    HG3  LYS  31          1HG       LYS  31 -10.276  -1.135   1.468
  234    HD2  LYS  31          2HD       LYS  31 -10.526  -3.276   2.430
  235    HD3  LYS  31          1HD       LYS  31 -11.104  -2.599   3.954
  236    HE2  LYS  31          2HE       LYS  31 -12.951  -3.523   2.590
  237    HE3  LYS  31          1HE       LYS  31 -13.120  -1.797   2.877
  238    HZ1  LYS  31          1HZ       LYS  31 -12.373  -1.351   0.653
  239    HZ2  LYS  31          2HZ       LYS  31 -13.644  -2.427   0.601
  240    HZ3  LYS  31          3HZ       LYS  31 -12.085  -2.981   0.342
  241    H    TYR  32           H        TYR  32  -6.062  -0.288   2.582
  242    HA   TYR  32           HA       TYR  32  -4.930   1.784   4.008
  243    HB2  TYR  32          2HB       TYR  32  -3.816   0.402   5.832
  244    HB3  TYR  32          1HB       TYR  32  -5.511   0.762   6.074
  245    HD1  TYR  32          1HD       TYR  32  -7.154  -1.008   6.117
  246    HD2  TYR  32          2HD       TYR  32  -3.059  -1.895   5.389
  247    HE1  TYR  32          1HE       TYR  32  -7.590  -3.364   6.599
  248    HE2  TYR  32          2HE       TYR  32  -3.487  -4.261   5.852
  249    HH   TYR  32           HH       TYR  32  -5.052  -5.659   6.984
  250    H    GLY  33           H        GLY  33  -2.546   1.404   4.262
  251    HA2  GLY  33          2HA       GLY  33  -1.562  -0.452   2.250
  252    HA3  GLY  33          1HA       GLY  33  -1.118   1.259   2.169
  253    H    SER  34           H        SER  34   0.442  -1.243   2.803
  254    HA   SER  34           HA       SER  34   1.682  -0.129   5.158
  255    HB2  SER  34          2HB       SER  34   0.065  -1.866   5.986
  256    HB3  SER  34          1HB       SER  34   0.912  -3.068   5.018
  257    HG   SER  34           HG       SER  34   1.469  -2.239   7.455
  258    H    CYS  35           H        CYS  35   3.635  -1.833   5.556
  259    HA   CYS  35           HA       CYS  35   5.059  -1.632   3.001
  260    HB2  CYS  35          2HB       CYS  35   5.834  -0.380   5.145
  261    HB3  CYS  35          1HB       CYS  35   6.323  -1.989   5.683
  262    H    SER  36           H        SER  36   5.722  -3.459   2.063
  263    HA   SER  36           HA       SER  36   6.163  -5.798   3.686
  264    HB2  SER  36          2HB       SER  36   3.778  -5.936   2.913
  265    HB3  SER  36          1HB       SER  36   4.326  -5.744   1.254
  266    HG   SER  36           HG       SER  36   5.025  -7.895   2.990
  267    H    HIS  37           H        HIS  37   8.006  -6.675   2.994
  268    HA   HIS  37           HA       HIS  37   9.856  -7.147   1.773
  269    HB2  HIS  37          2HB       HIS  37   8.165  -6.295  -0.602
  270    HB3  HIS  37          1HB       HIS  37   9.735  -7.076  -0.724
  271    HD1  HIS  37          1HD       HIS  37   6.132  -7.824   0.319
  272    HD2  HIS  37          2HD       HIS  37   9.692  -9.801  -0.535
  273    HE1  HIS  37          1HE       HIS  37   5.546 -10.248   0.137
  274    H    GLY  38           H        GLY  38   9.018  -4.304   2.680
  275    HA2  GLY  38          2HA       GLY  38  10.268  -2.372   2.857
  276    HA3  GLY  38          1HA       GLY  38  11.358  -2.988   1.619
  277    H    ASP  39           H        ASP  39   8.043  -3.141   0.852
  278    HA   ASP  39           HA       ASP  39   8.199  -0.634  -0.646
  279    HB2  ASP  39          2HB       ASP  39   7.471  -3.340  -1.601
  280    HB3  ASP  39          1HB       ASP  39   6.834  -1.923  -2.432
  281    H    CYS  40           H        CYS  40   6.026  -0.117  -1.562
  282    HA   CYS  40           HA       CYS  40   4.154  -0.093   0.632
  283    HB2  CYS  40          2HB       CYS  40   4.654   1.992  -0.501
  284    HB3  CYS  40          1HB       CYS  40   4.179   1.297  -2.044
  285    H    TYR  41           H        TYR  41   2.695  -1.593   0.789
  286    HA   TYR  41           HA       TYR  41   1.624  -2.801  -1.639
  287    HB2  TYR  41          2HB       TYR  41   2.149  -3.970   1.092
  288    HB3  TYR  41          1HB       TYR  41   0.928  -4.676   0.043
  289    HD1  TYR  41          1HD       TYR  41   1.852  -6.758  -0.533
  290    HD2  TYR  41          2HD       TYR  41   4.256  -3.281  -0.915
  291    HE1  TYR  41          1HE       TYR  41   3.556  -8.070  -1.701
  292    HE2  TYR  41          2HE       TYR  41   5.967  -4.581  -2.086
  293    HH   TYR  41           HH       TYR  41   6.702  -6.857  -2.339
  294    H    CYS  42           H        CYS  42  -0.308  -2.225  -2.086
  295    HA   CYS  42           HA       CYS  42  -1.916  -0.787  -0.161
  296    HB2  CYS  42          2HB       CYS  42  -2.538  -1.504  -3.035
  297    HB3  CYS  42          1HB       CYS  42  -3.382  -0.323  -2.050
  298    H    TYR  43           H        TYR  43  -3.526  -1.723   0.990
  299    HA   TYR  43           HA       TYR  43  -4.224  -4.442   0.248
  300    HB2  TYR  43          2HB       TYR  43  -4.379  -3.052   2.923
  301    HB3  TYR  43          1HB       TYR  43  -5.030  -4.659   2.613
  302    HD1  TYR  43          1HD       TYR  43  -1.925  -2.672   2.760
  303    HD2  TYR  43          2HD       TYR  43  -3.591  -6.569   2.522
  304    HE1  TYR  43          1HE       TYR  43   0.273  -3.620   3.177
  305    HE2  TYR  43          2HE       TYR  43  -1.378  -7.540   2.955
  306    HH   TYR  43           HH       TYR  43   1.015  -6.880   2.703
  307    H    TYR  44           H        TYR  44  -5.979  -4.805  -0.596
  308    HA   TYR  44           HA       TYR  44  -8.225  -2.934  -0.358
  309    HB2  TYR  44          2HB       TYR  44  -7.635  -4.981  -2.522
  310    HB3  TYR  44          1HB       TYR  44  -8.954  -3.818  -2.523
  311    HD1  TYR  44          1HD       TYR  44  -5.579  -4.449  -3.501
  312    HD2  TYR  44          2HD       TYR  44  -8.315  -1.338  -2.579
  313    HE1  TYR  44          1HE       TYR  44  -4.134  -2.832  -4.663
  314    HE2  TYR  44          2HE       TYR  44  -6.890   0.272  -3.740
  315    HH   TYR  44           HH       TYR  44  -4.463  -0.450  -5.819
  316    H    HIS  45           H        HIS  45 -10.258  -4.468  -1.020
  317    HA   HIS  45           HA       HIS  45 -10.094  -6.845   0.686
  318    HB2  HIS  45          2HB       HIS  45 -11.462  -5.056   1.728
  319    HB3  HIS  45          1HB       HIS  45 -12.460  -4.988   0.284
  320    HD1  HIS  45          1HD       HIS  45 -14.679  -6.041   0.865
  321    HD2  HIS  45          2HD       HIS  45 -11.463  -8.024   2.563
  322    HE1  HIS  45          1HE       HIS  45 -15.650  -7.984   2.116
  323    H    CYS  46           H        CYS  46 -10.812  -8.662  -0.272
  324    HA   CYS  46           HA       CYS  46 -11.413  -8.485  -3.048
  325    HB2  CYS  46          2HB       CYS  46 -11.124 -10.846  -1.181
  326    HB3  CYS  46          1HB       CYS  46 -11.445 -11.005  -2.906
  Start of MODEL   11
    1    H1   ALA   1           H        ALA   1 -11.439  -8.983   8.851
    2    HA   ALA   1           HA       ALA   1 -13.153  -9.094   6.708
    3    HB1  ALA   1          1HB       ALA   1 -12.446  -7.000   7.755
    4    HB2  ALA   1          2HB       ALA   1 -12.246  -6.950   5.998
    5    HB3  ALA   1          3HB       ALA   1 -10.843  -7.192   7.035
    6    H    LYS   2           H        LYS   2 -12.980  -9.285   4.537
    7    HA   LYS   2           HA       LYS   2 -10.924 -10.943   3.622
    8    HB2  LYS   2          2HB       LYS   2 -12.098 -10.738   1.392
    9    HB3  LYS   2          1HB       LYS   2 -13.054 -11.357   2.730
   10    HG2  LYS   2          2HG       LYS   2 -14.167  -9.190   2.963
   11    HG3  LYS   2          1HG       LYS   2 -13.144  -8.519   1.697
   12    HD2  LYS   2          2HD       LYS   2 -15.356  -9.092   0.841
   13    HD3  LYS   2          1HD       LYS   2 -14.106 -10.064   0.078
   14    HE2  LYS   2          2HE       LYS   2 -15.978 -11.488   0.581
   15    HE3  LYS   2          1HE       LYS   2 -14.669 -11.917   1.665
   16    HZ1  LYS   2          1HZ       LYS   2 -16.725 -11.822   2.849
   17    HZ2  LYS   2          2HZ       LYS   2 -17.042 -10.271   2.309
   18    HZ3  LYS   2          3HZ       LYS   2 -15.780 -10.536   3.391
   19    H    HIS   3           H        HIS   3  -8.986 -10.068   3.547
   20    HA   HIS   3           HA       HIS   3  -8.696  -7.555   2.119
   21    HB2  HIS   3          2HB       HIS   3  -6.836  -8.888   4.085
   22    HB3  HIS   3          1HB       HIS   3  -6.392  -7.489   3.114
   23    HD1  HIS   3          1HD       HIS   3  -7.104  -7.923   6.426
   24    HD2  HIS   3          2HD       HIS   3  -8.934  -5.625   3.488
   25    HE1  HIS   3          1HE       HIS   3  -8.310  -6.077   7.636
   26    H    CYS   4           H        CYS   4  -7.737  -7.383   0.329
   27    HA   CYS   4           HA       CYS   4  -6.316  -9.676  -0.785
   28    HB2  CYS   4          2HB       CYS   4  -7.976  -7.529  -2.164
   29    HB3  CYS   4          1HB       CYS   4  -7.102  -8.804  -3.001
   30    H    GLY   5           H        GLY   5  -4.262  -9.160  -0.317
   31    HA2  GLY   5          2HA       GLY   5  -3.334  -6.430  -0.514
   32    HA3  GLY   5          1HA       GLY   5  -2.416  -7.821   0.044
   33    H    LYS   6           H        LYS   6  -2.583  -5.612  -2.265
   34    HA   LYS   6           HA       LYS   6  -1.915  -7.227  -4.546
   35    HB2  LYS   6          2HB       LYS   6  -3.018  -5.061  -4.822
   36    HB3  LYS   6          1HB       LYS   6  -1.640  -4.258  -4.064
   37    HG2  LYS   6          2HG       LYS   6  -0.222  -4.969  -5.922
   38    HG3  LYS   6          1HG       LYS   6  -1.600  -5.784  -6.656
   39    HD2  LYS   6          2HD       LYS   6  -1.244  -3.642  -7.735
   40    HD3  LYS   6          1HD       LYS   6  -2.757  -3.615  -6.834
   41    HE2  LYS   6          2HE       LYS   6  -1.680  -2.390  -5.024
   42    HE3  LYS   6          1HE       LYS   6  -0.132  -2.462  -5.860
   43    HZ1  LYS   6          1HZ       LYS   6  -1.123  -1.166  -7.657
   44    HZ2  LYS   6          2HZ       LYS   6  -1.203  -0.326  -6.229
   45    HZ3  LYS   6          3HZ       LYS   6  -2.579  -1.094  -6.833
   46    H    HIS   7           H        HIS   7   0.080  -7.741  -5.198
   47    HA   HIS   7           HA       HIS   7   2.132  -7.543  -3.209
   48    HB2  HIS   7          2HB       HIS   7   1.592  -9.601  -4.654
   49    HB3  HIS   7          1HB       HIS   7   2.401  -8.748  -5.961
   50    HD1  HIS   7          1HD       HIS   7   3.050 -11.046  -3.252
   51    HD2  HIS   7          2HD       HIS   7   5.183  -8.083  -5.236
   52    HE1  HIS   7          1HE       HIS   7   5.487 -11.453  -2.708
   53    H    SER   8           H        SER   8   3.651  -6.073  -3.163
   54    HA   SER   8           HA       SER   8   3.742  -3.836  -4.770
   55    HB2  SER   8          2HB       SER   8   4.619  -3.782  -2.535
   56    HB3  SER   8          1HB       SER   8   5.803  -5.027  -2.924
   57    HG   SER   8           HG       SER   8   7.082  -3.469  -3.394
   58    H    LYS   9           H        LYS   9   4.811  -3.274  -6.487
   59    HA   LYS   9           HA       LYS   9   6.433  -5.212  -7.972
   60    HB2  LYS   9          2HB       LYS   9   5.198  -2.555  -8.702
   61    HB3  LYS   9          1HB       LYS   9   6.180  -3.529  -9.783
   62    HG2  LYS   9          2HG       LYS   9   4.539  -5.196  -9.942
   63    HG3  LYS   9          1HG       LYS   9   3.658  -4.576  -8.544
   64    HD2  LYS   9          2HD       LYS   9   2.556  -4.010 -10.696
   65    HD3  LYS   9          1HD       LYS   9   3.026  -2.585  -9.776
   66    HE2  LYS   9          2HE       LYS   9   5.044  -2.384 -11.180
   67    HE3  LYS   9          1HE       LYS   9   4.503  -3.765 -12.130
   68    HZ1  LYS   9          1HZ       LYS   9   3.930  -1.684 -13.177
   69    HZ2  LYS   9          2HZ       LYS   9   3.088  -1.180 -11.822
   70    HZ3  LYS   9          3HZ       LYS   9   2.513  -2.483 -12.723
   71    H    SER  10           H        SER  10   6.799  -2.971  -5.676
   72    HA   SER  10           HA       SER  10   8.367  -1.583  -4.871
   73    HB2  SER  10          2HB       SER  10  10.214  -2.745  -6.991
   74    HB3  SER  10          1HB       SER  10  10.703  -1.920  -5.514
   75    HG   SER  10           HG       SER  10   9.432  -3.757  -4.438
   76    H    TRP  11           H        TRP  11  10.250   0.084  -5.974
   77    HA   TRP  11           HA       TRP  11  10.604   1.964  -7.117
   78    HB2  TRP  11          2HB       TRP  11   9.079   0.556  -9.304
   79    HB3  TRP  11          1HB       TRP  11  10.198   1.907  -9.527
   80    HD1  TRP  11           HD       TRP  11  10.081  -1.758  -9.641
   81    HE1  TRP  11          1HE       TRP  11  12.439  -2.782  -9.634
   82    HE3  TRP  11          3HE       TRP  11  12.737   2.371  -8.289
   83    HZ2  TRP  11          2HZ       TRP  11  15.089  -1.942  -9.114
   84    HZ3  TRP  11          3HZ       TRP  11  15.189   2.181  -8.053
   85    HH2  TRP  11           HH       TRP  11  16.328   0.069  -8.458
   86    H    ASN  12           H        ASN  12   8.258   1.777  -5.524
   87    HA   ASN  12           HA       ASN  12   6.369   3.660  -6.795
   88    HB2  ASN  12          2HB       ASN  12   5.462   1.497  -5.870
   89    HB3  ASN  12          1HB       ASN  12   6.070   1.957  -4.290
   90   HD21  ASN  12          1HD2      ASN  12   4.029   1.859  -3.381
   91   HD22  ASN  12          2HD2      ASN  12   2.795   3.015  -3.697
   92    H    GLY  13           H        GLY  13   9.023   4.315  -5.788
   93    HA2  GLY  13          2HA       GLY  13   9.865   6.175  -4.684
   94    HA3  GLY  13          1HA       GLY  13   8.317   6.355  -3.852
   95    H    LYS  14           H        LYS  14   9.889   6.615  -1.978
   96    HA   LYS  14           HA       LYS  14  10.893   4.066  -1.093
   97    HB2  LYS  14          2HB       LYS  14  12.238   6.121  -0.631
   98    HB3  LYS  14          1HB       LYS  14  10.902   6.698   0.372
   99    HG2  LYS  14          2HG       LYS  14  12.755   5.741   1.689
  100    HG3  LYS  14          1HG       LYS  14  11.215   4.926   1.949
  101    HD2  LYS  14          2HD       LYS  14  11.919   3.142   0.398
  102    HD3  LYS  14          1HD       LYS  14  13.469   3.948   0.174
  103    HE2  LYS  14          2HE       LYS  14  12.385   2.920   2.795
  104    HE3  LYS  14          1HE       LYS  14  13.536   2.060   1.783
  105    HZ1  LYS  14          1HZ       LYS  14  15.128   3.856   2.143
  106    HZ2  LYS  14          2HZ       LYS  14  14.600   3.232   3.610
  107    HZ3  LYS  14          3HZ       LYS  14  14.019   4.703   3.081
  108    H    CYS  15           H        CYS  15   9.942   2.831   0.305
  109    HA   CYS  15           HA       CYS  15   7.212   3.449   0.912
  110    HB2  CYS  15          2HB       CYS  15   7.798   1.245   0.040
  111    HB3  CYS  15          1HB       CYS  15   8.809   0.956   1.451
  112    H    PHE  16           H        PHE  16   6.617   4.315   2.665
  113    HA   PHE  16           HA       PHE  16   8.016   3.785   5.161
  114    HB2  PHE  16          2HB       PHE  16   6.695   6.315   4.157
  115    HB3  PHE  16          1HB       PHE  16   7.091   6.085   5.859
  116    HD1  PHE  16          1HD       PHE  16   9.574   5.649   6.393
  117    HD2  PHE  16          2HD       PHE  16   8.237   7.243   2.670
  118    HE1  PHE  16          1HE       PHE  16  11.807   6.565   5.975
  119    HE2  PHE  16          2HE       PHE  16  10.457   8.156   2.260
  120    HZ   PHE  16           HZ       PHE  16  12.255   7.824   3.903
  121    H    HIS  17           H        HIS  17   6.519   3.522   6.924
  122    HA   HIS  17           HA       HIS  17   4.461   1.801   6.133
  123    HB2  HIS  17          2HB       HIS  17   5.070   2.896   8.871
  124    HB3  HIS  17          1HB       HIS  17   3.839   1.677   8.566
  125    HD1  HIS  17          1HD       HIS  17   4.639  -0.749   8.340
  126    HD2  HIS  17          2HD       HIS  17   7.752   2.017   8.300
  127    HE1  HIS  17          1HE       HIS  17   6.762  -2.088   8.407
  128    H    LYS  18           H        LYS  18   3.731   4.617   8.218
  129    HA   LYS  18           HA       LYS  18   1.009   4.337   7.364
  130    HB2  LYS  18          2HB       LYS  18   0.400   6.041   8.916
  131    HB3  LYS  18          1HB       LYS  18   1.600   5.029   9.697
  132    HG2  LYS  18          2HG       LYS  18   3.304   6.712   9.257
  133    HG3  LYS  18          1HG       LYS  18   2.112   7.701   8.434
  134    HD2  LYS  18          2HD       LYS  18   2.365   8.559  10.648
  135    HD3  LYS  18          1HD       LYS  18   0.791   7.792  10.532
  136    HE2  LYS  18          2HE       LYS  18   1.634   5.811  11.658
  137    HE3  LYS  18          1HE       LYS  18   3.250   6.512  11.736
  138    HZ1  LYS  18          1HZ       LYS  18   0.831   7.612  13.063
  139    HZ2  LYS  18          2HZ       LYS  18   2.385   8.254  13.161
  140    HZ3  LYS  18          3HZ       LYS  18   2.064   6.751  13.829
  141    H    LYS  19           H        LYS  19   3.699   6.099   6.321
  142    HA   LYS  19           HA       LYS  19   2.227   8.152   5.024
  143    HB2  LYS  19          2HB       LYS  19   5.064   7.238   4.653
  144    HB3  LYS  19          1HB       LYS  19   4.367   8.586   3.763
  145    HG2  LYS  19          2HG       LYS  19   3.928   9.725   5.900
  146    HG3  LYS  19          1HG       LYS  19   4.709   8.397   6.755
  147    HD2  LYS  19          2HD       LYS  19   6.786   8.845   5.534
  148    HD3  LYS  19          1HD       LYS  19   5.999  10.176   4.687
  149    HE2  LYS  19          2HE       LYS  19   7.322  11.064   6.506
  150    HE3  LYS  19          1HE       LYS  19   5.616  11.286   6.862
  151    HZ1  LYS  19          1HZ       LYS  19   6.908  10.500   8.769
  152    HZ2  LYS  19          2HZ       LYS  19   7.299   9.093   7.967
  153    HZ3  LYS  19          3HZ       LYS  19   5.686   9.422   8.371
  154    H    CYS  20           H        CYS  20   3.565   5.020   3.887
  155    HA   CYS  20           HA       CYS  20   2.506   5.588   1.299
  156    HB2  CYS  20          2HB       CYS  20   4.433   3.964   1.645
  157    HB3  CYS  20          1HB       CYS  20   3.264   2.829   2.316
  158    H    ASN  21           H        ASN  21   1.385   4.192   4.255
  159    HA   ASN  21           HA       ASN  21  -0.935   2.954   3.456
  160    HB2  ASN  21          2HB       ASN  21  -0.227   2.995   5.788
  161    HB3  ASN  21          1HB       ASN  21  -0.509   4.731   5.861
  162   HD21  ASN  21          1HD2      ASN  21  -2.616   5.494   6.141
  163   HD22  ASN  21          2HD2      ASN  21  -3.927   4.433   6.442
  164    H    HIS  22           H        HIS  22  -0.677   6.448   4.361
  165    HA   HIS  22           HA       HIS  22  -3.294   6.926   3.423
  166    HB2  HIS  22          2HB       HIS  22  -2.902   9.341   3.690
  167    HB3  HIS  22          1HB       HIS  22  -2.381   8.453   5.106
  168    HD1  HIS  22          1HD       HIS  22  -0.980  10.411   2.153
  169    HD2  HIS  22          2HD       HIS  22   0.203   8.727   5.751
  170    HE1  HIS  22          1HE       HIS  22   1.326  11.293   2.576
  171    H    TRP  23           H        TRP  23  -0.125   7.226   1.972
  172    HA   TRP  23           HA       TRP  23  -0.795   8.590  -0.334
  173    HB2  TRP  23          2HB       TRP  23   1.534   8.074   0.277
  174    HB3  TRP  23          1HB       TRP  23   1.222   6.366  -0.027
  175    HD1  TRP  23           HD       TRP  23   1.354   5.518  -2.504
  176    HE1  TRP  23          1HE       TRP  23   2.025   6.610  -4.720
  177    HE3  TRP  23          3HE       TRP  23   1.440  10.402  -0.992
  178    HZ2  TRP  23          2HZ       TRP  23   2.540   9.212  -5.705
  179    HZ3  TRP  23          3HZ       TRP  23   2.033  12.132  -2.640
  180    HH2  TRP  23           HH       TRP  23   2.572  11.546  -4.943
  181    H    CYS  24           H        CYS  24  -0.647   5.033   0.087
  182    HA   CYS  24           HA       CYS  24  -1.629   4.529  -2.510
  183    HB2  CYS  24          2HB       CYS  24  -0.377   2.835  -1.046
  184    HB3  CYS  24          1HB       CYS  24  -1.881   2.656  -0.173
  185    H    MET  25           H        MET  25  -3.194   4.907   0.613
  186    HA   MET  25           HA       MET  25  -5.741   3.969   0.025
  187    HB2  MET  25          2HB       MET  25  -4.915   4.600   2.277
  188    HB3  MET  25          1HB       MET  25  -4.977   6.289   1.808
  189    HG2  MET  25          2HG       MET  25  -7.387   6.156   1.576
  190    HG3  MET  25          1HG       MET  25  -7.343   4.439   1.973
  191    HE1  MET  25          1HE       MET  25  -9.230   6.458   3.479
  192    HE2  MET  25          2HE       MET  25  -8.996   5.956   5.154
  193    HE3  MET  25          3HE       MET  25  -9.119   4.744   3.878
  194    H    GLU  26           H        GLU  26  -4.217   6.997  -0.748
  195    HA   GLU  26           HA       GLU  26  -6.661   8.099  -1.894
  196    HB2  GLU  26          2HB       GLU  26  -5.288   9.478  -0.420
  197    HB3  GLU  26          1HB       GLU  26  -3.907   9.239  -1.469
  198    HG2  GLU  26          2HG       GLU  26  -5.085  10.438  -3.256
  199    HG3  GLU  26          1HG       GLU  26  -6.432  10.721  -2.150
  200    H    LYS  27           H        LYS  27  -3.381   7.132  -2.813
  201    HA   LYS  27           HA       LYS  27  -3.459   8.158  -5.439
  202    HB2  LYS  27          2HB       LYS  27  -1.413   7.765  -4.049
  203    HB3  LYS  27          1HB       LYS  27  -1.598   6.051  -4.374
  204    HG2  LYS  27          2HG       LYS  27   0.051   6.978  -5.853
  205    HG3  LYS  27          1HG       LYS  27  -1.379   6.527  -6.793
  206    HD2  LYS  27          2HD       LYS  27  -2.128   8.834  -6.804
  207    HD3  LYS  27          1HD       LYS  27  -0.767   9.289  -5.774
  208    HE2  LYS  27          2HE       LYS  27   0.768   8.619  -7.554
  209    HE3  LYS  27          1HE       LYS  27  -0.607   8.202  -8.574
  210    HZ1  LYS  27          1HZ       LYS  27  -1.333  10.481  -8.503
  211    HZ2  LYS  27          2HZ       LYS  27   0.241  10.403  -9.086
  212    HZ3  LYS  27          3HZ       LYS  27  -0.050  10.911  -7.497
  213    H    GLU  28           H        GLU  28  -3.926   4.850  -4.185
  214    HA   GLU  28           HA       GLU  28  -4.770   4.139  -6.916
  215    HB2  GLU  28          2HB       GLU  28  -3.408   2.342  -4.912
  216    HB3  GLU  28          1HB       GLU  28  -3.980   1.856  -6.498
  217    HG2  GLU  28          2HG       GLU  28  -2.386   3.532  -7.473
  218    HG3  GLU  28          1HG       GLU  28  -1.724   3.730  -5.849
  219    H    ASP  29           H        ASP  29  -6.037   5.059  -4.408
  220    HA   ASP  29           HA       ASP  29  -7.762   4.682  -2.987
  221    HB2  ASP  29          2HB       ASP  29  -8.957   4.871  -5.191
  222    HB3  ASP  29          1HB       ASP  29  -8.915   3.119  -5.321
  223    H    ALA  30           H        ALA  30  -6.379   3.433  -1.685
  224    HA   ALA  30           HA       ALA  30  -7.035   0.565  -1.657
  225    HB1  ALA  30          1HB       ALA  30  -4.648   1.984  -0.438
  226    HB2  ALA  30          2HB       ALA  30  -4.634   1.025  -1.905
  227    HB3  ALA  30          3HB       ALA  30  -4.973   0.256  -0.357
  228    H    LYS  31           H        LYS  31  -7.184  -0.389   0.525
  229    HA   LYS  31           HA       LYS  31  -8.811   1.240   2.254
  230    HB2  LYS  31          2HB       LYS  31  -7.669  -1.546   2.587
  231    HB3  LYS  31          1HB       LYS  31  -8.810  -0.788   3.689
  232    HG2  LYS  31          2HG       LYS  31 -10.505  -0.745   1.955
  233    HG3  LYS  31          1HG       LYS  31  -9.349  -1.376   0.790
  234    HD2  LYS  31          2HD       LYS  31 -10.891  -3.109   1.665
  235    HD3  LYS  31          1HD       LYS  31  -9.199  -3.466   1.979
  236    HE2  LYS  31          2HE       LYS  31 -10.631  -3.976   3.901
  237    HE3  LYS  31          1HE       LYS  31  -9.434  -2.732   4.248
  238    HZ1  LYS  31          1HZ       LYS  31 -11.624  -2.234   5.165
  239    HZ2  LYS  31          2HZ       LYS  31 -12.305  -2.220   3.629
  240    HZ3  LYS  31          3HZ       LYS  31 -11.157  -1.057   4.070
  241    H    TYR  32           H        TYR  32  -5.697  -0.382   2.357
  242    HA   TYR  32           HA       TYR  32  -4.517   1.736   3.783
  243    HB2  TYR  32          2HB       TYR  32  -3.805   0.443   5.745
  244    HB3  TYR  32          1HB       TYR  32  -5.553   0.569   5.690
  245    HD1  TYR  32          1HD       TYR  32  -2.675  -1.620   5.625
  246    HD2  TYR  32          2HD       TYR  32  -6.916  -1.484   5.219
  247    HE1  TYR  32          1HE       TYR  32  -2.781  -4.025   5.997
  248    HE2  TYR  32          2HE       TYR  32  -7.031  -3.899   5.584
  249    HH   TYR  32           HH       TYR  32  -5.600  -5.884   5.468
  250    H    GLY  33           H        GLY  33  -2.216   1.389   3.966
  251    HA2  GLY  33          2HA       GLY  33  -1.246  -0.673   2.118
  252    HA3  GLY  33          1HA       GLY  33  -0.601   0.973   2.127
  253    H    SER  34           H        SER  34   0.248  -1.948   2.968
  254    HA   SER  34           HA       SER  34   1.371  -1.101   5.527
  255    HB2  SER  34          2HB       SER  34  -0.156  -3.107   5.604
  256    HB3  SER  34          1HB       SER  34   0.976  -3.916   4.518
  257    HG   SER  34           HG       SER  34   1.686  -4.557   6.367
  258    H    CYS  35           H        CYS  35   3.563  -1.275   5.769
  259    HA   CYS  35           HA       CYS  35   4.984  -1.692   3.249
  260    HB2  CYS  35          2HB       CYS  35   5.113   0.550   4.496
  261    HB3  CYS  35          1HB       CYS  35   6.074  -0.319   5.695
  262    H    SER  36           H        SER  36   6.278  -3.385   3.104
  263    HA   SER  36           HA       SER  36   7.219  -4.583   5.583
  264    HB2  SER  36          2HB       SER  36   5.297  -5.901   4.698
  265    HB3  SER  36          1HB       SER  36   6.200  -6.157   3.204
  266    HG   SER  36           HG       SER  36   6.452  -7.901   4.624
  267    H    HIS  37           H        HIS  37   9.273  -4.262   5.563
  268    HA   HIS  37           HA       HIS  37  11.457  -4.205   5.034
  269    HB2  HIS  37          2HB       HIS  37  10.628  -6.379   3.093
  270    HB3  HIS  37          1HB       HIS  37  12.299  -5.961   3.447
  271    HD1  HIS  37          1HD       HIS  37   9.878  -8.408   4.398
  272    HD2  HIS  37          2HD       HIS  37  12.714  -6.157   6.456
  273    HE1  HIS  37          1HE       HIS  37  10.316  -9.636   6.525
  274    H    GLY  38           H        GLY  38   9.752  -2.322   3.707
  275    HA2  GLY  38          2HA       GLY  38  10.537  -0.508   2.426
  276    HA3  GLY  38          1HA       GLY  38  11.632  -1.601   1.594
  277    H    ASP  39           H        ASP  39   8.716  -3.167   1.661
  278    HA   ASP  39           HA       ASP  39   7.969  -1.967  -0.907
  279    HB2  ASP  39          2HB       ASP  39   7.773  -4.800   0.040
  280    HB3  ASP  39          1HB       ASP  39   6.764  -4.200  -1.259
  281    H    CYS  40           H        CYS  40   5.987  -1.306  -1.231
  282    HA   CYS  40           HA       CYS  40   4.279  -1.171   1.103
  283    HB2  CYS  40          2HB       CYS  40   4.951   0.883  -0.171
  284    HB3  CYS  40          1HB       CYS  40   4.047   0.261  -1.543
  285    H    TYR  41           H        TYR  41   2.897  -2.734   1.257
  286    HA   TYR  41           HA       TYR  41   1.727  -3.889  -1.142
  287    HB2  TYR  41          2HB       TYR  41   1.979  -4.883   1.697
  288    HB3  TYR  41          1HB       TYR  41   0.889  -5.635   0.539
  289    HD1  TYR  41          1HD       TYR  41   4.541  -4.821   1.091
  290    HD2  TYR  41          2HD       TYR  41   1.668  -7.244  -0.941
  291    HE1  TYR  41          1HE       TYR  41   6.323  -6.247   0.259
  292    HE2  TYR  41          2HE       TYR  41   3.475  -8.666  -1.779
  293    HH   TYR  41           HH       TYR  41   5.937  -8.556  -2.201
  294    H    CYS  42           H        CYS  42  -0.034  -2.969  -1.698
  295    HA   CYS  42           HA       CYS  42  -1.654  -1.517   0.204
  296    HB2  CYS  42          2HB       CYS  42  -1.896  -1.883  -2.768
  297    HB3  CYS  42          1HB       CYS  42  -2.946  -0.863  -1.793
  298    H    TYR  43           H        TYR  43  -3.508  -2.200   1.041
  299    HA   TYR  43           HA       TYR  43  -4.460  -4.793   0.131
  300    HB2  TYR  43          2HB       TYR  43  -4.651  -3.453   2.823
  301    HB3  TYR  43          1HB       TYR  43  -5.558  -4.905   2.401
  302    HD1  TYR  43          1HD       TYR  43  -2.111  -3.555   2.705
  303    HD2  TYR  43          2HD       TYR  43  -4.546  -7.031   2.568
  304    HE1  TYR  43          1HE       TYR  43  -0.188  -4.923   3.315
  305    HE2  TYR  43          2HE       TYR  43  -2.632  -8.406   3.186
  306    HH   TYR  43           HH       TYR  43  -0.200  -8.304   3.108
  307    H    TYR  44           H        TYR  44  -6.285  -4.992  -0.725
  308    HA   TYR  44           HA       TYR  44  -8.277  -2.833  -0.574
  309    HB2  TYR  44          2HB       TYR  44  -7.784  -4.750  -2.878
  310    HB3  TYR  44          1HB       TYR  44  -8.851  -3.357  -2.875
  311    HD1  TYR  44          1HD       TYR  44  -7.879  -1.068  -3.015
  312    HD2  TYR  44          2HD       TYR  44  -5.443  -4.532  -3.305
  313    HE1  TYR  44          1HE       TYR  44  -6.081   0.286  -3.963
  314    HE2  TYR  44          2HE       TYR  44  -3.629  -3.183  -4.249
  315    HH   TYR  44           HH       TYR  44  -3.612   0.204  -4.189
  316    H    HIS  45           H        HIS  45 -10.495  -3.925  -1.084
  317    HA   HIS  45           HA       HIS  45 -10.482  -6.658  -0.006
  318    HB2  HIS  45          2HB       HIS  45 -12.814  -6.394   0.637
  319    HB3  HIS  45          1HB       HIS  45 -11.900  -5.051   1.294
  320    HD1  HIS  45          1HD       HIS  45 -14.618  -5.852  -1.244
  321    HD2  HIS  45          2HD       HIS  45 -12.599  -2.555   0.303
  322    HE1  HIS  45          1HE       HIS  45 -15.960  -3.836  -1.917
  323    H    CYS  46           H        CYS  46 -11.691  -8.267  -1.041
  324    HA   CYS  46           HA       CYS  46 -12.467  -7.600  -3.758
  325    HB2  CYS  46          2HB       CYS  46 -11.830 -10.307  -2.559
  326    HB3  CYS  46          1HB       CYS  46 -12.237 -10.000  -4.242
  Start of MODEL   12
    1    H1   ALA   1           H        ALA   1  -9.891 -11.040   7.941
    2    HA   ALA   1           HA       ALA   1 -12.011 -10.782   6.504
    3    HB1  ALA   1          1HB       ALA   1 -10.969  -7.944   6.560
    4    HB2  ALA   1          2HB       ALA   1 -12.481  -8.505   7.275
    5    HB3  ALA   1          3HB       ALA   1 -12.266  -8.540   5.525
    6    H    LYS   2           H        LYS   2 -11.667 -10.640   4.146
    7    HA   LYS   2           HA       LYS   2  -8.965 -11.423   3.597
    8    HB2  LYS   2          2HB       LYS   2 -11.376 -11.365   1.786
    9    HB3  LYS   2          1HB       LYS   2  -9.813 -12.061   1.381
   10    HG2  LYS   2          2HG       LYS   2 -10.080 -13.676   3.224
   11    HG3  LYS   2          1HG       LYS   2 -11.674 -12.995   3.555
   12    HD2  LYS   2          2HD       LYS   2 -12.392 -13.595   1.289
   13    HD3  LYS   2          1HD       LYS   2 -10.794 -14.280   0.984
   14    HE2  LYS   2          2HE       LYS   2 -12.357 -16.045   1.519
   15    HE3  LYS   2          1HE       LYS   2 -11.164 -15.888   2.805
   16    HZ1  LYS   2          1HZ       LYS   2 -13.919 -14.787   2.868
   17    HZ2  LYS   2          2HZ       LYS   2 -12.806 -14.683   4.131
   18    HZ3  LYS   2          3HZ       LYS   2 -13.410 -16.177   3.649
   19    H    HIS   3           H        HIS   3  -7.900  -9.535   3.840
   20    HA   HIS   3           HA       HIS   3  -8.474  -7.391   2.000
   21    HB2  HIS   3          2HB       HIS   3  -6.359  -7.682   4.127
   22    HB3  HIS   3          1HB       HIS   3  -6.475  -6.317   3.024
   23    HD1  HIS   3          1HD       HIS   3  -7.717  -7.444   6.302
   24    HD2  HIS   3          2HD       HIS   3  -8.960  -4.833   3.309
   25    HE1  HIS   3          1HE       HIS   3  -9.415  -5.943   7.359
   26    H    CYS   4           H        CYS   4  -7.798  -7.463   0.098
   27    HA   CYS   4           HA       CYS   4  -5.841  -9.339  -0.721
   28    HB2  CYS   4          2HB       CYS   4  -7.564  -7.359  -2.237
   29    HB3  CYS   4          1HB       CYS   4  -6.571  -8.612  -2.993
   30    H    GLY   5           H        GLY   5  -3.794  -8.753  -0.472
   31    HA2  GLY   5          2HA       GLY   5  -3.007  -5.977  -0.565
   32    HA3  GLY   5          1HA       GLY   5  -1.987  -7.353  -0.160
   33    H    LYS   6           H        LYS   6  -2.424  -5.045  -2.322
   34    HA   LYS   6           HA       LYS   6  -1.782  -6.599  -4.660
   35    HB2  LYS   6          2HB       LYS   6  -3.273  -4.700  -4.858
   36    HB3  LYS   6          1HB       LYS   6  -2.019  -3.621  -4.248
   37    HG2  LYS   6          2HG       LYS   6  -0.731  -3.905  -6.232
   38    HG3  LYS   6          1HG       LYS   6  -1.775  -5.221  -6.781
   39    HD2  LYS   6          2HD       LYS   6  -3.649  -3.667  -6.963
   40    HD3  LYS   6          1HD       LYS   6  -2.620  -2.355  -6.398
   41    HE2  LYS   6          2HE       LYS   6  -1.277  -2.458  -8.350
   42    HE3  LYS   6          1HE       LYS   6  -2.032  -3.969  -8.870
   43    HZ1  LYS   6          1HZ       LYS   6  -2.846  -1.959 -10.044
   44    HZ2  LYS   6          2HZ       LYS   6  -3.516  -1.414  -8.572
   45    HZ3  LYS   6          3HZ       LYS   6  -4.040  -2.850  -9.267
   46    H    HIS   7           H        HIS   7   0.131  -6.900  -5.460
   47    HA   HIS   7           HA       HIS   7   2.335  -6.618  -3.758
   48    HB2  HIS   7          2HB       HIS   7   2.125  -7.583  -6.604
   49    HB3  HIS   7          1HB       HIS   7   3.519  -7.774  -5.551
   50    HD1  HIS   7          1HD       HIS   7   0.501  -9.485  -6.586
   51    HD2  HIS   7          2HD       HIS   7   2.842  -9.378  -3.156
   52    HE1  HIS   7          1HE       HIS   7  -0.131 -11.526  -5.250
   53    H    SER   8           H        SER   8   4.363  -5.741  -4.384
   54    HA   SER   8           HA       SER   8   4.003  -3.167  -5.672
   55    HB2  SER   8          2HB       SER   8   4.745  -3.224  -3.291
   56    HB3  SER   8          1HB       SER   8   6.170  -4.131  -3.785
   57    HG   SER   8           HG       SER   8   5.960  -1.607  -3.617
   58    H    LYS   9           H        LYS   9   4.599  -3.223  -7.698
   59    HA   LYS   9           HA       LYS   9   7.048  -4.657  -8.465
   60    HB2  LYS   9          2HB       LYS   9   5.905  -5.192 -10.640
   61    HB3  LYS   9          1HB       LYS   9   5.249  -6.028  -9.241
   62    HG2  LYS   9          2HG       LYS   9   3.461  -4.285  -9.134
   63    HG3  LYS   9          1HG       LYS   9   4.066  -3.653 -10.663
   64    HD2  LYS   9          2HD       LYS   9   3.119  -6.496 -10.255
   65    HD3  LYS   9          1HD       LYS   9   2.096  -5.202 -10.865
   66    HE2  LYS   9          2HE       LYS   9   4.658  -6.128 -12.170
   67    HE3  LYS   9          1HE       LYS   9   3.047  -6.659 -12.640
   68    HZ1  LYS   9          1HZ       LYS   9   2.495  -4.342 -13.135
   69    HZ2  LYS   9          2HZ       LYS   9   3.768  -4.883 -14.071
   70    HZ3  LYS   9          3HZ       LYS   9   4.062  -3.861 -12.766
   71    H    SER  10           H        SER  10   5.583  -1.723  -8.215
   72    HA   SER  10           HA       SER  10   7.455  -0.564 -10.097
   73    HB2  SER  10          2HB       SER  10   4.488   0.036 -10.175
   74    HB3  SER  10          1HB       SER  10   5.730   0.845 -11.134
   75    HG   SER  10           HG       SER  10   6.034  -1.753 -11.422
   76    H    TRP  11           H        TRP  11   6.825  -0.689  -7.067
   77    HA   TRP  11           HA       TRP  11   6.780   2.211  -6.702
   78    HB2  TRP  11          2HB       TRP  11   5.762   0.126  -4.745
   79    HB3  TRP  11          1HB       TRP  11   5.866   1.849  -4.406
   80    HD1  TRP  11           HD       TRP  11   4.594   3.073  -6.976
   81    HE1  TRP  11          1HE       TRP  11   2.114   2.708  -7.547
   82    HE3  TRP  11          3HE       TRP  11   3.715  -1.094  -4.139
   83    HZ2  TRP  11          2HZ       TRP  11   0.050   0.900  -6.865
   84    HZ3  TRP  11          3HZ       TRP  11   1.472  -2.068  -4.150
   85    HH2  TRP  11           HH       TRP  11  -0.328  -1.088  -5.483
   86    H    ASN  12           H        ASN  12   8.513   3.080  -5.885
   87    HA   ASN  12           HA       ASN  12  10.454   1.351  -4.529
   88    HB2  ASN  12          2HB       ASN  12  12.295   2.321  -5.808
   89    HB3  ASN  12          1HB       ASN  12  11.142   1.578  -6.909
   90   HD21  ASN  12          1HD2      ASN  12   9.868   2.945  -8.231
   91   HD22  ASN  12          2HD2      ASN  12  10.309   4.591  -8.498
   92    H    GLY  13           H        GLY  13  12.314   2.877  -3.669
   93    HA2  GLY  13          2HA       GLY  13  12.840   5.000  -2.751
   94    HA3  GLY  13          1HA       GLY  13  11.111   5.336  -2.647
   95    H    LYS  14           H        LYS  14  11.872   5.863  -0.409
   96    HA   LYS  14           HA       LYS  14  12.349   3.571   1.286
   97    HB2  LYS  14          2HB       LYS  14  13.430   5.738   1.808
   98    HB3  LYS  14          1HB       LYS  14  11.821   6.442   1.997
   99    HG2  LYS  14          2HG       LYS  14  12.897   5.980   4.164
  100    HG3  LYS  14          1HG       LYS  14  11.391   5.097   3.944
  101    HD2  LYS  14          2HD       LYS  14  12.643   3.080   3.373
  102    HD3  LYS  14          1HD       LYS  14  14.162   3.962   3.544
  103    HE2  LYS  14          2HE       LYS  14  13.637   2.598   5.519
  104    HE3  LYS  14          1HE       LYS  14  13.722   4.314   5.898
  105    HZ1  LYS  14          1HZ       LYS  14  11.201   2.800   5.440
  106    HZ2  LYS  14          2HZ       LYS  14  11.317   4.408   5.958
  107    HZ3  LYS  14          3HZ       LYS  14  11.845   3.155   6.941
  108    H    CYS  15           H        CYS  15  10.865   2.547   2.352
  109    HA   CYS  15           HA       CYS  15   8.114   3.215   1.846
  110    HB2  CYS  15          2HB       CYS  15   8.851   0.900   1.648
  111    HB3  CYS  15          1HB       CYS  15   9.337   0.903   3.337
  112    H    PHE  16           H        PHE  16   7.050   4.496   3.091
  113    HA   PHE  16           HA       PHE  16   7.566   4.489   5.964
  114    HB2  PHE  16          2HB       PHE  16   6.404   6.621   4.158
  115    HB3  PHE  16          1HB       PHE  16   6.375   6.725   5.912
  116    HD1  PHE  16          1HD       PHE  16   8.416   7.014   2.879
  117    HD2  PHE  16          2HD       PHE  16   8.427   7.144   7.136
  118    HE1  PHE  16          1HE       PHE  16  10.580   8.128   2.836
  119    HE2  PHE  16          2HE       PHE  16  10.619   8.258   7.084
  120    HZ   PHE  16           HZ       PHE  16  11.696   8.753   4.936
  121    H    HIS  17           H        HIS  17   5.887   3.925   7.202
  122    HA   HIS  17           HA       HIS  17   3.920   2.274   6.051
  123    HB2  HIS  17          2HB       HIS  17   4.936   1.956   8.287
  124    HB3  HIS  17          1HB       HIS  17   4.065   3.367   8.862
  125    HD1  HIS  17          1HD       HIS  17   2.607   2.198  10.566
  126    HD2  HIS  17          2HD       HIS  17   2.400   0.483   6.793
  127    HE1  HIS  17          1HE       HIS  17   0.803   0.433  10.702
  128    H    LYS  18           H        LYS  18   3.658   5.449   7.583
  129    HA   LYS  18           HA       LYS  18   0.851   5.660   7.249
  130    HB2  LYS  18          2HB       LYS  18   2.044   6.919   8.967
  131    HB3  LYS  18          1HB       LYS  18   2.923   7.809   7.730
  132    HG2  LYS  18          2HG       LYS  18   0.843   8.812   6.971
  133    HG3  LYS  18          1HG       LYS  18  -0.047   7.883   8.181
  134    HD2  LYS  18          2HD       LYS  18   1.204   9.019   9.954
  135    HD3  LYS  18          1HD       LYS  18   2.075   9.950   8.734
  136    HE2  LYS  18          2HE       LYS  18   0.247  11.245   9.695
  137    HE3  LYS  18          1HE       LYS  18  -0.013  10.946   7.978
  138    HZ1  LYS  18          1HZ       LYS  18  -1.309   9.441  10.203
  139    HZ2  LYS  18          2HZ       LYS  18  -1.573   9.185   8.558
  140    HZ3  LYS  18          3HZ       LYS  18  -2.026  10.629   9.267
  141    H    LYS  19           H        LYS  19   3.636   6.716   5.372
  142    HA   LYS  19           HA       LYS  19   2.037   8.185   3.537
  143    HB2  LYS  19          2HB       LYS  19   4.857   7.184   3.178
  144    HB3  LYS  19          1HB       LYS  19   4.037   8.311   2.114
  145    HG2  LYS  19          2HG       LYS  19   3.771   9.862   4.026
  146    HG3  LYS  19          1HG       LYS  19   4.763   8.771   4.992
  147    HD2  LYS  19          2HD       LYS  19   6.622   9.076   3.445
  148    HD3  LYS  19          1HD       LYS  19   5.627  10.130   2.439
  149    HE2  LYS  19          2HE       LYS  19   6.492  10.634   5.284
  150    HE3  LYS  19          1HE       LYS  19   7.058  11.472   3.842
  151    HZ1  LYS  19          1HZ       LYS  19   4.280  11.526   4.897
  152    HZ2  LYS  19          2HZ       LYS  19   4.787  12.303   3.500
  153    HZ3  LYS  19          3HZ       LYS  19   5.386  12.789   4.998
  154    H    CYS  20           H        CYS  20   3.244   4.901   3.661
  155    HA   CYS  20           HA       CYS  20   2.422   4.100   1.112
  156    HB2  CYS  20          2HB       CYS  20   3.830   2.692   2.588
  157    HB3  CYS  20          1HB       CYS  20   2.469   2.489   3.685
  158    H    ASN  21           H        ASN  21   0.701   4.226   4.210
  159    HA   ASN  21           HA       ASN  21  -1.754   3.247   3.343
  160    HB2  ASN  21          2HB       ASN  21  -1.317   3.605   5.715
  161    HB3  ASN  21          1HB       ASN  21  -1.186   5.342   5.459
  162   HD21  ASN  21          1HD2      ASN  21  -3.044   6.571   5.342
  163   HD22  ASN  21          2HD2      ASN  21  -4.620   5.937   5.571
  164    H    HIS  22           H        HIS  22  -0.634   6.628   3.426
  165    HA   HIS  22           HA       HIS  22  -2.965   7.676   2.208
  166    HB2  HIS  22          2HB       HIS  22  -0.196   8.834   2.485
  167    HB3  HIS  22          1HB       HIS  22  -1.486   9.690   1.656
  168    HD1  HIS  22          1HD       HIS  22  -3.466  10.582   3.165
  169    HD2  HIS  22          2HD       HIS  22  -0.326   8.813   5.226
  170    HE1  HIS  22          1HE       HIS  22  -3.757  11.258   5.568
  171    H    TRP  23           H        TRP  23   0.089   6.582   0.847
  172    HA   TRP  23           HA       TRP  23  -0.245   7.375  -1.787
  173    HB2  TRP  23          2HB       TRP  23   1.861   6.469  -0.985
  174    HB3  TRP  23          1HB       TRP  23   1.108   4.915  -0.663
  175    HD1  TRP  23           HD       TRP  23   1.370   3.153  -2.524
  176    HE1  TRP  23          1HE       TRP  23   2.074   3.188  -5.000
  177    HE3  TRP  23          3HE       TRP  23   1.660   8.209  -3.213
  178    HZ2  TRP  23          2HZ       TRP  23   2.654   5.110  -6.981
  179    HZ3  TRP  23          3HZ       TRP  23   2.281   9.056  -5.435
  180    HH2  TRP  23           HH       TRP  23   2.768   7.534  -7.270
  181    H    CYS  24           H        CYS  24  -1.010   4.226  -0.366
  182    HA   CYS  24           HA       CYS  24  -2.279   3.189  -2.613
  183    HB2  CYS  24          2HB       CYS  24  -2.598   2.518   0.306
  184    HB3  CYS  24          1HB       CYS  24  -3.204   1.524  -1.016
  185    H    MET  25           H        MET  25  -3.518   5.017   0.102
  186    HA   MET  25           HA       MET  25  -6.275   4.820  -0.331
  187    HB2  MET  25          2HB       MET  25  -5.207   5.707   1.700
  188    HB3  MET  25          1HB       MET  25  -4.641   7.093   0.790
  189    HG2  MET  25          2HG       MET  25  -6.950   7.790   0.431
  190    HG3  MET  25          1HG       MET  25  -7.497   6.388   1.355
  191    HE1  MET  25          1HE       MET  25  -8.406   9.318   2.108
  192    HE2  MET  25          2HE       MET  25  -8.235   9.252   3.865
  193    HE3  MET  25          3HE       MET  25  -8.877   7.864   2.989
  194    H    GLU  26           H        GLU  26  -3.870   7.093  -1.551
  195    HA   GLU  26           HA       GLU  26  -5.769   8.633  -3.033
  196    HB2  GLU  26          2HB       GLU  26  -3.648   9.537  -2.076
  197    HB3  GLU  26          1HB       GLU  26  -2.754   8.573  -3.241
  198    HG2  GLU  26          2HG       GLU  26  -2.912  10.855  -3.995
  199    HG3  GLU  26          1HG       GLU  26  -3.845   9.805  -5.064
  200    H    LYS  27           H        LYS  27  -3.317   6.221  -3.779
  201    HA   LYS  27           HA       LYS  27  -3.318   6.328  -6.546
  202    HB2  LYS  27          2HB       LYS  27  -1.645   5.154  -5.089
  203    HB3  LYS  27          1HB       LYS  27  -2.819   3.877  -4.848
  204    HG2  LYS  27          2HG       LYS  27  -1.277   3.145  -6.507
  205    HG3  LYS  27          1HG       LYS  27  -2.801   3.504  -7.321
  206    HD2  LYS  27          2HD       LYS  27  -1.922   5.692  -7.991
  207    HD3  LYS  27          1HD       LYS  27  -0.395   5.313  -7.197
  208    HE2  LYS  27          2HE       LYS  27  -0.169   4.917  -9.560
  209    HE3  LYS  27          1HE       LYS  27  -0.133   3.377  -8.710
  210    HZ1  LYS  27          1HZ       LYS  27  -2.517   4.493 -10.096
  211    HZ2  LYS  27          2HZ       LYS  27  -2.407   2.972  -9.364
  212    HZ3  LYS  27          3HZ       LYS  27  -1.493   3.323 -10.726
  213    H    GLU  28           H        GLU  28  -5.084   3.946  -4.496
  214    HA   GLU  28           HA       GLU  28  -6.975   3.667  -6.719
  215    HB2  GLU  28          2HB       GLU  28  -5.490   1.456  -5.386
  216    HB3  GLU  28          1HB       GLU  28  -6.951   1.140  -6.283
  217    HG2  GLU  28          2HG       GLU  28  -5.776   2.293  -8.227
  218    HG3  GLU  28          1HG       GLU  28  -4.318   2.211  -7.250
  219    H    ASP  29           H        ASP  29  -6.929   4.736  -3.862
  220    HA   ASP  29           HA       ASP  29  -8.161   4.769  -2.001
  221    HB2  ASP  29          2HB       ASP  29  -9.983   5.382  -3.561
  222    HB3  ASP  29          1HB       ASP  29 -10.352   3.683  -3.812
  223    H    ALA  30           H        ALA  30  -6.731   3.212  -1.248
  224    HA   ALA  30           HA       ALA  30  -7.819   0.523  -0.917
  225    HB1  ALA  30          1HB       ALA  30  -5.530   0.731  -1.717
  226    HB2  ALA  30          2HB       ALA  30  -5.584  -0.059  -0.135
  227    HB3  ALA  30          3HB       ALA  30  -5.099   1.639  -0.265
  228    H    LYS  31           H        LYS  31  -7.732  -0.387   1.241
  229    HA   LYS  31           HA       LYS  31  -8.824   1.553   3.066
  230    HB2  LYS  31          2HB       LYS  31  -8.335  -1.398   3.490
  231    HB3  LYS  31          1HB       LYS  31  -9.048  -0.346   4.702
  232    HG2  LYS  31          2HG       LYS  31 -10.824   0.207   2.985
  233    HG3  LYS  31          1HG       LYS  31 -10.158  -1.112   2.028
  234    HD2  LYS  31          2HD       LYS  31 -10.598  -2.686   3.819
  235    HD3  LYS  31          1HD       LYS  31 -11.192  -1.384   4.847
  236    HE2  LYS  31          2HE       LYS  31 -12.413  -2.257   2.228
  237    HE3  LYS  31          1HE       LYS  31 -13.017  -2.673   3.828
  238    HZ1  LYS  31          1HZ       LYS  31 -13.521  -0.309   4.207
  239    HZ2  LYS  31          2HZ       LYS  31 -14.223  -0.828   2.765
  240    HZ3  LYS  31          3HZ       LYS  31 -12.842   0.086   2.723
  241    H    TYR  32           H        TYR  32  -5.846  -0.211   2.787
  242    HA   TYR  32           HA       TYR  32  -4.538   1.785   4.292
  243    HB2  TYR  32          2HB       TYR  32  -3.567   0.330   6.018
  244    HB3  TYR  32          1HB       TYR  32  -5.311   0.449   6.204
  245    HD1  TYR  32          1HD       TYR  32  -2.473  -1.742   5.729
  246    HD2  TYR  32          2HD       TYR  32  -6.719  -1.550   5.540
  247    HE1  TYR  32          1HE       TYR  32  -2.578  -4.190   5.829
  248    HE2  TYR  32          2HE       TYR  32  -6.834  -4.013   5.637
  249    HH   TYR  32           HH       TYR  32  -4.140  -5.942   6.442
  250    H    GLY  33           H        GLY  33  -2.220   1.339   4.404
  251    HA2  GLY  33          2HA       GLY  33  -1.320  -0.434   2.248
  252    HA3  GLY  33          1HA       GLY  33  -0.635   1.185   2.501
  253    H    SER  34           H        SER  34   0.096  -1.830   2.880
  254    HA   SER  34           HA       SER  34   1.106  -1.588   5.612
  255    HB2  SER  34          2HB       SER  34  -0.317  -3.549   5.189
  256    HB3  SER  34          1HB       SER  34   0.724  -4.017   3.851
  257    HG   SER  34           HG       SER  34   1.585  -3.790   6.542
  258    H    CYS  35           H        CYS  35   3.280  -1.867   5.984
  259    HA   CYS  35           HA       CYS  35   4.924  -1.660   3.583
  260    HB2  CYS  35          2HB       CYS  35   5.067   0.194   5.306
  261    HB3  CYS  35          1HB       CYS  35   5.722  -0.995   6.428
  262    H    SER  36           H        SER  36   5.483  -3.594   3.012
  263    HA   SER  36           HA       SER  36   6.150  -5.581   5.060
  264    HB2  SER  36          2HB       SER  36   4.321  -6.241   3.565
  265    HB3  SER  36          1HB       SER  36   5.335  -5.938   2.163
  266    HG   SER  36           HG       SER  36   5.183  -8.156   2.758
  267    H    HIS  37           H        HIS  37   8.234  -5.549   5.450
  268    HA   HIS  37           HA       HIS  37  10.458  -5.683   5.244
  269    HB2  HIS  37          2HB       HIS  37   9.676  -6.992   2.645
  270    HB3  HIS  37          1HB       HIS  37  11.345  -6.889   3.188
  271    HD1  HIS  37          1HD       HIS  37  12.121  -8.772   4.666
  272    HD2  HIS  37          2HD       HIS  37   7.981  -8.464   4.508
  273    HE1  HIS  37          1HE       HIS  37  11.234 -10.761   5.928
  274    H    GLY  38           H        GLY  38   9.168  -3.254   4.332
  275    HA2  GLY  38          2HA       GLY  38  10.266  -1.260   3.781
  276    HA3  GLY  38          1HA       GLY  38  11.495  -2.197   2.943
  277    H    ASP  39           H        ASP  39   8.288  -3.101   2.162
  278    HA   ASP  39           HA       ASP  39   8.277  -1.220  -0.080
  279    HB2  ASP  39          2HB       ASP  39   7.734  -4.164  -0.199
  280    HB3  ASP  39          1HB       ASP  39   7.106  -3.068  -1.412
  281    H    CYS  40           H        CYS  40   6.316  -0.637  -0.904
  282    HA   CYS  40           HA       CYS  40   4.258  -0.541   1.127
  283    HB2  CYS  40          2HB       CYS  40   5.023   1.523  -0.019
  284    HB3  CYS  40          1HB       CYS  40   4.474   0.858  -1.550
  285    H    TYR  41           H        TYR  41   2.572  -1.827   1.078
  286    HA   TYR  41           HA       TYR  41   1.724  -3.058  -1.450
  287    HB2  TYR  41          2HB       TYR  41   1.848  -4.226   1.331
  288    HB3  TYR  41          1HB       TYR  41   0.864  -4.934   0.059
  289    HD1  TYR  41          1HD       TYR  41   1.793  -6.538  -1.331
  290    HD2  TYR  41          2HD       TYR  41   4.450  -3.998   0.843
  291    HE1  TYR  41          1HE       TYR  41   3.713  -7.896  -2.037
  292    HE2  TYR  41          2HE       TYR  41   6.314  -5.355   0.148
  293    HH   TYR  41           HH       TYR  41   6.745  -7.646  -0.593
  294    H    CYS  42           H        CYS  42  -0.268  -2.534  -1.985
  295    HA   CYS  42           HA       CYS  42  -1.880  -0.970  -0.136
  296    HB2  CYS  42          2HB       CYS  42  -2.237  -1.549  -3.076
  297    HB3  CYS  42          1HB       CYS  42  -3.177  -0.395  -2.134
  298    H    TYR  43           H        TYR  43  -3.636  -1.783   0.920
  299    HA   TYR  43           HA       TYR  43  -4.530  -4.402   0.020
  300    HB2  TYR  43          2HB       TYR  43  -4.464  -3.206   2.770
  301    HB3  TYR  43          1HB       TYR  43  -5.459  -4.612   2.397
  302    HD1  TYR  43          1HD       TYR  43  -4.507  -6.728   2.672
  303    HD2  TYR  43          2HD       TYR  43  -1.954  -3.408   1.968
  304    HE1  TYR  43          1HE       TYR  43  -2.556  -8.186   2.893
  305    HE2  TYR  43          2HE       TYR  43  -0.021  -4.822   2.181
  306    HH   TYR  43           HH       TYR  43   0.606  -6.971   3.180
  307    H    TYR  44           H        TYR  44  -6.339  -4.725  -0.758
  308    HA   TYR  44           HA       TYR  44  -8.513  -2.759  -0.432
  309    HB2  TYR  44          2HB       TYR  44  -8.108  -4.662  -2.755
  310    HB3  TYR  44          1HB       TYR  44  -9.228  -3.312  -2.658
  311    HD1  TYR  44          1HD       TYR  44  -8.250  -0.966  -2.586
  312    HD2  TYR  44          2HD       TYR  44  -5.964  -4.387  -3.632
  313    HE1  TYR  44          1HE       TYR  44  -6.587   0.473  -3.602
  314    HE2  TYR  44          2HE       TYR  44  -4.276  -2.953  -4.674
  315    HH   TYR  44           HH       TYR  44  -4.203  -0.580  -5.711
  316    H    HIS  45           H        HIS  45 -10.391  -3.667   0.288
  317    HA   HIS  45           HA       HIS  45 -10.299  -6.472   1.010
  318    HB2  HIS  45          2HB       HIS  45 -11.209  -4.782   2.610
  319    HB3  HIS  45          1HB       HIS  45 -12.481  -4.412   1.459
  320    HD1  HIS  45          1HD       HIS  45 -14.434  -5.162   2.933
  321    HD2  HIS  45          2HD       HIS  45 -11.530  -8.091   2.439
  322    HE1  HIS  45          1HE       HIS  45 -15.398  -7.283   3.921
  323    H    CYS  46           H        CYS  46 -10.837  -7.926  -0.478
  324    HA   CYS  46           HA       CYS  46 -12.267  -7.149  -2.768
  325    HB2  CYS  46          2HB       CYS  46 -11.315  -9.861  -1.852
  326    HB3  CYS  46          1HB       CYS  46 -12.074  -9.568  -3.415
  Start of MODEL   13
    1    H1   ALA   1           H        ALA   1 -10.262 -13.493   8.012
    2    HA   ALA   1           HA       ALA   1 -11.820 -11.692   7.608
    3    HB1  ALA   1          1HB       ALA   1  -9.533  -9.913   8.435
    4    HB2  ALA   1          2HB       ALA   1 -10.966 -10.270   9.403
    5    HB3  ALA   1          3HB       ALA   1 -11.121  -9.387   7.884
    6    H    LYS   2           H        LYS   2 -11.998 -10.605   5.598
    7    HA   LYS   2           HA       LYS   2  -9.956 -11.493   3.789
    8    HB2  LYS   2          2HB       LYS   2 -11.547 -10.788   1.979
    9    HB3  LYS   2          1HB       LYS   2 -12.148 -12.029   3.060
   10    HG2  LYS   2          2HG       LYS   2 -13.479 -10.338   4.244
   11    HG3  LYS   2          1HG       LYS   2 -12.871  -9.104   3.141
   12    HD2  LYS   2          2HD       LYS   2 -13.876 -10.301   1.249
   13    HD3  LYS   2          1HD       LYS   2 -14.470 -11.538   2.353
   14    HE2  LYS   2          2HE       LYS   2 -16.224  -9.932   1.766
   15    HE3  LYS   2          1HE       LYS   2 -15.856  -9.892   3.489
   16    HZ1  LYS   2          1HZ       LYS   2 -14.518  -7.923   3.107
   17    HZ2  LYS   2          2HZ       LYS   2 -16.087  -7.667   2.590
   18    HZ3  LYS   2          3HZ       LYS   2 -14.871  -7.941   1.464
   19    H    HIS   3           H        HIS   3  -8.233 -10.263   3.966
   20    HA   HIS   3           HA       HIS   3  -8.484  -7.461   3.109
   21    HB2  HIS   3          2HB       HIS   3  -6.341  -8.778   4.834
   22    HB3  HIS   3          1HB       HIS   3  -6.194  -7.159   4.172
   23    HD1  HIS   3          1HD       HIS   3  -6.314  -5.710   6.260
   24    HD2  HIS   3          2HD       HIS   3  -9.271  -8.616   6.153
   25    HE1  HIS   3          1HE       HIS   3  -7.769  -5.293   8.271
   26    H    CYS   4           H        CYS   4  -7.198  -6.922   1.296
   27    HA   CYS   4           HA       CYS   4  -6.029  -9.304   0.069
   28    HB2  CYS   4          2HB       CYS   4  -8.107  -8.720  -0.915
   29    HB3  CYS   4          1HB       CYS   4  -7.583  -7.063  -1.141
   30    H    GLY   5           H        GLY   5  -4.019  -9.004   0.528
   31    HA2  GLY   5          2HA       GLY   5  -2.675  -6.490  -0.060
   32    HA3  GLY   5          1HA       GLY   5  -1.953  -7.904   0.706
   33    H    LYS   6           H        LYS   6  -2.305  -6.186  -2.098
   34    HA   LYS   6           HA       LYS   6  -1.573  -8.447  -3.824
   35    HB2  LYS   6          2HB       LYS   6  -2.311  -5.600  -4.504
   36    HB3  LYS   6          1HB       LYS   6  -1.958  -6.864  -5.666
   37    HG2  LYS   6          2HG       LYS   6  -3.933  -8.102  -4.920
   38    HG3  LYS   6          1HG       LYS   6  -4.264  -6.850  -3.725
   39    HD2  LYS   6          2HD       LYS   6  -5.671  -6.502  -5.665
   40    HD3  LYS   6          1HD       LYS   6  -4.495  -5.205  -5.544
   41    HE2  LYS   6          2HE       LYS   6  -4.700  -5.897  -7.846
   42    HE3  LYS   6          1HE       LYS   6  -3.103  -6.312  -7.251
   43    HZ1  LYS   6          1HZ       LYS   6  -3.848  -8.613  -6.981
   44    HZ2  LYS   6          2HZ       LYS   6  -4.087  -8.091  -8.564
   45    HZ3  LYS   6          3HZ       LYS   6  -5.384  -8.191  -7.510
   46    H    HIS   7           H        HIS   7   0.240  -8.091  -5.322
   47    HA   HIS   7           HA       HIS   7   2.470  -6.808  -4.094
   48    HB2  HIS   7          2HB       HIS   7   2.632  -8.756  -5.745
   49    HB3  HIS   7          1HB       HIS   7   2.157  -7.627  -7.008
   50    HD1  HIS   7          1HD       HIS   7   3.992  -6.009  -7.894
   51    HD2  HIS   7          2HD       HIS   7   5.206  -8.394  -4.720
   52    HE1  HIS   7          1HE       HIS   7   6.483  -5.742  -7.749
   53    H    SER   8           H        SER   8   3.053  -4.703  -4.375
   54    HA   SER   8           HA       SER   8   0.941  -3.148  -5.558
   55    HB2  SER   8          2HB       SER   8   3.192  -2.316  -3.751
   56    HB3  SER   8          1HB       SER   8   1.774  -1.349  -4.186
   57    HG   SER   8           HG       SER   8   1.365  -3.911  -3.210
   58    H    LYS   9           H        LYS   9   1.104  -1.851  -7.207
   59    HA   LYS   9           HA       LYS   9   3.420  -1.968  -8.934
   60    HB2  LYS   9          2HB       LYS   9   0.966  -0.235  -9.186
   61    HB3  LYS   9          1HB       LYS   9   2.100  -0.616 -10.467
   62    HG2  LYS   9          2HG       LYS   9   1.352  -2.998 -10.288
   63    HG3  LYS   9          1HG       LYS   9   0.115  -2.459  -9.151
   64    HD2  LYS   9          2HD       LYS   9   0.422  -1.632 -12.046
   65    HD3  LYS   9          1HD       LYS   9  -0.860  -2.624 -11.360
   66    HE2  LYS   9          2HE       LYS   9  -0.347   0.288 -10.713
   67    HE3  LYS   9          1HE       LYS   9  -1.577  -0.318 -11.807
   68    HZ1  LYS   9          1HZ       LYS   9  -2.745  -1.306 -10.022
   69    HZ2  LYS   9          2HZ       LYS   9  -2.348   0.254  -9.519
   70    HZ3  LYS   9          3HZ       LYS   9  -1.490  -1.061  -8.933
   71    H    SER  10           H        SER  10   2.227  -0.041  -6.441
   72    HA   SER  10           HA       SER  10   3.570   2.378  -7.209
   73    HB2  SER  10          2HB       SER  10   2.272   1.689  -4.564
   74    HB3  SER  10          1HB       SER  10   2.577   3.298  -5.228
   75    HG   SER  10           HG       SER  10   0.517   1.566  -5.698
   76    H    TRP  11           H        TRP  11   5.676   1.380  -7.386
   77    HA   TRP  11           HA       TRP  11   6.877   0.246  -5.089
   78    HB2  TRP  11          2HB       TRP  11   9.035   0.301  -6.395
   79    HB3  TRP  11          1HB       TRP  11   7.722  -0.602  -7.131
   80    HD1  TRP  11           HD       TRP  11   9.439   2.854  -7.472
   81    HE1  TRP  11          1HE       TRP  11   9.319   3.557  -9.945
   82    HE3  TRP  11          3HE       TRP  11   6.690  -1.044  -9.271
   83    HZ2  TRP  11          2HZ       TRP  11   8.211   2.555 -12.358
   84    HZ3  TRP  11          3HZ       TRP  11   6.155  -1.113 -11.664
   85    HH2  TRP  11           HH       TRP  11   6.900   0.656 -13.174
   86    H    ASN  12           H        ASN  12   8.403   0.928  -3.793
   87    HA   ASN  12           HA       ASN  12   8.372   3.826  -3.331
   88    HB2  ASN  12          2HB       ASN  12   8.868   3.218  -0.961
   89    HB3  ASN  12          1HB       ASN  12   7.333   2.582  -1.532
   90   HD21  ASN  12          1HD2      ASN  12  10.569   1.759  -0.454
   91   HD22  ASN  12          2HD2      ASN  12  10.282   0.074  -0.351
   92    H    GLY  13           H        GLY  13  10.248   4.913  -2.840
   93    HA2  GLY  13          2HA       GLY  13  12.760   3.650  -3.543
   94    HA3  GLY  13          1HA       GLY  13  12.533   5.333  -3.042
   95    H    LYS  14           H        LYS  14  11.265   5.161  -0.715
   96    HA   LYS  14           HA       LYS  14  12.667   3.257   0.968
   97    HB2  LYS  14          2HB       LYS  14  13.636   5.547   1.200
   98    HB3  LYS  14          1HB       LYS  14  12.028   6.142   1.594
   99    HG2  LYS  14          2HG       LYS  14  13.347   5.919   3.560
  100    HG3  LYS  14          1HG       LYS  14  12.004   4.784   3.615
  101    HD2  LYS  14          2HD       LYS  14  13.986   3.649   4.433
  102    HD3  LYS  14          1HD       LYS  14  13.572   2.981   2.860
  103    HE2  LYS  14          2HE       LYS  14  15.308   4.354   1.816
  104    HE3  LYS  14          1HE       LYS  14  15.698   5.058   3.387
  105    HZ1  LYS  14          1HZ       LYS  14  17.244   3.301   2.818
  106    HZ2  LYS  14          2HZ       LYS  14  16.011   2.196   2.623
  107    HZ3  LYS  14          3HZ       LYS  14  16.337   2.828   4.149
  108    H    CYS  15           H        CYS  15  11.277   2.345   2.483
  109    HA   CYS  15           HA       CYS  15   8.497   2.706   1.804
  110    HB2  CYS  15          2HB       CYS  15   9.442   0.457   1.822
  111    HB3  CYS  15          1HB       CYS  15   9.799   0.628   3.536
  112    H    PHE  16           H        PHE  16   7.526   4.288   2.847
  113    HA   PHE  16           HA       PHE  16   7.673   4.256   5.765
  114    HB2  PHE  16          2HB       PHE  16   6.764   6.442   3.874
  115    HB3  PHE  16          1HB       PHE  16   6.586   6.520   5.622
  116    HD1  PHE  16          1HD       PHE  16   8.839   6.829   2.808
  117    HD2  PHE  16          2HD       PHE  16   8.564   6.732   7.052
  118    HE1  PHE  16          1HE       PHE  16  11.083   7.787   2.975
  119    HE2  PHE  16          2HE       PHE  16  10.812   7.692   7.221
  120    HZ   PHE  16           HZ       PHE  16  12.077   8.221   5.175
  121    H    HIS  17           H        HIS  17   6.015   3.318   6.693
  122    HA   HIS  17           HA       HIS  17   3.947   2.166   5.232
  123    HB2  HIS  17          2HB       HIS  17   2.871   1.604   7.385
  124    HB3  HIS  17          1HB       HIS  17   4.587   1.241   7.394
  125    HD1  HIS  17          1HD       HIS  17   2.010   3.407   9.053
  126    HD2  HIS  17          2HD       HIS  17   6.118   2.784   9.158
  127    HE1  HIS  17          1HE       HIS  17   2.841   4.615  11.087
  128    H    LYS  18           H        LYS  18   3.986   5.208   6.995
  129    HA   LYS  18           HA       LYS  18   1.257   5.820   6.709
  130    HB2  LYS  18          2HB       LYS  18   2.688   7.013   8.295
  131    HB3  LYS  18          1HB       LYS  18   3.643   7.651   6.972
  132    HG2  LYS  18          2HG       LYS  18   1.779   8.971   6.195
  133    HG3  LYS  18          1HG       LYS  18   0.735   8.275   7.434
  134    HD2  LYS  18          2HD       LYS  18   2.042   9.291   9.177
  135    HD3  LYS  18          1HD       LYS  18   3.235   9.854   8.007
  136    HE2  LYS  18          2HE       LYS  18   1.736  11.657   8.707
  137    HE3  LYS  18          1HE       LYS  18   1.581  11.312   6.989
  138    HZ1  LYS  18          1HZ       LYS  18  -0.528  11.676   8.043
  139    HZ2  LYS  18          2HZ       LYS  18  -0.320  10.428   9.117
  140    HZ3  LYS  18          3HZ       LYS  18  -0.492  10.113   7.461
  141    H    LYS  19           H        LYS  19   4.057   6.632   4.712
  142    HA   LYS  19           HA       LYS  19   2.579   8.153   2.833
  143    HB2  LYS  19          2HB       LYS  19   5.259   6.803   2.580
  144    HB3  LYS  19          1HB       LYS  19   4.572   7.844   1.349
  145    HG2  LYS  19          2HG       LYS  19   5.094   8.732   4.172
  146    HG3  LYS  19          1HG       LYS  19   6.230   8.964   2.845
  147    HD2  LYS  19          2HD       LYS  19   4.523  10.279   1.639
  148    HD3  LYS  19          1HD       LYS  19   3.406  10.051   2.983
  149    HE2  LYS  19          2HE       LYS  19   4.485  12.251   3.058
  150    HE3  LYS  19          1HE       LYS  19   4.900  11.273   4.461
  151    HZ1  LYS  19          1HZ       LYS  19   6.813  12.448   3.535
  152    HZ2  LYS  19          2HZ       LYS  19   6.665  11.602   2.074
  153    HZ3  LYS  19          3HZ       LYS  19   7.023  10.787   3.487
  154    H    CYS  20           H        CYS  20   3.578   4.786   2.928
  155    HA   CYS  20           HA       CYS  20   2.625   3.967   0.435
  156    HB2  CYS  20          2HB       CYS  20   4.027   2.549   1.877
  157    HB3  CYS  20          1HB       CYS  20   2.741   2.464   3.069
  158    H    ASN  21           H        ASN  21   1.032   4.102   3.596
  159    HA   ASN  21           HA       ASN  21  -1.483   3.184   2.899
  160    HB2  ASN  21          2HB       ASN  21  -0.859   3.395   5.207
  161    HB3  ASN  21          1HB       ASN  21  -0.583   5.115   5.038
  162   HD21  ASN  21          1HD2      ASN  21  -3.472   3.665   3.607
  163   HD22  ASN  21          2HD2      ASN  21  -4.538   4.325   4.783
  164    H    HIS  22           H        HIS  22  -0.506   6.558   3.270
  165    HA   HIS  22           HA       HIS  22  -2.910   7.612   2.323
  166    HB2  HIS  22          2HB       HIS  22  -0.187   8.870   2.516
  167    HB3  HIS  22          1HB       HIS  22  -1.604   9.752   1.959
  168    HD1  HIS  22          1HD       HIS  22  -3.318  10.465   3.745
  169    HD2  HIS  22          2HD       HIS  22  -0.181   8.193   5.214
  170    HE1  HIS  22          1HE       HIS  22  -3.492  10.600   6.236
  171    H    TRP  23           H        TRP  23   0.146   7.177   0.559
  172    HA   TRP  23           HA       TRP  23  -0.730   8.383  -1.808
  173    HB2  TRP  23          2HB       TRP  23   1.648   7.878  -1.201
  174    HB3  TRP  23          1HB       TRP  23   1.324   6.188  -1.544
  175    HD1  TRP  23           HD       TRP  23   0.749   5.601  -4.207
  176    HE1  TRP  23          1HE       TRP  23   1.669   6.735  -6.348
  177    HE3  TRP  23          3HE       TRP  23   2.378  10.005  -2.185
  178    HZ2  TRP  23          2HZ       TRP  23   2.886   9.143  -7.063
  179    HZ3  TRP  23          3HZ       TRP  23   3.410  11.668  -3.670
  180    HH2  TRP  23           HH       TRP  23   3.659  11.244  -6.058
  181    H    CYS  24           H        CYS  24  -0.754   4.952  -0.786
  182    HA   CYS  24           HA       CYS  24  -1.734   4.153  -3.324
  183    HB2  CYS  24          2HB       CYS  24  -0.545   2.658  -1.453
  184    HB3  CYS  24          1HB       CYS  24  -2.186   2.485  -0.903
  185    H    MET  25           H        MET  25  -3.270   4.993  -0.273
  186    HA   MET  25           HA       MET  25  -5.907   4.181  -0.906
  187    HB2  MET  25          2HB       MET  25  -5.251   4.723   1.375
  188    HB3  MET  25          1HB       MET  25  -4.873   6.369   0.899
  189    HG2  MET  25          2HG       MET  25  -7.241   6.756   0.408
  190    HG3  MET  25          1HG       MET  25  -7.613   5.116   0.934
  191    HE1  MET  25          1HE       MET  25  -4.954   7.567   2.608
  192    HE2  MET  25          2HE       MET  25  -5.985   8.418   3.758
  193    HE3  MET  25          3HE       MET  25  -6.227   8.635   2.026
  194    H    GLU  26           H        GLU  26  -4.182   7.199  -1.294
  195    HA   GLU  26           HA       GLU  26  -6.244   8.773  -2.368
  196    HB2  GLU  26          2HB       GLU  26  -4.252   9.668  -1.307
  197    HB3  GLU  26          1HB       GLU  26  -3.237   8.943  -2.534
  198    HG2  GLU  26          2HG       GLU  26  -3.453  11.313  -2.887
  199    HG3  GLU  26          1HG       GLU  26  -4.211  10.417  -4.202
  200    H    LYS  27           H        LYS  27  -3.542   7.072  -3.893
  201    HA   LYS  27           HA       LYS  27  -4.417   7.890  -6.499
  202    HB2  LYS  27          2HB       LYS  27  -2.068   6.276  -5.575
  203    HB3  LYS  27          1HB       LYS  27  -2.356   6.679  -7.258
  204    HG2  LYS  27          2HG       LYS  27  -2.065   8.701  -5.050
  205    HG3  LYS  27          1HG       LYS  27  -0.750   8.185  -6.107
  206    HD2  LYS  27          2HD       LYS  27  -1.868   9.073  -8.037
  207    HD3  LYS  27          1HD       LYS  27  -3.331   9.397  -7.115
  208    HE2  LYS  27          2HE       LYS  27  -1.965  11.415  -7.548
  209    HE3  LYS  27          1HE       LYS  27  -2.238  11.088  -5.839
  210    HZ1  LYS  27          1HZ       LYS  27  -0.033  10.178  -5.679
  211    HZ2  LYS  27          2HZ       LYS  27   0.031  11.739  -6.301
  212    HZ3  LYS  27          3HZ       LYS  27   0.247  10.427  -7.331
  213    H    GLU  28           H        GLU  28  -3.969   4.676  -4.988
  214    HA   GLU  28           HA       GLU  28  -5.106   3.515  -7.440
  215    HB2  GLU  28          2HB       GLU  28  -3.731   2.173  -5.120
  216    HB3  GLU  28          1HB       GLU  28  -4.157   1.435  -6.656
  217    HG2  GLU  28          2HG       GLU  28  -2.193   3.689  -6.311
  218    HG3  GLU  28          1HG       GLU  28  -1.764   1.988  -6.460
  219    H    ASP  29           H        ASP  29  -6.179   4.609  -4.643
  220    HA   ASP  29           HA       ASP  29  -7.711   4.217  -3.108
  221    HB2  ASP  29          2HB       ASP  29  -9.300   4.557  -4.941
  222    HB3  ASP  29          1HB       ASP  29  -9.232   2.843  -5.347
  223    H    ALA  30           H        ALA  30  -6.067   2.960  -2.230
  224    HA   ALA  30           HA       ALA  30  -6.757   0.156  -1.889
  225    HB1  ALA  30          1HB       ALA  30  -4.758   0.078  -0.454
  226    HB2  ALA  30          2HB       ALA  30  -4.544   1.816  -0.669
  227    HB3  ALA  30          3HB       ALA  30  -4.378   0.730  -2.048
  228    H    LYS  31           H        LYS  31  -7.099  -0.617   0.280
  229    HA   LYS  31           HA       LYS  31  -8.890   1.096   1.739
  230    HB2  LYS  31          2HB       LYS  31  -7.667  -1.517   2.639
  231    HB3  LYS  31          1HB       LYS  31  -9.093  -0.742   3.304
  232    HG2  LYS  31          2HG       LYS  31 -10.233  -1.103   1.118
  233    HG3  LYS  31          1HG       LYS  31  -8.809  -1.990   0.575
  234    HD2  LYS  31          2HD       LYS  31 -10.333  -3.632   1.333
  235    HD3  LYS  31          1HD       LYS  31  -9.124  -3.471   2.603
  236    HE2  LYS  31          2HE       LYS  31 -10.628  -1.892   3.754
  237    HE3  LYS  31          1HE       LYS  31 -11.865  -2.240   2.560
  238    HZ1  LYS  31          1HZ       LYS  31 -10.660  -4.189   4.442
  239    HZ2  LYS  31          2HZ       LYS  31 -11.804  -4.571   3.247
  240    HZ3  LYS  31          3HZ       LYS  31 -12.212  -3.561   4.510
  241    H    TYR  32           H        TYR  32  -5.673  -0.224   2.078
  242    HA   TYR  32           HA       TYR  32  -4.665   2.053   3.353
  243    HB2  TYR  32          2HB       TYR  32  -3.930   0.992   5.460
  244    HB3  TYR  32          1HB       TYR  32  -5.685   1.003   5.368
  245    HD1  TYR  32          1HD       TYR  32  -2.689  -1.015   5.609
  246    HD2  TYR  32          2HD       TYR  32  -6.890  -1.178   4.930
  247    HE1  TYR  32          1HE       TYR  32  -2.664  -3.394   6.071
  248    HE2  TYR  32          2HE       TYR  32  -6.865  -3.598   5.404
  249    HH   TYR  32           HH       TYR  32  -4.118  -5.144   6.749
  250    H    GLY  33           H        GLY  33  -2.250   1.666   3.762
  251    HA2  GLY  33          2HA       GLY  33  -1.224  -0.571   2.216
  252    HA3  GLY  33          1HA       GLY  33  -0.665   1.076   1.900
  253    H    SER  34           H        SER  34   0.501  -1.468   3.202
  254    HA   SER  34           HA       SER  34   1.588  -0.040   5.515
  255    HB2  SER  34          2HB       SER  34   0.829  -2.974   5.437
  256    HB3  SER  34          1HB       SER  34   1.626  -2.152   6.777
  257    HG   SER  34           HG       SER  34  -0.247  -0.721   6.774
  258    H    CYS  35           H        CYS  35   3.653  -1.371   6.289
  259    HA   CYS  35           HA       CYS  35   5.208  -1.747   3.834
  260    HB2  CYS  35          2HB       CYS  35   5.792   0.116   5.553
  261    HB3  CYS  35          1HB       CYS  35   6.301  -1.215   6.588
  262    H    SER  36           H        SER  36   6.121  -3.592   3.472
  263    HA   SER  36           HA       SER  36   6.477  -5.475   5.644
  264    HB2  SER  36          2HB       SER  36   5.010  -6.117   3.071
  265    HB3  SER  36          1HB       SER  36   5.478  -7.285   4.308
  266    HG   SER  36           HG       SER  36   4.168  -5.195   5.371
  267    H    HIS  37           H        HIS  37   8.481  -6.108   5.551
  268    HA   HIS  37           HA       HIS  37  10.545  -6.695   4.892
  269    HB2  HIS  37          2HB       HIS  37   9.238  -7.188   2.200
  270    HB3  HIS  37          1HB       HIS  37  10.887  -7.651   2.604
  271    HD1  HIS  37          1HD       HIS  37   7.882  -9.328   2.143
  272    HD2  HIS  37          2HD       HIS  37  10.558  -9.179   5.315
  273    HE1  HIS  37          1HE       HIS  37   7.500 -11.422   3.451
  274    H    GLY  38           H        GLY  38   9.419  -3.927   4.486
  275    HA2  GLY  38          2HA       GLY  38  10.555  -1.948   4.026
  276    HA3  GLY  38          1HA       GLY  38  11.751  -2.878   3.128
  277    H    ASP  39           H        ASP  39   8.605  -3.704   2.290
  278    HA   ASP  39           HA       ASP  39   8.694  -1.881  -0.001
  279    HB2  ASP  39          2HB       ASP  39   7.790  -4.746   0.150
  280    HB3  ASP  39          1HB       ASP  39   7.372  -3.722  -1.211
  281    H    CYS  40           H        CYS  40   6.811  -0.983  -0.639
  282    HA   CYS  40           HA       CYS  40   4.712  -0.648   1.263
  283    HB2  CYS  40          2HB       CYS  40   5.372   1.195  -0.180
  284    HB3  CYS  40          1HB       CYS  40   5.059   0.238  -1.615
  285    H    TYR  41           H        TYR  41   2.989  -1.908   1.483
  286    HA   TYR  41           HA       TYR  41   2.135  -3.498  -0.803
  287    HB2  TYR  41          2HB       TYR  41   2.373  -4.288   2.072
  288    HB3  TYR  41          1HB       TYR  41   1.161  -5.046   1.051
  289    HD1  TYR  41          1HD       TYR  41   4.836  -4.465   1.371
  290    HD2  TYR  41          2HD       TYR  41   1.737  -6.781  -0.404
  291    HE1  TYR  41          1HE       TYR  41   6.482  -6.075   0.590
  292    HE2  TYR  41          2HE       TYR  41   3.391  -8.382  -1.209
  293    HH   TYR  41           HH       TYR  41   5.771  -8.554  -1.663
  294    H    CYS  42           H        CYS  42   0.411  -2.804  -1.533
  295    HA   CYS  42           HA       CYS  42  -1.466  -1.257  -0.006
  296    HB2  CYS  42          2HB       CYS  42  -1.492  -2.216  -2.853
  297    HB3  CYS  42          1HB       CYS  42  -2.659  -1.114  -2.144
  298    H    TYR  43           H        TYR  43  -3.245  -2.011   0.899
  299    HA   TYR  43           HA       TYR  43  -4.088  -4.717   0.237
  300    HB2  TYR  43          2HB       TYR  43  -4.439  -3.124   2.787
  301    HB3  TYR  43          1HB       TYR  43  -5.173  -4.699   2.492
  302    HD1  TYR  43          1HD       TYR  43  -3.894  -6.703   2.698
  303    HD2  TYR  43          2HD       TYR  43  -1.961  -2.934   2.963
  304    HE1  TYR  43          1HE       TYR  43  -1.864  -7.809   3.477
  305    HE2  TYR  43          2HE       TYR  43   0.076  -4.009   3.735
  306    HH   TYR  43           HH       TYR  43   0.659  -7.273   3.478
  307    H    TYR  44           H        TYR  44  -5.790  -4.841  -0.883
  308    HA   TYR  44           HA       TYR  44  -7.649  -2.566  -1.035
  309    HB2  TYR  44          2HB       TYR  44  -7.134  -4.769  -3.047
  310    HB3  TYR  44          1HB       TYR  44  -8.242  -3.424  -3.256
  311    HD1  TYR  44          1HD       TYR  44  -4.831  -4.554  -3.488
  312    HD2  TYR  44          2HD       TYR  44  -7.315  -1.119  -3.508
  313    HE1  TYR  44          1HE       TYR  44  -3.020  -3.273  -4.503
  314    HE2  TYR  44          2HE       TYR  44  -5.542   0.191  -4.498
  315    HH   TYR  44           HH       TYR  44  -3.012   0.091  -4.613
  316    H    HIS  45           H        HIS  45  -9.901  -3.313  -1.593
  317    HA   HIS  45           HA       HIS  45 -10.581  -5.688  -0.115
  318    HB2  HIS  45          2HB       HIS  45 -12.992  -5.026  -0.650
  319    HB3  HIS  45          1HB       HIS  45 -12.108  -3.903   0.358
  320    HD1  HIS  45          1HD       HIS  45 -12.404  -1.466  -0.342
  321    HD2  HIS  45          2HD       HIS  45 -13.055  -4.122  -3.479
  322    HE1  HIS  45          1HE       HIS  45 -13.171  -0.084  -2.267
  323    H    CYS  46           H        CYS  46 -10.582  -7.621  -1.015
  324    HA   CYS  46           HA       CYS  46 -11.377  -7.850  -3.802
  325    HB2  CYS  46          2HB       CYS  46  -9.298  -9.490  -2.323
  326    HB3  CYS  46          1HB       CYS  46  -9.882  -9.807  -3.939
  Start of MODEL   14
    1    H1   ALA   1           H        ALA   1 -10.062  -9.745   8.119
    2    HA   ALA   1           HA       ALA   1 -11.495  -7.973   6.590
    3    HB1  ALA   1          1HB       ALA   1  -8.810  -6.782   7.270
    4    HB2  ALA   1          2HB       ALA   1 -10.383  -6.113   7.721
    5    HB3  ALA   1          3HB       ALA   1  -9.909  -6.196   6.023
    6    H    LYS   2           H        LYS   2 -11.059  -8.335   4.440
    7    HA   LYS   2           HA       LYS   2  -9.234 -10.467   3.903
    8    HB2  LYS   2          2HB       LYS   2 -11.048  -8.831   2.122
    9    HB3  LYS   2          1HB       LYS   2 -10.026 -10.130   1.525
   10    HG2  LYS   2          2HG       LYS   2 -12.126 -10.491   3.647
   11    HG3  LYS   2          1HG       LYS   2 -12.403 -10.771   1.926
   12    HD2  LYS   2          2HD       LYS   2 -10.654 -12.462   1.901
   13    HD3  LYS   2          1HD       LYS   2 -10.302 -12.152   3.598
   14    HE2  LYS   2          2HE       LYS   2 -12.474 -12.952   4.241
   15    HE3  LYS   2          1HE       LYS   2 -12.946 -13.141   2.550
   16    HZ1  LYS   2          1HZ       LYS   2 -10.702 -14.595   3.833
   17    HZ2  LYS   2          2HZ       LYS   2 -11.324 -14.859   2.283
   18    HZ3  LYS   2          3HZ       LYS   2 -12.240 -15.232   3.635
   19    H    HIS   3           H        HIS   3  -7.198  -9.895   4.107
   20    HA   HIS   3           HA       HIS   3  -6.188  -7.376   3.224
   21    HB2  HIS   3          2HB       HIS   3  -4.750  -9.878   4.142
   22    HB3  HIS   3          1HB       HIS   3  -3.940  -8.385   3.684
   23    HD1  HIS   3          1HD       HIS   3  -6.683  -9.346   6.224
   24    HD2  HIS   3          2HD       HIS   3  -3.352  -6.887   5.808
   25    HE1  HIS   3          1HE       HIS   3  -6.395  -8.181   8.433
   26    H    CYS   4           H        CYS   4  -6.964  -7.470   1.101
   27    HA   CYS   4           HA       CYS   4  -5.644  -9.283  -0.741
   28    HB2  CYS   4          2HB       CYS   4  -8.028  -8.754  -1.026
   29    HB3  CYS   4          1HB       CYS   4  -7.620  -7.051  -1.160
   30    H    GLY   5           H        GLY   5  -3.623  -8.668  -0.624
   31    HA2  GLY   5          2HA       GLY   5  -2.987  -5.826  -0.859
   32    HA3  GLY   5          1HA       GLY   5  -1.914  -7.064  -0.232
   33    H    LYS   6           H        LYS   6  -2.162  -5.007  -2.537
   34    HA   LYS   6           HA       LYS   6  -1.309  -6.704  -4.697
   35    HB2  LYS   6          2HB       LYS   6  -1.449  -3.717  -4.376
   36    HB3  LYS   6          1HB       LYS   6  -0.727  -4.471  -5.784
   37    HG2  LYS   6          2HG       LYS   6  -2.951  -5.605  -6.136
   38    HG3  LYS   6          1HG       LYS   6  -3.588  -4.523  -4.893
   39    HD2  LYS   6          2HD       LYS   6  -2.856  -2.583  -6.167
   40    HD3  LYS   6          1HD       LYS   6  -2.145  -3.637  -7.384
   41    HE2  LYS   6          2HE       LYS   6  -4.403  -4.549  -7.834
   42    HE3  LYS   6          1HE       LYS   6  -5.063  -3.372  -6.699
   43    HZ1  LYS   6          1HZ       LYS   6  -5.231  -2.564  -8.943
   44    HZ2  LYS   6          2HZ       LYS   6  -3.600  -2.772  -9.201
   45    HZ3  LYS   6          3HZ       LYS   6  -4.135  -1.592  -8.101
   46    H    HIS   7           H        HIS   7   0.711  -7.107  -5.193
   47    HA   HIS   7           HA       HIS   7   2.739  -6.677  -3.245
   48    HB2  HIS   7          2HB       HIS   7   2.495  -8.704  -4.773
   49    HB3  HIS   7          1HB       HIS   7   3.030  -7.686  -6.098
   50    HD1  HIS   7          1HD       HIS   7   5.622  -6.995  -6.073
   51    HD2  HIS   7          2HD       HIS   7   4.395  -9.605  -3.084
   52    HE1  HIS   7          1HE       HIS   7   7.722  -7.876  -5.012
   53    H    SER   8           H        SER   8   4.706  -5.441  -3.669
   54    HA   SER   8           HA       SER   8   4.241  -2.894  -4.684
   55    HB2  SER   8          2HB       SER   8   6.745  -2.669  -4.387
   56    HB3  SER   8          1HB       SER   8   5.870  -3.233  -2.960
   57    HG   SER   8           HG       SER   8   7.336  -4.730  -4.825
   58    H    LYS   9           H        LYS   9   3.635  -2.812  -6.782
   59    HA   LYS   9           HA       LYS   9   5.004  -4.229  -8.876
   60    HB2  LYS   9          2HB       LYS   9   2.555  -3.608  -8.947
   61    HB3  LYS   9          1HB       LYS   9   3.041  -1.926  -9.084
   62    HG2  LYS   9          2HG       LYS   9   4.230  -2.482 -11.173
   63    HG3  LYS   9          1HG       LYS   9   3.616  -4.129 -11.040
   64    HD2  LYS   9          2HD       LYS   9   1.316  -3.252 -11.112
   65    HD3  LYS   9          1HD       LYS   9   1.962  -1.622 -11.314
   66    HE2  LYS   9          2HE       LYS   9   2.332  -3.953 -13.189
   67    HE3  LYS   9          1HE       LYS   9   1.336  -2.526 -13.470
   68    HZ1  LYS   9          1HZ       LYS   9   4.297  -2.520 -13.163
   69    HZ2  LYS   9          2HZ       LYS   9   3.364  -1.166 -13.480
   70    HZ3  LYS   9          3HZ       LYS   9   3.477  -2.396 -14.611
   71    H    SER  10           H        SER  10   4.770  -1.026  -7.552
   72    HA   SER  10           HA       SER  10   6.902  -0.033  -9.175
   73    HB2  SER  10          2HB       SER  10   6.412   2.009  -7.679
   74    HB3  SER  10          1HB       SER  10   5.149   1.521  -8.812
   75    HG   SER  10           HG       SER  10   4.817   1.898  -6.310
   76    H    TRP  11           H        TRP  11   8.918  -0.358  -8.536
   77    HA   TRP  11           HA       TRP  11   9.433  -1.443  -5.920
   78    HB2  TRP  11          2HB       TRP  11  11.307  -0.853  -8.207
   79    HB3  TRP  11          1HB       TRP  11  11.767  -1.669  -6.714
   80    HD1  TRP  11           HD       TRP  11  10.454  -2.359 -10.104
   81    HE1  TRP  11          1HE       TRP  11   9.746  -4.828 -10.300
   82    HE3  TRP  11          3HE       TRP  11  10.508  -3.613  -5.155
   83    HZ2  TRP  11          2HZ       TRP  11   9.243  -6.996  -8.574
   84    HZ3  TRP  11          3HZ       TRP  11   9.897  -5.904  -4.517
   85    HH2  TRP  11           HH       TRP  11   9.282  -7.559  -6.203
   86    H    ASN  12           H        ASN  12   9.219   1.587  -7.172
   87    HA   ASN  12           HA       ASN  12  10.972   2.630  -5.097
   88    HB2  ASN  12          2HB       ASN  12   9.668   4.109  -7.409
   89    HB3  ASN  12          1HB       ASN  12  10.680   4.855  -6.184
   90   HD21  ASN  12          1HD2      ASN  12  12.549   2.528  -6.149
   91   HD22  ASN  12          2HD2      ASN  12  13.477   2.676  -7.585
   92    H    GLY  13           H        GLY  13   9.589   1.913  -3.543
   93    HA2  GLY  13          2HA       GLY  13   7.510   3.845  -2.901
   94    HA3  GLY  13          1HA       GLY  13   7.044   2.141  -2.953
   95    H    LYS  14           H        LYS  14   8.963   4.513  -1.400
   96    HA   LYS  14           HA       LYS  14  10.577   3.016   0.248
   97    HB2  LYS  14          2HB       LYS  14  10.615   5.521  -0.191
   98    HB3  LYS  14          1HB       LYS  14   9.352   5.650   1.019
   99    HG2  LYS  14          2HG       LYS  14  11.433   6.178   2.065
  100    HG3  LYS  14          1HG       LYS  14  10.903   4.601   2.651
  101    HD2  LYS  14          2HD       LYS  14  12.407   3.504   1.034
  102    HD3  LYS  14          1HD       LYS  14  12.919   5.083   0.467
  103    HE2  LYS  14          2HE       LYS  14  13.272   4.078   3.285
  104    HE3  LYS  14          1HE       LYS  14  14.511   4.054   2.039
  105    HZ1  LYS  14          1HZ       LYS  14  13.224   6.502   3.143
  106    HZ2  LYS  14          2HZ       LYS  14  14.377   6.459   1.911
  107    HZ3  LYS  14          3HZ       LYS  14  14.788   5.961   3.456
  108    H    CYS  15           H        CYS  15  10.456   2.306   2.333
  109    HA   CYS  15           HA       CYS  15   7.958   1.219   3.073
  110    HB2  CYS  15          2HB       CYS  15   9.910  -0.061   3.306
  111    HB3  CYS  15          1HB       CYS  15  10.679   1.078   4.385
  112    H    PHE  16           H        PHE  16   6.532   2.638   3.712
  113    HA   PHE  16           HA       PHE  16   6.958   3.984   6.272
  114    HB2  PHE  16          2HB       PHE  16   5.509   4.989   3.810
  115    HB3  PHE  16          1HB       PHE  16   5.186   5.622   5.411
  116    HD1  PHE  16          1HD       PHE  16   6.758   7.059   6.503
  117    HD2  PHE  16          2HD       PHE  16   7.582   5.496   2.646
  118    HE1  PHE  16          1HE       PHE  16   8.512   8.732   6.211
  119    HE2  PHE  16          2HE       PHE  16   9.362   7.181   2.356
  120    HZ   PHE  16           HZ       PHE  16   9.824   8.798   4.137
  121    H    HIS  17           H        HIS  17   4.740   4.264   7.326
  122    HA   HIS  17           HA       HIS  17   3.010   2.068   6.434
  123    HB2  HIS  17          2HB       HIS  17   3.900   1.819   8.769
  124    HB3  HIS  17          1HB       HIS  17   3.051   3.295   9.213
  125    HD1  HIS  17          1HD       HIS  17   2.502  -0.346   8.561
  126    HD2  HIS  17          2HD       HIS  17   0.245   3.043   9.415
  127    HE1  HIS  17          1HE       HIS  17   0.189  -1.172   9.103
  128    H    LYS  18           H        LYS  18   2.680   5.175   8.146
  129    HA   LYS  18           HA       LYS  18  -0.003   5.514   7.353
  130    HB2  LYS  18          2HB       LYS  18   0.882   6.568   9.362
  131    HB3  LYS  18          1HB       LYS  18   1.991   7.527   8.398
  132    HG2  LYS  18          2HG       LYS  18   0.185   8.772   7.448
  133    HG3  LYS  18          1HG       LYS  18  -1.008   7.726   8.227
  134    HD2  LYS  18          2HD       LYS  18  -0.160   8.434  10.416
  135    HD3  LYS  18          1HD       LYS  18   0.986   9.511   9.618
  136    HE2  LYS  18          2HE       LYS  18  -0.802  10.823   8.705
  137    HE3  LYS  18          1HE       LYS  18  -2.004   9.675   9.286
  138    HZ1  LYS  18          1HZ       LYS  18  -1.373  10.202  11.536
  139    HZ2  LYS  18          2HZ       LYS  18  -1.854  11.612  10.732
  140    HZ3  LYS  18          3HZ       LYS  18  -0.220  11.310  11.010
  141    H    LYS  19           H        LYS  19   3.026   6.864   6.104
  142    HA   LYS  19           HA       LYS  19   1.771   8.416   4.098
  143    HB2  LYS  19          2HB       LYS  19   4.100   8.840   4.786
  144    HB3  LYS  19          1HB       LYS  19   4.586   7.288   4.127
  145    HG2  LYS  19          2HG       LYS  19   3.987   8.049   1.880
  146    HG3  LYS  19          1HG       LYS  19   3.491   9.606   2.542
  147    HD2  LYS  19          2HD       LYS  19   5.760  10.031   3.300
  148    HD3  LYS  19          1HD       LYS  19   6.272   8.446   2.721
  149    HE2  LYS  19          2HE       LYS  19   6.912  10.174   1.128
  150    HE3  LYS  19          1HE       LYS  19   5.695   9.108   0.430
  151    HZ1  LYS  19          1HZ       LYS  19   5.249  11.417  -0.060
  152    HZ2  LYS  19          2HZ       LYS  19   5.179  11.802   1.566
  153    HZ3  LYS  19          3HZ       LYS  19   4.014  10.783   0.887
  154    H    CYS  20           H        CYS  20   2.824   5.098   4.221
  155    HA   CYS  20           HA       CYS  20   2.457   4.487   1.461
  156    HB2  CYS  20          2HB       CYS  20   3.795   3.041   2.935
  157    HB3  CYS  20          1HB       CYS  20   2.376   2.692   3.905
  158    H    ASN  21           H        ASN  21   0.444   4.275   4.333
  159    HA   ASN  21           HA       ASN  21  -1.844   3.149   3.250
  160    HB2  ASN  21          2HB       ASN  21  -1.516   3.411   5.653
  161    HB3  ASN  21          1HB       ASN  21  -1.571   5.161   5.493
  162   HD21  ASN  21          1HD2      ASN  21  -3.558   6.180   5.294
  163   HD22  ASN  21          2HD2      ASN  21  -5.036   5.343   5.533
  164    H    HIS  22           H        HIS  22  -1.007   6.575   3.623
  165    HA   HIS  22           HA       HIS  22  -3.348   7.416   2.260
  166    HB2  HIS  22          2HB       HIS  22  -0.862   8.927   3.017
  167    HB3  HIS  22          1HB       HIS  22  -2.209   9.674   2.166
  168    HD1  HIS  22          1HD       HIS  22  -4.544   9.722   3.539
  169    HD2  HIS  22          2HD       HIS  22  -1.132   8.725   5.687
  170    HE1  HIS  22          1HE       HIS  22  -5.139  10.038   5.948
  171    H    TRP  23           H        TRP  23  -0.150   6.593   1.201
  172    HA   TRP  23           HA       TRP  23  -0.184   7.733  -1.364
  173    HB2  TRP  23          2HB       TRP  23   1.777   6.562  -0.225
  174    HB3  TRP  23          1HB       TRP  23   1.000   5.040  -0.618
  175    HD1  TRP  23           HD       TRP  23   0.429   5.027  -3.572
  176    HE1  TRP  23          1HE       TRP  23   2.213   5.454  -5.383
  177    HE3  TRP  23          3HE       TRP  23   3.900   7.471  -0.726
  178    HZ2  TRP  23          2HZ       TRP  23   4.769   6.633  -5.561
  179    HZ3  TRP  23          3HZ       TRP  23   5.993   8.196  -1.793
  180    HH2  TRP  23           HH       TRP  23   6.410   7.783  -4.159
  181    H    CYS  24           H        CYS  24  -1.027   4.471  -0.289
  182    HA   CYS  24           HA       CYS  24  -2.137   3.601  -2.711
  183    HB2  CYS  24          2HB       CYS  24  -2.597   2.630   0.106
  184    HB3  CYS  24          1HB       CYS  24  -3.031   1.739  -1.347
  185    H    MET  25           H        MET  25  -3.557   5.128   0.131
  186    HA   MET  25           HA       MET  25  -6.284   4.880  -0.435
  187    HB2  MET  25          2HB       MET  25  -5.239   5.740   1.696
  188    HB3  MET  25          1HB       MET  25  -4.888   7.230   0.847
  189    HG2  MET  25          2HG       MET  25  -6.840   7.552   2.185
  190    HG3  MET  25          1HG       MET  25  -7.303   7.566   0.485
  191    HE1  MET  25          1HE       MET  25  -6.467   4.409   2.771
  192    HE2  MET  25          2HE       MET  25  -8.076   4.051   3.394
  193    HE3  MET  25          3HE       MET  25  -7.274   5.556   3.837
  194    H    GLU  26           H        GLU  26  -3.901   7.252  -1.452
  195    HA   GLU  26           HA       GLU  26  -5.763   8.900  -2.864
  196    HB2  GLU  26          2HB       GLU  26  -3.708   9.735  -1.767
  197    HB3  GLU  26          1HB       GLU  26  -2.750   8.816  -2.908
  198    HG2  GLU  26          2HG       GLU  26  -3.723  10.169  -4.734
  199    HG3  GLU  26          1HG       GLU  26  -4.551  11.139  -3.515
  200    H    LYS  27           H        LYS  27  -3.272   6.550  -3.698
  201    HA   LYS  27           HA       LYS  27  -3.277   6.859  -6.459
  202    HB2  LYS  27          2HB       LYS  27  -1.500   5.724  -5.239
  203    HB3  LYS  27          1HB       LYS  27  -2.597   4.421  -4.821
  204    HG2  LYS  27          2HG       LYS  27  -1.164   3.698  -6.614
  205    HG3  LYS  27          1HG       LYS  27  -2.810   3.880  -7.216
  206    HD2  LYS  27          2HD       LYS  27  -2.238   6.050  -8.165
  207    HD3  LYS  27          1HD       LYS  27  -0.589   5.886  -7.566
  208    HE2  LYS  27          2HE       LYS  27  -1.971   4.137  -9.605
  209    HE3  LYS  27          1HE       LYS  27  -0.672   5.290  -9.904
  210    HZ1  LYS  27          1HZ       LYS  27   0.767   3.887  -8.458
  211    HZ2  LYS  27          2HZ       LYS  27   0.225   3.127  -9.846
  212    HZ3  LYS  27          3HZ       LYS  27  -0.476   2.738  -8.385
  213    H    GLU  28           H        GLU  28  -4.896   4.224  -4.617
  214    HA   GLU  28           HA       GLU  28  -6.677   3.969  -6.952
  215    HB2  GLU  28          2HB       GLU  28  -5.310   1.799  -5.454
  216    HB3  GLU  28          1HB       GLU  28  -6.708   1.471  -6.440
  217    HG2  GLU  28          2HG       GLU  28  -5.332   2.527  -8.348
  218    HG3  GLU  28          1HG       GLU  28  -3.973   2.386  -7.230
  219    H    ASP  29           H        ASP  29  -6.736   4.833  -3.900
  220    HA   ASP  29           HA       ASP  29  -8.222   4.825  -2.189
  221    HB2  ASP  29          2HB       ASP  29  -9.926   5.382  -3.944
  222    HB3  ASP  29          1HB       ASP  29 -10.193   3.669  -4.212
  223    H    ALA  30           H        ALA  30  -6.826   3.316  -1.345
  224    HA   ALA  30           HA       ALA  30  -7.684   0.534  -1.416
  225    HB1  ALA  30          1HB       ALA  30  -5.501   0.066  -0.369
  226    HB2  ALA  30          2HB       ALA  30  -5.155   1.800  -0.340
  227    HB3  ALA  30          3HB       ALA  30  -5.343   0.959  -1.880
  228    H    LYS  31           H        LYS  31  -7.419  -0.567   0.785
  229    HA   LYS  31           HA       LYS  31  -9.026   0.928   2.643
  230    HB2  LYS  31          2HB       LYS  31  -7.990  -1.904   2.606
  231    HB3  LYS  31          1HB       LYS  31  -8.798  -1.235   4.014
  232    HG2  LYS  31          2HG       LYS  31 -10.021  -1.387   1.267
  233    HG3  LYS  31          1HG       LYS  31 -10.279  -2.571   2.557
  234    HD2  LYS  31          2HD       LYS  31 -11.218  -0.875   3.987
  235    HD3  LYS  31          1HD       LYS  31 -10.878   0.374   2.798
  236    HE2  LYS  31          2HE       LYS  31 -12.440  -0.690   1.251
  237    HE3  LYS  31          1HE       LYS  31 -12.769  -1.943   2.445
  238    HZ1  LYS  31          1HZ       LYS  31 -14.472  -0.217   2.483
  239    HZ2  LYS  31          2HZ       LYS  31 -13.330   0.963   2.809
  240    HZ3  LYS  31          3HZ       LYS  31 -13.630  -0.250   3.940
  241    H    TYR  32           H        TYR  32  -5.814  -0.472   2.499
  242    HA   TYR  32           HA       TYR  32  -4.784   1.585   4.098
  243    HB2  TYR  32          2HB       TYR  32  -3.840  -0.046   5.864
  244    HB3  TYR  32          1HB       TYR  32  -5.502   0.492   6.051
  245    HD1  TYR  32          1HD       TYR  32  -7.325  -1.058   5.757
  246    HD2  TYR  32          2HD       TYR  32  -3.305  -2.360   5.315
  247    HE1  TYR  32          1HE       TYR  32  -8.087  -3.361   5.870
  248    HE2  TYR  32          2HE       TYR  32  -4.025  -4.672   5.426
  249    HH   TYR  32           HH       TYR  32  -5.971  -5.994   6.256
  250    H    GLY  33           H        GLY  33  -2.610   1.630   4.150
  251    HA2  GLY  33          2HA       GLY  33  -1.305  -0.192   2.259
  252    HA3  GLY  33          1HA       GLY  33  -0.772   1.462   2.583
  253    H    SER  34           H        SER  34   0.653  -1.101   2.899
  254    HA   SER  34           HA       SER  34   1.604  -0.580   5.569
  255    HB2  SER  34          2HB       SER  34   0.573  -3.329   4.749
  256    HB3  SER  34          1HB       SER  34   1.423  -2.958   6.253
  257    HG   SER  34           HG       SER  34  -0.567  -1.263   5.954
  258    H    CYS  35           H        CYS  35   3.750  -1.387   5.852
  259    HA   CYS  35           HA       CYS  35   5.130  -1.652   3.341
  260    HB2  CYS  35          2HB       CYS  35   6.084  -0.153   5.005
  261    HB3  CYS  35          1HB       CYS  35   6.138  -1.471   6.178
  262    H    SER  36           H        SER  36   6.062  -3.470   2.609
  263    HA   SER  36           HA       SER  36   6.455  -5.646   4.457
  264    HB2  SER  36          2HB       SER  36   4.221  -5.984   3.307
  265    HB3  SER  36          1HB       SER  36   5.082  -6.005   1.770
  266    HG   SER  36           HG       SER  36   4.857  -8.087   2.387
  267    H    HIS  37           H        HIS  37   8.435  -6.411   4.145
  268    HA   HIS  37           HA       HIS  37  10.489  -6.804   3.336
  269    HB2  HIS  37          2HB       HIS  37   9.192  -6.533   0.603
  270    HB3  HIS  37          1HB       HIS  37  10.808  -7.165   0.888
  271    HD1  HIS  37          1HD       HIS  37  10.970  -9.647   1.638
  272    HD2  HIS  37          2HD       HIS  37   7.083  -8.201   1.422
  273    HE1  HIS  37          1HE       HIS  37   9.473 -11.650   1.890
  274    H    GLY  38           H        GLY  38   9.299  -3.917   3.491
  275    HA2  GLY  38          2HA       GLY  38  10.643  -1.995   3.698
  276    HA3  GLY  38          1HA       GLY  38  11.758  -2.671   2.518
  277    H    ASP  39           H        ASP  39   8.577  -3.085   1.606
  278    HA   ASP  39           HA       ASP  39   8.644  -0.679  -0.066
  279    HB2  ASP  39          2HB       ASP  39   8.027  -3.493  -0.894
  280    HB3  ASP  39          1HB       ASP  39   7.517  -2.113  -1.856
  281    H    CYS  40           H        CYS  40   6.636  -0.015  -0.836
  282    HA   CYS  40           HA       CYS  40   4.586  -0.187   1.195
  283    HB2  CYS  40          2HB       CYS  40   5.241   1.983   0.281
  284    HB3  CYS  40          1HB       CYS  40   4.782   1.463  -1.331
  285    H    TYR  41           H        TYR  41   3.105  -1.777   1.135
  286    HA   TYR  41           HA       TYR  41   2.146  -2.774  -1.450
  287    HB2  TYR  41          2HB       TYR  41   2.169  -3.983   1.323
  288    HB3  TYR  41          1HB       TYR  41   1.160  -4.624   0.043
  289    HD1  TYR  41          1HD       TYR  41   4.731  -3.458  -0.136
  290    HD2  TYR  41          2HD       TYR  41   2.031  -6.740  -0.346
  291    HE1  TYR  41          1HE       TYR  41   6.572  -4.938  -0.777
  292    HE2  TYR  41          2HE       TYR  41   3.866  -8.220  -0.992
  293    HH   TYR  41           HH       TYR  41   6.125  -8.097  -1.976
  294    H    CYS  42           H        CYS  42   0.038  -2.537  -1.948
  295    HA   CYS  42           HA       CYS  42  -1.565  -0.886  -0.123
  296    HB2  CYS  42          2HB       CYS  42  -1.967  -1.399  -3.081
  297    HB3  CYS  42          1HB       CYS  42  -2.855  -0.265  -2.086
  298    H    TYR  43           H        TYR  43  -3.195  -1.828   0.941
  299    HA   TYR  43           HA       TYR  43  -4.108  -4.421  -0.022
  300    HB2  TYR  43          2HB       TYR  43  -4.206  -3.209   2.751
  301    HB3  TYR  43          1HB       TYR  43  -4.924  -4.757   2.316
  302    HD1  TYR  43          1HD       TYR  43  -3.646  -6.707   2.282
  303    HD2  TYR  43          2HD       TYR  43  -1.668  -2.955   2.505
  304    HE1  TYR  43          1HE       TYR  43  -1.524  -7.854   2.678
  305    HE2  TYR  43          2HE       TYR  43   0.466  -4.095   2.887
  306    HH   TYR  43           HH       TYR  43   0.919  -7.342   2.317
  307    H    TYR  44           H        TYR  44  -6.027  -4.703  -0.699
  308    HA   TYR  44           HA       TYR  44  -8.036  -2.569  -0.422
  309    HB2  TYR  44          2HB       TYR  44  -7.644  -4.546  -2.702
  310    HB3  TYR  44          1HB       TYR  44  -8.851  -3.270  -2.633
  311    HD1  TYR  44          1HD       TYR  44  -8.247  -0.975  -3.083
  312    HD2  TYR  44          2HD       TYR  44  -5.282  -4.023  -3.115
  313    HE1  TYR  44          1HE       TYR  44  -6.666   0.571  -4.118
  314    HE2  TYR  44          2HE       TYR  44  -3.698  -2.487  -4.144
  315    HH   TYR  44           HH       TYR  44  -3.893  -0.280  -5.633
  316    H    HIS  45           H        HIS  45 -10.296  -3.633  -0.694
  317    HA   HIS  45           HA       HIS  45 -10.182  -6.170   0.743
  318    HB2  HIS  45          2HB       HIS  45 -11.453  -4.181   1.755
  319    HB3  HIS  45          1HB       HIS  45 -12.622  -4.417   0.455
  320    HD1  HIS  45          1HD       HIS  45 -14.250  -6.445   0.685
  321    HD2  HIS  45          2HD       HIS  45 -11.352  -6.189   3.653
  322    HE1  HIS  45          1HE       HIS  45 -14.901  -8.123   2.445
  323    H    CYS  46           H        CYS  46 -10.161  -7.729  -0.700
  324    HA   CYS  46           HA       CYS  46 -11.910  -7.553  -3.032
  325    HB2  CYS  46          2HB       CYS  46  -9.594  -9.433  -2.484
  326    HB3  CYS  46          1HB       CYS  46 -10.538  -9.370  -3.963
  Start of MODEL   15
    1    H1   ALA   1           H        ALA   1 -11.852 -11.425   7.141
    2    HA   ALA   1           HA       ALA   1 -13.078  -8.991   6.205
    3    HB1  ALA   1          1HB       ALA   1 -11.287  -7.469   6.809
    4    HB2  ALA   1          2HB       ALA   1 -10.484  -8.751   7.713
    5    HB3  ALA   1          3HB       ALA   1 -12.045  -8.131   8.259
    6    H    LYS   2           H        LYS   2 -12.463  -8.625   4.152
    7    HA   LYS   2           HA       LYS   2 -10.515 -10.456   3.044
    8    HB2  LYS   2          2HB       LYS   2 -12.401  -8.529   1.709
    9    HB3  LYS   2          1HB       LYS   2 -11.320  -9.625   0.868
   10    HG2  LYS   2          2HG       LYS   2 -12.502 -11.541   1.825
   11    HG3  LYS   2          1HG       LYS   2 -13.589 -10.440   2.675
   12    HD2  LYS   2          2HD       LYS   2 -13.270 -10.591  -0.331
   13    HD3  LYS   2          1HD       LYS   2 -14.565 -11.349   0.586
   14    HE2  LYS   2          2HE       LYS   2 -15.362  -9.187   1.333
   15    HE3  LYS   2          1HE       LYS   2 -14.009  -8.376   0.548
   16    HZ1  LYS   2          1HZ       LYS   2 -14.830  -9.071  -1.569
   17    HZ2  LYS   2          2HZ       LYS   2 -16.052  -8.256  -0.742
   18    HZ3  LYS   2          3HZ       LYS   2 -16.103  -9.931  -0.855
   19    H    HIS   3           H        HIS   3  -8.492  -9.814   3.022
   20    HA   HIS   3           HA       HIS   3  -7.916  -7.034   2.328
   21    HB2  HIS   3          2HB       HIS   3  -6.379  -8.853   4.194
   22    HB3  HIS   3          1HB       HIS   3  -5.788  -7.303   3.614
   23    HD1  HIS   3          1HD       HIS   3  -7.307  -8.675   6.491
   24    HD2  HIS   3          2HD       HIS   3  -7.847  -5.204   4.287
   25    HE1  HIS   3          1HE       HIS   3  -8.432  -7.044   8.034
   26    H    CYS   4           H        CYS   4  -7.315  -7.050   0.305
   27    HA   CYS   4           HA       CYS   4  -5.604  -9.202  -0.599
   28    HB2  CYS   4          2HB       CYS   4  -7.404  -7.268  -1.996
   29    HB3  CYS   4          1HB       CYS   4  -6.105  -8.012  -2.900
   30    H    GLY   5           H        GLY   5  -3.677  -8.671   0.212
   31    HA2  GLY   5          2HA       GLY   5  -2.544  -6.058   0.015
   32    HA3  GLY   5          1HA       GLY   5  -1.709  -7.538   0.472
   33    H    LYS   6           H        LYS   6  -2.311  -5.307  -1.954
   34    HA   LYS   6           HA       LYS   6  -1.541  -6.944  -4.170
   35    HB2  LYS   6          2HB       LYS   6  -3.034  -4.903  -4.166
   36    HB3  LYS   6          1HB       LYS   6  -1.568  -3.942  -4.018
   37    HG2  LYS   6          2HG       LYS   6  -0.787  -4.914  -6.152
   38    HG3  LYS   6          1HG       LYS   6  -2.324  -5.783  -6.268
   39    HD2  LYS   6          2HD       LYS   6  -3.464  -3.538  -6.061
   40    HD3  LYS   6          1HD       LYS   6  -1.873  -2.822  -6.275
   41    HE2  LYS   6          2HE       LYS   6  -3.063  -2.875  -8.389
   42    HE3  LYS   6          1HE       LYS   6  -1.659  -3.936  -8.448
   43    HZ1  LYS   6          1HZ       LYS   6  -4.445  -4.841  -7.950
   44    HZ2  LYS   6          2HZ       LYS   6  -3.117  -5.849  -8.148
   45    HZ3  LYS   6          3HZ       LYS   6  -3.682  -4.913  -9.430
   46    H    HIS   7           H        HIS   7   0.405  -7.057  -5.070
   47    HA   HIS   7           HA       HIS   7   2.672  -6.579  -3.422
   48    HB2  HIS   7          2HB       HIS   7   2.414  -8.494  -5.087
   49    HB3  HIS   7          1HB       HIS   7   2.703  -7.320  -6.362
   50    HD1  HIS   7          1HD       HIS   7   4.476  -9.727  -4.342
   51    HD2  HIS   7          2HD       HIS   7   5.376  -5.996  -5.945
   52    HE1  HIS   7          1HE       HIS   7   6.964  -9.545  -4.315
   53    H    SER   8           H        SER   8   4.247  -5.075  -3.600
   54    HA   SER   8           HA       SER   8   3.686  -2.516  -4.452
   55    HB2  SER   8          2HB       SER   8   6.412  -3.710  -4.043
   56    HB3  SER   8          1HB       SER   8   5.881  -2.057  -3.722
   57    HG   SER   8           HG       SER   8   4.440  -2.957  -2.160
   58    H    LYS   9           H        LYS   9   3.243  -2.307  -6.626
   59    HA   LYS   9           HA       LYS   9   5.017  -3.379  -8.626
   60    HB2  LYS   9          2HB       LYS   9   2.715  -1.428  -8.858
   61    HB3  LYS   9          1HB       LYS   9   3.616  -2.058 -10.232
   62    HG2  LYS   9          2HG       LYS   9   2.926  -4.332  -9.632
   63    HG3  LYS   9          1HG       LYS   9   2.009  -3.685  -8.275
   64    HD2  LYS   9          2HD       LYS   9   0.572  -2.459  -9.780
   65    HD3  LYS   9          1HD       LYS   9   1.538  -2.969 -11.164
   66    HE2  LYS   9          2HE       LYS   9   0.019  -4.813  -9.325
   67    HE3  LYS   9          1HE       LYS   9  -0.537  -4.287 -10.914
   68    HZ1  LYS   9          1HZ       LYS   9   1.889  -5.922 -10.344
   69    HZ2  LYS   9          2HZ       LYS   9   1.456  -5.362 -11.855
   70    HZ3  LYS   9          3HZ       LYS   9   0.464  -6.464 -11.057
   71    H    SER  10           H        SER  10   4.430  -0.394  -6.997
   72    HA   SER  10           HA       SER  10   6.707   0.780  -8.288
   73    HB2  SER  10          2HB       SER  10   5.944   2.765  -6.789
   74    HB3  SER  10          1HB       SER  10   4.925   2.328  -8.163
   75    HG   SER  10           HG       SER  10   4.137   2.554  -5.744
   76    H    TRP  11           H        TRP  11   8.293  -0.570  -7.407
   77    HA   TRP  11           HA       TRP  11   8.487  -0.696  -4.495
   78    HB2  TRP  11          2HB       TRP  11  10.139  -2.432  -4.767
   79    HB3  TRP  11          1HB       TRP  11   8.830  -2.789  -5.882
   80    HD1  TRP  11           HD       TRP  11  12.499  -1.730  -5.791
   81    HE1  TRP  11          1HE       TRP  11  13.526  -2.028  -8.122
   82    HE3  TRP  11          3HE       TRP  11   8.265  -2.864  -8.432
   83    HZ2  TRP  11          2HZ       TRP  11  12.685  -2.655 -10.712
   84    HZ3  TRP  11          3HZ       TRP  11   8.493  -3.308 -10.848
   85    HH2  TRP  11           HH       TRP  11  10.654  -3.202 -11.948
   86    H    ASN  12           H        ASN  12   9.826   0.895  -7.205
   87    HA   ASN  12           HA       ASN  12  12.255   1.651  -5.894
   88    HB2  ASN  12          2HB       ASN  12  12.125   1.410  -8.376
   89    HB3  ASN  12          1HB       ASN  12  11.028   2.779  -8.432
   90   HD21  ASN  12          1HD2      ASN  12  13.696   2.337  -9.629
   91   HD22  ASN  12          2HD2      ASN  12  14.657   3.672  -9.109
   92    H    GLY  13           H        GLY  13  12.030   2.767  -4.180
   93    HA2  GLY  13          2HA       GLY  13  11.702   5.419  -3.982
   94    HA3  GLY  13          1HA       GLY  13  10.065   4.781  -3.753
   95    H    LYS  14           H        LYS  14  10.866   5.884  -1.510
   96    HA   LYS  14           HA       LYS  14  12.102   3.703  -0.024
   97    HB2  LYS  14          2HB       LYS  14  13.041   6.039   0.163
   98    HB3  LYS  14          1HB       LYS  14  11.532   6.474   0.967
   99    HG2  LYS  14          2HG       LYS  14  13.221   6.081   2.620
  100    HG3  LYS  14          1HG       LYS  14  11.998   4.821   2.715
  101    HD2  LYS  14          2HD       LYS  14  14.183   3.816   2.943
  102    HD3  LYS  14          1HD       LYS  14  13.492   3.318   1.407
  103    HE2  LYS  14          2HE       LYS  14  15.824   3.852   1.112
  104    HE3  LYS  14          1HE       LYS  14  14.865   5.066   0.274
  105    HZ1  LYS  14          1HZ       LYS  14  16.179   5.364   2.923
  106    HZ2  LYS  14          2HZ       LYS  14  15.226   6.546   2.207
  107    HZ3  LYS  14          3HZ       LYS  14  16.669   6.073   1.484
  108    H    CYS  15           H        CYS  15  10.957   2.537   1.251
  109    HA   CYS  15           HA       CYS  15   8.106   2.816   1.235
  110    HB2  CYS  15          2HB       CYS  15   9.181   0.643   0.934
  111    HB3  CYS  15          1HB       CYS  15   9.866   0.759   2.549
  112    H    PHE  16           H        PHE  16   6.889   3.703   2.719
  113    HA   PHE  16           HA       PHE  16   7.666   3.628   5.506
  114    HB2  PHE  16          2HB       PHE  16   6.736   6.135   4.062
  115    HB3  PHE  16          1HB       PHE  16   6.737   5.949   5.809
  116    HD1  PHE  16          1HD       PHE  16   8.676   6.723   2.874
  117    HD2  PHE  16          2HD       PHE  16   8.912   5.739   7.006
  118    HE1  PHE  16          1HE       PHE  16  10.968   7.595   2.951
  119    HE2  PHE  16          2HE       PHE  16  11.202   6.607   7.087
  120    HZ   PHE  16           HZ       PHE  16  12.238   7.541   5.061
  121    H    HIS  17           H        HIS  17   5.908   3.445   6.848
  122    HA   HIS  17           HA       HIS  17   3.792   1.944   5.802
  123    HB2  HIS  17          2HB       HIS  17   4.778   1.853   8.123
  124    HB3  HIS  17          1HB       HIS  17   3.833   3.283   8.511
  125    HD1  HIS  17          1HD       HIS  17   3.716  -0.285   8.814
  126    HD2  HIS  17          2HD       HIS  17   0.907   2.689   8.050
  127    HE1  HIS  17          1HE       HIS  17   1.478  -1.290   9.347
  128    H    LYS  18           H        LYS  18   3.513   5.112   7.465
  129    HA   LYS  18           HA       LYS  18   0.815   5.520   6.794
  130    HB2  LYS  18          2HB       LYS  18   2.929   7.553   7.426
  131    HB3  LYS  18          1HB       LYS  18   1.220   7.920   7.309
  132    HG2  LYS  18          2HG       LYS  18   0.795   6.368   9.198
  133    HG3  LYS  18          1HG       LYS  18   2.537   6.118   9.335
  134    HD2  LYS  18          2HD       LYS  18   1.152   8.797   9.576
  135    HD3  LYS  18          1HD       LYS  18   1.676   7.811  10.939
  136    HE2  LYS  18          2HE       LYS  18   3.971   8.035  10.307
  137    HE3  LYS  18          1HE       LYS  18   3.548   8.806   8.784
  138    HZ1  LYS  18          1HZ       LYS  18   3.049   9.971  11.473
  139    HZ2  LYS  18          2HZ       LYS  18   2.740  10.693   9.992
  140    HZ3  LYS  18          3HZ       LYS  18   4.323  10.364  10.436
  141    H    LYS  19           H        LYS  19   3.761   6.496   5.198
  142    HA   LYS  19           HA       LYS  19   2.899   8.235   3.249
  143    HB2  LYS  19          2HB       LYS  19   5.252   7.703   3.557
  144    HB3  LYS  19          1HB       LYS  19   4.951   6.046   3.051
  145    HG2  LYS  19          2HG       LYS  19   4.294   6.904   0.818
  146    HG3  LYS  19          1HG       LYS  19   4.792   8.511   1.341
  147    HD2  LYS  19          2HD       LYS  19   7.046   7.762   1.667
  148    HD3  LYS  19          1HD       LYS  19   6.582   6.090   1.332
  149    HE2  LYS  19          2HE       LYS  19   5.928   6.741  -0.933
  150    HE3  LYS  19          1HE       LYS  19   6.414   8.398  -0.585
  151    HZ1  LYS  19          1HZ       LYS  19   8.196   6.031  -0.542
  152    HZ2  LYS  19          2HZ       LYS  19   8.675   7.629  -0.270
  153    HZ3  LYS  19          3HZ       LYS  19   8.126   7.161  -1.789
  154    H    CYS  20           H        CYS  20   3.363   4.740   2.771
  155    HA   CYS  20           HA       CYS  20   2.007   4.885   0.307
  156    HB2  CYS  20          2HB       CYS  20   3.040   2.493   1.833
  157    HB3  CYS  20          1HB       CYS  20   2.441   2.471   0.169
  158    H    ASN  21           H        ASN  21   1.003   4.287   3.563
  159    HA   ASN  21           HA       ASN  21  -1.384   2.902   3.037
  160    HB2  ASN  21          2HB       ASN  21  -0.490   3.169   5.319
  161    HB3  ASN  21          1HB       ASN  21  -0.792   4.904   5.231
  162   HD21  ASN  21          1HD2      ASN  21  -2.234   4.917   6.913
  163   HD22  ASN  21          2HD2      ASN  21  -3.806   4.201   6.800
  164    H    HIS  22           H        HIS  22  -0.861   6.358   3.633
  165    HA   HIS  22           HA       HIS  22  -3.513   7.029   2.914
  166    HB2  HIS  22          2HB       HIS  22  -1.077   8.765   3.304
  167    HB3  HIS  22          1HB       HIS  22  -2.675   9.415   2.954
  168    HD1  HIS  22          1HD       HIS  22  -4.324   9.560   4.927
  169    HD2  HIS  22          2HD       HIS  22  -0.813   7.538   5.823
  170    HE1  HIS  22          1HE       HIS  22  -4.370   9.181   7.421
  171    H    TRP  23           H        TRP  23  -0.504   6.913   1.143
  172    HA   TRP  23           HA       TRP  23  -1.342   8.154  -1.209
  173    HB2  TRP  23          2HB       TRP  23   0.990   7.562  -0.952
  174    HB3  TRP  23          1HB       TRP  23   0.578   5.861  -0.780
  175    HD1  TRP  23           HD       TRP  23   0.665   4.433  -2.915
  176    HE1  TRP  23          1HE       TRP  23   0.909   4.901  -5.428
  177    HE3  TRP  23          3HE       TRP  23   0.298   9.531  -2.829
  178    HZ2  TRP  23          2HZ       TRP  23   0.947   7.141  -7.153
  179    HZ3  TRP  23          3HZ       TRP  23   0.447  10.756  -4.964
  180    HH2  TRP  23           HH       TRP  23   0.762   9.579  -7.072
  181    H    CYS  24           H        CYS  24  -1.290   4.646  -0.566
  182    HA   CYS  24           HA       CYS  24  -2.677   3.965  -2.879
  183    HB2  CYS  24          2HB       CYS  24  -2.262   2.522  -0.288
  184    HB3  CYS  24          1HB       CYS  24  -3.062   1.751  -1.642
  185    H    MET  25           H        MET  25  -3.843   4.758   0.313
  186    HA   MET  25           HA       MET  25  -6.491   3.919   0.146
  187    HB2  MET  25          2HB       MET  25  -5.398   4.663   2.190
  188    HB3  MET  25          1HB       MET  25  -5.323   6.302   1.571
  189    HG2  MET  25          2HG       MET  25  -7.782   6.384   1.559
  190    HG3  MET  25          1HG       MET  25  -7.819   4.759   2.245
  191    HE1  MET  25          1HE       MET  25  -5.285   4.885   4.244
  192    HE2  MET  25          2HE       MET  25  -6.835   4.143   4.643
  193    HE3  MET  25          3HE       MET  25  -6.116   5.327   5.733
  194    H    GLU  26           H        GLU  26  -4.972   6.896  -0.992
  195    HA   GLU  26           HA       GLU  26  -7.567   7.899  -1.873
  196    HB2  GLU  26          2HB       GLU  26  -5.872   9.331  -0.659
  197    HB3  GLU  26          1HB       GLU  26  -4.863   9.224  -2.092
  198    HG2  GLU  26          2HG       GLU  26  -6.083  11.311  -2.041
  199    HG3  GLU  26          1HG       GLU  26  -6.608  10.317  -3.401
  200    H    LYS  27           H        LYS  27  -4.442   6.932  -3.124
  201    HA   LYS  27           HA       LYS  27  -4.603   7.559  -5.812
  202    HB2  LYS  27          2HB       LYS  27  -2.550   6.925  -4.777
  203    HB3  LYS  27          1HB       LYS  27  -3.189   5.369  -4.321
  204    HG2  LYS  27          2HG       LYS  27  -1.553   5.178  -6.089
  205    HG3  LYS  27          1HG       LYS  27  -3.132   4.655  -6.651
  206    HD2  LYS  27          2HD       LYS  27  -3.422   6.665  -7.900
  207    HD3  LYS  27          1HD       LYS  27  -2.000   7.401  -7.149
  208    HE2  LYS  27          2HE       LYS  27  -1.512   6.600  -9.419
  209    HE3  LYS  27          1HE       LYS  27  -0.554   5.760  -8.208
  210    HZ1  LYS  27          1HZ       LYS  27  -2.136   3.860  -8.397
  211    HZ2  LYS  27          2HZ       LYS  27  -1.379   4.239  -9.842
  212    HZ3  LYS  27          3HZ       LYS  27  -2.959   4.712  -9.602
  213    H    GLU  28           H        GLU  28  -5.418   4.409  -4.331
  214    HA   GLU  28           HA       GLU  28  -7.038   3.822  -6.722
  215    HB2  GLU  28          2HB       GLU  28  -4.856   2.252  -5.458
  216    HB3  GLU  28          1HB       GLU  28  -6.117   1.404  -6.324
  217    HG2  GLU  28          2HG       GLU  28  -5.533   2.428  -8.357
  218    HG3  GLU  28          1HG       GLU  28  -4.598   3.684  -7.562
  219    H    ASP  29           H        ASP  29  -7.401   4.583  -3.820
  220    HA   ASP  29           HA       ASP  29  -8.618   4.140  -2.031
  221    HB2  ASP  29          2HB       ASP  29 -10.405   3.030  -4.160
  222    HB3  ASP  29          1HB       ASP  29 -10.865   2.887  -2.470
  223    H    ALA  30           H        ALA  30  -6.758   2.856  -1.545
  224    HA   ALA  30           HA       ALA  30  -7.322   0.043  -1.209
  225    HB1  ALA  30          1HB       ALA  30  -5.056   0.753  -1.711
  226    HB2  ALA  30          2HB       ALA  30  -5.124  -0.042  -0.133
  227    HB3  ALA  30          3HB       ALA  30  -5.008   1.720  -0.236
  228    H    LYS  31           H        LYS  31  -7.341  -0.881   0.819
  229    HA   LYS  31           HA       LYS  31  -8.935   0.569   2.729
  230    HB2  LYS  31          2HB       LYS  31  -7.635  -2.153   2.934
  231    HB3  LYS  31          1HB       LYS  31  -8.685  -1.472   4.164
  232    HG2  LYS  31          2HG       LYS  31 -10.499  -1.365   2.479
  233    HG3  LYS  31          1HG       LYS  31  -9.418  -2.182   1.346
  234    HD2  LYS  31          2HD       LYS  31  -9.311  -4.118   2.726
  235    HD3  LYS  31          1HD       LYS  31 -10.167  -3.291   4.027
  236    HE2  LYS  31          2HE       LYS  31 -12.131  -3.084   2.563
  237    HE3  LYS  31          1HE       LYS  31 -11.268  -3.991   1.325
  238    HZ1  LYS  31          1HZ       LYS  31 -11.170  -5.884   2.856
  239    HZ2  LYS  31          2HZ       LYS  31 -12.765  -5.398   2.594
  240    HZ3  LYS  31          3HZ       LYS  31 -11.996  -4.988   4.017
  241    H    TYR  32           H        TYR  32  -5.679  -0.798   2.718
  242    HA   TYR  32           HA       TYR  32  -4.674   1.454   4.048
  243    HB2  TYR  32          2HB       TYR  32  -3.805   0.369   6.047
  244    HB3  TYR  32          1HB       TYR  32  -5.566   0.348   6.053
  245    HD1  TYR  32          1HD       TYR  32  -6.719  -1.859   5.747
  246    HD2  TYR  32          2HD       TYR  32  -2.490  -1.569   6.075
  247    HE1  TYR  32          1HE       TYR  32  -6.593  -4.251   6.277
  248    HE2  TYR  32          2HE       TYR  32  -2.352  -3.939   6.588
  249    HH   TYR  32           HH       TYR  32  -3.692  -5.686   7.431
  250    H    GLY  33           H        GLY  33  -2.561   1.610   3.885
  251    HA2  GLY  33          2HA       GLY  33  -1.168  -0.546   2.460
  252    HA3  GLY  33          1HA       GLY  33  -0.683   1.148   2.388
  253    H    SER  34           H        SER  34   0.955  -1.074   3.129
  254    HA   SER  34           HA       SER  34   1.813  -0.108   5.721
  255    HB2  SER  34          2HB       SER  34   1.222  -3.028   5.168
  256    HB3  SER  34          1HB       SER  34   1.955  -2.384   6.636
  257    HG   SER  34           HG       SER  34  -0.242  -1.014   6.201
  258    H    CYS  35           H        CYS  35   4.014  -1.054   6.222
  259    HA   CYS  35           HA       CYS  35   5.462  -1.365   3.698
  260    HB2  CYS  35          2HB       CYS  35   5.978   0.631   5.218
  261    HB3  CYS  35          1HB       CYS  35   6.607  -0.538   6.372
  262    H    SER  36           H        SER  36   5.915  -3.429   3.326
  263    HA   SER  36           HA       SER  36   6.429  -5.146   5.639
  264    HB2  SER  36          2HB       SER  36   4.320  -5.675   4.391
  265    HB3  SER  36          1HB       SER  36   5.285  -5.934   2.943
  266    HG   SER  36           HG       SER  36   5.346  -7.883   3.626
  267    H    HIS  37           H        HIS  37   8.525  -5.295   5.784
  268    HA   HIS  37           HA       HIS  37  10.673  -5.800   5.397
  269    HB2  HIS  37          2HB       HIS  37   9.589  -7.231   2.959
  270    HB3  HIS  37          1HB       HIS  37  11.219  -7.407   3.603
  271    HD1  HIS  37          1HD       HIS  37   7.990  -8.963   3.746
  272    HD2  HIS  37          2HD       HIS  37  11.108  -8.367   6.422
  273    HE1  HIS  37          1HE       HIS  37   7.652 -10.659   5.592
  274    H    GLY  38           H        GLY  38   9.537  -3.353   4.266
  275    HA2  GLY  38          2HA       GLY  38  10.765  -1.568   3.337
  276    HA3  GLY  38          1HA       GLY  38  11.807  -2.738   2.541
  277    H    ASP  39           H        ASP  39   8.621  -3.620   2.103
  278    HA   ASP  39           HA       ASP  39   8.479  -2.136  -0.431
  279    HB2  ASP  39          2HB       ASP  39   7.558  -4.937   0.208
  280    HB3  ASP  39          1HB       ASP  39   7.124  -4.107  -1.280
  281    H    CYS  40           H        CYS  40   6.606  -1.065  -0.844
  282    HA   CYS  40           HA       CYS  40   4.714  -0.795   1.305
  283    HB2  CYS  40          2HB       CYS  40   4.889   0.537  -1.398
  284    HB3  CYS  40          1HB       CYS  40   3.621   0.866  -0.227
  285    H    TYR  41           H        TYR  41   3.369  -2.458   1.509
  286    HA   TYR  41           HA       TYR  41   2.018  -3.473  -0.871
  287    HB2  TYR  41          2HB       TYR  41   2.301  -4.565   1.918
  288    HB3  TYR  41          1HB       TYR  41   1.061  -5.164   0.827
  289    HD1  TYR  41          1HD       TYR  41   4.734  -4.825   1.267
  290    HD2  TYR  41          2HD       TYR  41   1.580  -6.711  -0.867
  291    HE1  TYR  41          1HE       TYR  41   6.330  -6.405   0.306
  292    HE2  TYR  41          2HE       TYR  41   3.171  -8.281  -1.849
  293    HH   TYR  41           HH       TYR  41   6.424  -8.526  -0.710
  294    H    CYS  42           H        CYS  42  -0.049  -3.130  -1.213
  295    HA   CYS  42           HA       CYS  42  -1.437  -1.583   0.824
  296    HB2  CYS  42          2HB       CYS  42  -1.538  -1.165  -2.171
  297    HB3  CYS  42          1HB       CYS  42  -2.491  -0.271  -0.981
  298    H    TYR  43           H        TYR  43  -3.254  -2.325   1.480
  299    HA   TYR  43           HA       TYR  43  -4.189  -4.821   0.342
  300    HB2  TYR  43          2HB       TYR  43  -4.695  -3.452   2.996
  301    HB3  TYR  43          1HB       TYR  43  -5.370  -5.021   2.535
  302    HD1  TYR  43          1HD       TYR  43  -4.034  -7.003   2.682
  303    HD2  TYR  43          2HD       TYR  43  -2.215  -3.205   3.285
  304    HE1  TYR  43          1HE       TYR  43  -2.012  -8.101   3.478
  305    HE2  TYR  43          2HE       TYR  43  -0.181  -4.294   4.080
  306    HH   TYR  43           HH       TYR  43   0.442  -6.544   5.124
  307    H    TYR  44           H        TYR  44  -5.830  -4.811  -0.956
  308    HA   TYR  44           HA       TYR  44  -7.766  -2.599  -0.856
  309    HB2  TYR  44          2HB       TYR  44  -7.086  -4.482  -3.114
  310    HB3  TYR  44          1HB       TYR  44  -8.318  -3.230  -3.178
  311    HD1  TYR  44          1HD       TYR  44  -4.751  -3.941  -3.219
  312    HD2  TYR  44          2HD       TYR  44  -7.692  -0.894  -3.287
  313    HE1  TYR  44          1HE       TYR  44  -3.061  -2.346  -3.959
  314    HE2  TYR  44          2HE       TYR  44  -6.050   0.711  -3.995
  315    HH   TYR  44           HH       TYR  44  -2.966  -0.251  -5.164
  316    H    HIS  45           H        HIS  45  -9.936  -3.161  -1.522
  317    HA   HIS  45           HA       HIS  45 -11.026  -5.382  -0.166
  318    HB2  HIS  45          2HB       HIS  45 -13.208  -4.641  -1.149
  319    HB3  HIS  45          1HB       HIS  45 -12.359  -3.345  -0.337
  320    HD1  HIS  45          1HD       HIS  45 -11.662  -1.299  -1.816
  321    HD2  HIS  45          2HD       HIS  45 -13.484  -4.373  -3.919
  322    HE1  HIS  45          1HE       HIS  45 -12.188  -0.354  -4.082
  323    H    CYS  46           H        CYS  46 -10.657  -7.359  -0.823
  324    HA   CYS  46           HA       CYS  46 -10.295  -8.287  -3.404
  325    HB2  CYS  46          2HB       CYS  46 -11.559  -9.778  -1.115
  326    HB3  CYS  46          1HB       CYS  46 -10.687 -10.464  -2.482
  Start of MODEL   16
    1    H1   ALA   1           H        ALA   1  -9.497  -9.073   9.385
    2    HA   ALA   1           HA       ALA   1 -11.467  -8.598   7.701
    3    HB1  ALA   1          1HB       ALA   1  -9.615  -6.241   7.356
    4    HB2  ALA   1          2HB       ALA   1 -11.271  -6.174   7.964
    5    HB3  ALA   1          3HB       ALA   1 -10.959  -6.660   6.295
    6    H    LYS   2           H        LYS   2 -10.927  -8.916   5.395
    7    HA   LYS   2           HA       LYS   2  -8.709 -10.717   5.217
    8    HB2  LYS   2          2HB       LYS   2 -10.665  -9.812   3.095
    9    HB3  LYS   2          1HB       LYS   2  -9.467 -11.079   2.891
   10    HG2  LYS   2          2HG       LYS   2 -11.804 -11.127   4.799
   11    HG3  LYS   2          1HG       LYS   2 -11.676 -12.014   3.280
   12    HD2  LYS   2          2HD       LYS   2  -9.706 -13.214   4.204
   13    HD3  LYS   2          1HD       LYS   2  -9.950 -12.362   5.729
   14    HE2  LYS   2          2HE       LYS   2 -11.891 -14.256   4.411
   15    HE3  LYS   2          1HE       LYS   2 -10.904 -14.593   5.830
   16    HZ1  LYS   2          1HZ       LYS   2 -12.116 -12.818   7.006
   17    HZ2  LYS   2          2HZ       LYS   2 -13.155 -14.031   6.462
   18    HZ3  LYS   2          3HZ       LYS   2 -13.083 -12.580   5.648
   19    H    HIS   3           H        HIS   3  -6.926 -10.539   3.962
   20    HA   HIS   3           HA       HIS   3  -6.196  -7.805   3.255
   21    HB2  HIS   3          2HB       HIS   3  -4.506 -10.170   4.086
   22    HB3  HIS   3          1HB       HIS   3  -3.847  -8.710   3.359
   23    HD1  HIS   3          1HD       HIS   3  -2.678  -7.511   5.216
   24    HD2  HIS   3          2HD       HIS   3  -6.366  -9.027   6.386
   25    HE1  HIS   3          1HE       HIS   3  -3.044  -6.700   7.568
   26    H    CYS   4           H        CYS   4  -6.561  -7.537   1.178
   27    HA   CYS   4           HA       CYS   4  -5.531  -9.589  -0.641
   28    HB2  CYS   4          2HB       CYS   4  -7.979  -9.161  -0.788
   29    HB3  CYS   4          1HB       CYS   4  -7.611  -7.476  -1.151
   30    H    GLY   5           H        GLY   5  -3.507  -8.869  -0.776
   31    HA2  GLY   5          2HA       GLY   5  -3.018  -5.998  -1.053
   32    HA3  GLY   5          1HA       GLY   5  -1.829  -7.197  -0.597
   33    H    LYS   6           H        LYS   6  -2.241  -5.061  -2.687
   34    HA   LYS   6           HA       LYS   6  -1.728  -6.539  -5.140
   35    HB2  LYS   6          2HB       LYS   6  -3.245  -4.603  -5.156
   36    HB3  LYS   6          1HB       LYS   6  -1.961  -3.599  -4.509
   37    HG2  LYS   6          2HG       LYS   6  -0.697  -3.852  -6.565
   38    HG3  LYS   6          1HG       LYS   6  -1.949  -4.919  -7.212
   39    HD2  LYS   6          2HD       LYS   6  -3.575  -3.130  -7.090
   40    HD3  LYS   6          1HD       LYS   6  -2.377  -2.062  -6.363
   41    HE2  LYS   6          2HE       LYS   6  -2.677  -1.595  -8.745
   42    HE3  LYS   6          1HE       LYS   6  -1.044  -2.148  -8.393
   43    HZ1  LYS   6          1HZ       LYS   6  -1.613  -4.324  -9.237
   44    HZ2  LYS   6          2HZ       LYS   6  -2.020  -3.159 -10.393
   45    HZ3  LYS   6          3HZ       LYS   6  -3.215  -3.865  -9.478
   46    H    HIS   7           H        HIS   7   0.267  -6.343  -6.242
   47    HA   HIS   7           HA       HIS   7   2.601  -6.305  -4.731
   48    HB2  HIS   7          2HB       HIS   7   2.294  -7.434  -6.960
   49    HB3  HIS   7          1HB       HIS   7   2.338  -5.851  -7.721
   50    HD1  HIS   7          1HD       HIS   7   4.630  -5.215  -8.597
   51    HD2  HIS   7          2HD       HIS   7   4.813  -7.927  -5.446
   52    HE1  HIS   7          1HE       HIS   7   7.049  -5.810  -8.338
   53    H    SER   8           H        SER   8   4.337  -4.817  -4.764
   54    HA   SER   8           HA       SER   8   3.418  -2.078  -4.565
   55    HB2  SER   8          2HB       SER   8   6.036  -3.316  -3.796
   56    HB3  SER   8          1HB       SER   8   5.364  -1.781  -3.239
   57    HG   SER   8           HG       SER   8   3.743  -2.894  -2.221
   58    H    LYS   9           H        LYS   9   4.710  -0.348  -5.400
   59    HA   LYS   9           HA       LYS   9   6.522  -1.043  -7.602
   60    HB2  LYS   9          2HB       LYS   9   4.810   1.390  -7.123
   61    HB3  LYS   9          1HB       LYS   9   6.184   1.445  -8.208
   62    HG2  LYS   9          2HG       LYS   9   3.789  -0.365  -8.488
   63    HG3  LYS   9          1HG       LYS   9   4.085   1.112  -9.408
   64    HD2  LYS   9          2HD       LYS   9   6.212   0.074 -10.243
   65    HD3  LYS   9          1HD       LYS   9   5.729  -1.425  -9.453
   66    HE2  LYS   9          2HE       LYS   9   4.250  -0.006 -11.669
   67    HE3  LYS   9          1HE       LYS   9   5.174  -1.495 -11.811
   68    HZ1  LYS   9          1HZ       LYS   9   2.854  -2.011 -11.658
   69    HZ2  LYS   9          2HZ       LYS   9   2.686  -1.097 -10.262
   70    HZ3  LYS   9          3HZ       LYS   9   3.586  -2.501 -10.216
   71    H    SER  10           H        SER  10   6.699  -0.543  -4.501
   72    HA   SER  10           HA       SER  10   8.381   1.721  -4.260
   73    HB2  SER  10          2HB       SER  10   8.551   0.808  -1.865
   74    HB3  SER  10          1HB       SER  10   6.973   1.347  -2.445
   75    HG   SER  10           HG       SER  10   7.938  -1.334  -2.324
   76    H    TRP  11           H        TRP  11   9.249  -1.000  -5.741
   77    HA   TRP  11           HA       TRP  11  11.642  -1.614  -4.349
   78    HB2  TRP  11          2HB       TRP  11  10.418  -3.071  -6.121
   79    HB3  TRP  11          1HB       TRP  11  11.237  -2.054  -7.306
   80    HD1  TRP  11           HD       TRP  11  13.793  -2.379  -7.602
   81    HE1  TRP  11          1HE       TRP  11  15.460  -4.223  -6.801
   82    HE3  TRP  11          3HE       TRP  11  10.845  -4.680  -4.161
   83    HZ2  TRP  11          2HZ       TRP  11  15.474  -6.341  -4.944
   84    HZ3  TRP  11          3HZ       TRP  11  11.740  -6.590  -2.907
   85    HH2  TRP  11           HH       TRP  11  14.007  -7.398  -3.296
   86    H    ASN  12           H        ASN  12  10.687   0.586  -6.877
   87    HA   ASN  12           HA       ASN  12  13.299   1.857  -6.615
   88    HB2  ASN  12          2HB       ASN  12  11.201   2.384  -8.761
   89    HB3  ASN  12          1HB       ASN  12  12.735   3.227  -8.621
   90   HD21  ASN  12          1HD2      ASN  12  11.132   0.430  -9.718
   91   HD22  ASN  12          2HD2      ASN  12  12.506  -0.333 -10.441
   92    H    GLY  13           H        GLY  13  12.892   2.627  -4.684
   93    HA2  GLY  13          2HA       GLY  13  12.140   5.000  -4.006
   94    HA3  GLY  13          1HA       GLY  13  10.549   4.228  -4.150
   95    H    LYS  14           H        LYS  14  10.420   4.519  -1.718
   96    HA   LYS  14           HA       LYS  14  11.670   2.203  -0.535
   97    HB2  LYS  14          2HB       LYS  14  12.959   4.346  -0.124
   98    HB3  LYS  14          1HB       LYS  14  11.549   4.902   0.758
   99    HG2  LYS  14          2HG       LYS  14  13.305   4.078   2.157
  100    HG3  LYS  14          1HG       LYS  14  11.804   3.181   2.395
  101    HD2  LYS  14          2HD       LYS  14  13.751   1.655   2.350
  102    HD3  LYS  14          1HD       LYS  14  12.665   1.329   1.011
  103    HE2  LYS  14          2HE       LYS  14  14.174   2.718  -0.445
  104    HE3  LYS  14          1HE       LYS  14  15.289   2.845   0.913
  105    HZ1  LYS  14          1HZ       LYS  14  15.462   0.395   0.878
  106    HZ2  LYS  14          2HZ       LYS  14  15.988   1.090  -0.555
  107    HZ3  LYS  14          3HZ       LYS  14  14.475   0.351  -0.489
  108    H    CYS  15           H        CYS  15  10.477   1.472   1.334
  109    HA   CYS  15           HA       CYS  15   7.681   1.960   1.110
  110    HB2  CYS  15          2HB       CYS  15   8.540  -0.266   1.702
  111    HB3  CYS  15          1HB       CYS  15   9.214   0.396   3.188
  112    H    PHE  16           H        PHE  16   6.643   3.513   2.038
  113    HA   PHE  16           HA       PHE  16   7.514   4.494   4.644
  114    HB2  PHE  16          2HB       PHE  16   6.407   6.114   2.323
  115    HB3  PHE  16          1HB       PHE  16   6.597   6.745   3.954
  116    HD1  PHE  16          1HD       PHE  16   8.180   6.134   0.777
  117    HD2  PHE  16          2HD       PHE  16   8.939   6.945   4.888
  118    HE1  PHE  16          1HE       PHE  16  10.445   6.871   0.211
  119    HE2  PHE  16          2HE       PHE  16  11.209   7.676   4.321
  120    HZ   PHE  16           HZ       PHE  16  11.967   7.639   1.976
  121    H    HIS  17           H        HIS  17   6.048   3.603   5.911
  122    HA   HIS  17           HA       HIS  17   3.764   2.327   5.028
  123    HB2  HIS  17          2HB       HIS  17   4.896   1.788   7.153
  124    HB3  HIS  17          1HB       HIS  17   4.276   3.283   7.846
  125    HD1  HIS  17          1HD       HIS  17   2.073   3.065   9.051
  126    HD2  HIS  17          2HD       HIS  17   2.766   0.003   6.359
  127    HE1  HIS  17          1HE       HIS  17   0.156   1.449   9.340
  128    H    LYS  18           H        LYS  18   3.822   5.404   6.820
  129    HA   LYS  18           HA       LYS  18   1.025   5.767   6.738
  130    HB2  LYS  18          2HB       LYS  18   2.472   6.966   8.315
  131    HB3  LYS  18          1HB       LYS  18   3.190   7.860   6.984
  132    HG2  LYS  18          2HG       LYS  18   0.930   8.778   6.474
  133    HG3  LYS  18          1HG       LYS  18   0.347   8.011   7.951
  134    HD2  LYS  18          2HD       LYS  18   1.993   9.289   9.243
  135    HD3  LYS  18          1HD       LYS  18   2.539  10.064   7.753
  136    HE2  LYS  18          2HE       LYS  18   0.260  10.951   7.422
  137    HE3  LYS  18          1HE       LYS  18  -0.209  10.236   8.960
  138    HZ1  LYS  18          1HZ       LYS  18   1.801  12.358   8.529
  139    HZ2  LYS  18          2HZ       LYS  18   1.544  11.594  10.002
  140    HZ3  LYS  18          3HZ       LYS  18   0.306  12.517   9.304
  141    H    LYS  19           H        LYS  19   3.611   7.044   4.716
  142    HA   LYS  19           HA       LYS  19   2.112   8.673   3.028
  143    HB2  LYS  19          2HB       LYS  19   4.570   8.696   3.180
  144    HB3  LYS  19          1HB       LYS  19   4.621   7.122   2.404
  145    HG2  LYS  19          2HG       LYS  19   3.690   8.102   0.363
  146    HG3  LYS  19          1HG       LYS  19   3.639   9.682   1.151
  147    HD2  LYS  19          2HD       LYS  19   6.087   9.545   1.495
  148    HD3  LYS  19          1HD       LYS  19   6.100   8.026   0.606
  149    HE2  LYS  19          2HE       LYS  19   5.223  10.699  -0.489
  150    HE3  LYS  19          1HE       LYS  19   6.785   9.939  -0.766
  151    HZ1  LYS  19          1HZ       LYS  19   5.595   8.093  -1.887
  152    HZ2  LYS  19          2HZ       LYS  19   5.344   9.573  -2.632
  153    HZ3  LYS  19          3HZ       LYS  19   4.137   8.926  -1.683
  154    H    CYS  20           H        CYS  20   3.193   5.308   2.481
  155    HA   CYS  20           HA       CYS  20   1.836   5.033   0.034
  156    HB2  CYS  20          2HB       CYS  20   2.762   2.891   1.952
  157    HB3  CYS  20          1HB       CYS  20   2.212   2.632   0.299
  158    H    ASN  21           H        ASN  21   0.862   4.334   3.370
  159    HA   ASN  21           HA       ASN  21  -1.442   2.859   2.847
  160    HB2  ASN  21          2HB       ASN  21  -0.512   3.099   5.120
  161    HB3  ASN  21          1HB       ASN  21  -0.968   4.798   5.130
  162   HD21  ASN  21          1HD2      ASN  21  -3.146   5.347   5.512
  163   HD22  ASN  21          2HD2      ASN  21  -4.305   4.154   5.963
  164    H    HIS  22           H        HIS  22  -1.068   6.351   3.288
  165    HA   HIS  22           HA       HIS  22  -3.833   6.664   2.639
  166    HB2  HIS  22          2HB       HIS  22  -1.756   8.665   3.441
  167    HB3  HIS  22          1HB       HIS  22  -3.361   9.157   2.892
  168    HD1  HIS  22          1HD       HIS  22  -5.364   8.630   4.455
  169    HD2  HIS  22          2HD       HIS  22  -1.665   7.438   5.932
  170    HE1  HIS  22          1HE       HIS  22  -5.762   7.981   6.857
  171    H    TRP  23           H        TRP  23  -0.842   7.008   0.915
  172    HA   TRP  23           HA       TRP  23  -1.839   8.345  -1.328
  173    HB2  TRP  23          2HB       TRP  23   0.569   7.819  -1.066
  174    HB3  TRP  23          1HB       TRP  23   0.211   6.104  -1.228
  175    HD1  TRP  23           HD       TRP  23   0.110   5.134  -3.656
  176    HE1  TRP  23          1HE       TRP  23   0.366   6.149  -6.013
  177    HE3  TRP  23          3HE       TRP  23   0.056  10.083  -2.413
  178    HZ2  TRP  23          2HZ       TRP  23   0.518   8.718  -7.181
  179    HZ3  TRP  23          3HZ       TRP  23   0.260  11.752  -4.207
  180    HH2  TRP  23           HH       TRP  23   0.483  11.071  -6.536
  181    H    CYS  24           H        CYS  24  -1.688   4.893  -0.582
  182    HA   CYS  24           HA       CYS  24  -3.160   4.147  -2.820
  183    HB2  CYS  24          2HB       CYS  24  -2.474   2.750  -0.275
  184    HB3  CYS  24          1HB       CYS  24  -3.501   1.958  -1.457
  185    H    MET  25           H        MET  25  -4.216   4.772   0.527
  186    HA   MET  25           HA       MET  25  -6.859   3.918   0.156
  187    HB2  MET  25          2HB       MET  25  -5.736   4.388   2.366
  188    HB3  MET  25          1HB       MET  25  -5.960   6.100   2.044
  189    HG2  MET  25          2HG       MET  25  -8.367   5.783   1.972
  190    HG3  MET  25          1HG       MET  25  -8.158   4.061   2.287
  191    HE1  MET  25          1HE       MET  25  -9.677   3.934   4.372
  192    HE2  MET  25          2HE       MET  25 -10.154   5.584   3.997
  193    HE3  MET  25          3HE       MET  25  -9.701   5.151   5.647
  194    H    GLU  26           H        GLU  26  -5.357   7.054  -0.409
  195    HA   GLU  26           HA       GLU  26  -7.847   8.313  -1.109
  196    HB2  GLU  26          2HB       GLU  26  -6.116   9.566   0.037
  197    HB3  GLU  26          1HB       GLU  26  -4.979   9.226  -1.249
  198    HG2  GLU  26          2HG       GLU  26  -6.270  10.599  -2.777
  199    HG3  GLU  26          1HG       GLU  26  -7.466  10.899  -1.513
  200    H    LYS  27           H        LYS  27  -4.801   7.752  -2.902
  201    HA   LYS  27           HA       LYS  27  -5.961   8.620  -5.364
  202    HB2  LYS  27          2HB       LYS  27  -3.335   7.224  -4.886
  203    HB3  LYS  27          1HB       LYS  27  -3.822   8.088  -6.331
  204    HG2  LYS  27          2HG       LYS  27  -3.471   9.347  -3.624
  205    HG3  LYS  27          1HG       LYS  27  -2.250   9.331  -4.891
  206    HD2  LYS  27          2HD       LYS  27  -3.815  10.528  -6.361
  207    HD3  LYS  27          1HD       LYS  27  -4.974  10.606  -5.027
  208    HE2  LYS  27          2HE       LYS  27  -3.358  11.840  -3.686
  209    HE3  LYS  27          1HE       LYS  27  -2.182  11.756  -4.995
  210    HZ1  LYS  27          1HZ       LYS  27  -3.264  13.887  -4.981
  211    HZ2  LYS  27          2HZ       LYS  27  -4.786  13.176  -5.050
  212    HZ3  LYS  27          3HZ       LYS  27  -3.742  13.049  -6.363
  213    H    GLU  28           H        GLU  28  -5.169   5.448  -3.945
  214    HA   GLU  28           HA       GLU  28  -5.678   4.214  -6.548
  215    HB2  GLU  28          2HB       GLU  28  -4.504   3.063  -4.021
  216    HB3  GLU  28          1HB       GLU  28  -4.622   2.254  -5.573
  217    HG2  GLU  28          2HG       GLU  28  -3.035   4.762  -5.090
  218    HG3  GLU  28          1HG       GLU  28  -2.355   3.130  -5.087
  219    H    ASP  29           H        ASP  29  -7.322   5.043  -3.879
  220    HA   ASP  29           HA       ASP  29  -9.111   4.371  -2.695
  221    HB2  ASP  29          2HB       ASP  29 -10.224   4.633  -4.902
  222    HB3  ASP  29          1HB       ASP  29  -9.873   2.953  -5.277
  223    H    ALA  30           H        ALA  30  -7.615   3.199  -1.427
  224    HA   ALA  30           HA       ALA  30  -7.997   0.275  -1.579
  225    HB1  ALA  30          1HB       ALA  30  -5.666   0.903  -1.998
  226    HB2  ALA  30          2HB       ALA  30  -5.823   0.026  -0.476
  227    HB3  ALA  30          3HB       ALA  30  -5.626   1.780  -0.468
  228    H    LYS  31           H        LYS  31  -7.677  -0.742   0.623
  229    HA   LYS  31           HA       LYS  31  -9.393   0.694   2.484
  230    HB2  LYS  31          2HB       LYS  31  -8.067  -2.005   2.821
  231    HB3  LYS  31          1HB       LYS  31  -9.288  -1.329   3.880
  232    HG2  LYS  31          2HG       LYS  31 -10.844  -1.361   1.889
  233    HG3  LYS  31          1HG       LYS  31  -9.617  -2.327   1.064
  234    HD2  LYS  31          2HD       LYS  31 -10.976  -3.026   3.673
  235    HD3  LYS  31          1HD       LYS  31 -11.339  -3.740   2.112
  236    HE2  LYS  31          2HE       LYS  31  -9.128  -4.736   2.004
  237    HE3  LYS  31          1HE       LYS  31  -8.652  -3.919   3.492
  238    HZ1  LYS  31          1HZ       LYS  31 -10.831  -5.913   3.276
  239    HZ2  LYS  31          2HZ       LYS  31 -10.331  -5.172   4.676
  240    HZ3  LYS  31          3HZ       LYS  31  -9.292  -6.257   3.865
  241    H    TYR  32           H        TYR  32  -6.149  -0.699   2.425
  242    HA   TYR  32           HA       TYR  32  -5.005   1.389   3.930
  243    HB2  TYR  32          2HB       TYR  32  -4.238  -0.087   5.844
  244    HB3  TYR  32          1HB       TYR  32  -5.948   0.315   5.883
  245    HD1  TYR  32          1HD       TYR  32  -3.489  -2.392   5.404
  246    HD2  TYR  32          2HD       TYR  32  -7.623  -1.408   5.553
  247    HE1  TYR  32          1HE       TYR  32  -4.059  -4.776   5.571
  248    HE2  TYR  32          2HE       TYR  32  -8.185  -3.771   5.720
  249    HH   TYR  32           HH       TYR  32  -5.925  -6.183   6.354
  250    H    GLY  33           H        GLY  33  -2.745   1.175   3.983
  251    HA2  GLY  33          2HA       GLY  33  -1.689  -1.047   2.394
  252    HA3  GLY  33          1HA       GLY  33  -1.106   0.613   2.178
  253    H    SER  34           H        SER  34   0.012  -2.075   3.268
  254    HA   SER  34           HA       SER  34   1.092  -0.839   5.672
  255    HB2  SER  34          2HB       SER  34  -0.590  -2.668   6.205
  256    HB3  SER  34          1HB       SER  34   0.503  -3.804   5.419
  257    HG   SER  34           HG       SER  34   1.329  -2.139   7.559
  258    H    CYS  35           H        CYS  35   3.238  -2.028   6.278
  259    HA   CYS  35           HA       CYS  35   4.726  -2.118   3.782
  260    HB2  CYS  35          2HB       CYS  35   5.269  -0.500   5.733
  261    HB3  CYS  35          1HB       CYS  35   5.909  -1.924   6.544
  262    H    SER  36           H        SER  36   5.562  -3.950   3.118
  263    HA   SER  36           HA       SER  36   5.789  -6.181   4.998
  264    HB2  SER  36          2HB       SER  36   3.730  -6.360   3.549
  265    HB3  SER  36          1HB       SER  36   4.786  -6.348   2.147
  266    HG   SER  36           HG       SER  36   5.396  -8.207   4.112
  267    H    HIS  37           H        HIS  37   7.928  -6.410   5.137
  268    HA   HIS  37           HA       HIS  37  10.043  -7.017   4.611
  269    HB2  HIS  37          2HB       HIS  37   9.009  -7.499   1.794
  270    HB3  HIS  37          1HB       HIS  37  10.547  -8.060   2.433
  271    HD1  HIS  37          1HD       HIS  37   7.251  -9.255   1.774
  272    HD2  HIS  37          2HD       HIS  37  10.020  -9.850   4.800
  273    HE1  HIS  37          1HE       HIS  37   6.563 -11.376   2.919
  274    H    GLY  38           H        GLY  38   8.864  -4.283   4.055
  275    HA2  GLY  38          2HA       GLY  38  10.125  -2.326   3.749
  276    HA3  GLY  38          1HA       GLY  38  11.265  -3.243   2.771
  277    H    ASP  39           H        ASP  39   8.002  -3.845   2.005
  278    HA   ASP  39           HA       ASP  39   8.022  -1.763  -0.053
  279    HB2  ASP  39          2HB       ASP  39   7.362  -4.660  -0.354
  280    HB3  ASP  39          1HB       ASP  39   6.620  -3.469  -1.417
  281    H    CYS  40           H        CYS  40   6.021  -1.028  -0.748
  282    HA   CYS  40           HA       CYS  40   4.120  -0.926   1.451
  283    HB2  CYS  40          2HB       CYS  40   4.184   0.608  -1.153
  284    HB3  CYS  40          1HB       CYS  40   3.088   0.890   0.192
  285    H    TYR  41           H        TYR  41   2.854  -2.726   1.410
  286    HA   TYR  41           HA       TYR  41   1.623  -3.444  -1.120
  287    HB2  TYR  41          2HB       TYR  41   1.965  -4.957   1.454
  288    HB3  TYR  41          1HB       TYR  41   0.702  -5.425   0.324
  289    HD1  TYR  41          1HD       TYR  41   1.206  -6.772  -1.547
  290    HD2  TYR  41          2HD       TYR  41   4.396  -4.880   0.549
  291    HE1  TYR  41          1HE       TYR  41   2.821  -8.004  -2.906
  292    HE2  TYR  41          2HE       TYR  41   6.016  -6.120  -0.807
  293    HH   TYR  41           HH       TYR  41   6.257  -7.936  -2.251
  294    H    CYS  42           H        CYS  42  -0.165  -2.601  -1.603
  295    HA   CYS  42           HA       CYS  42  -1.781  -1.494   0.510
  296    HB2  CYS  42          2HB       CYS  42  -1.885  -1.080  -2.479
  297    HB3  CYS  42          1HB       CYS  42  -2.877  -0.229  -1.290
  298    H    TYR  43           H        TYR  43  -3.579  -2.344   1.154
  299    HA   TYR  43           HA       TYR  43  -4.435  -4.779  -0.164
  300    HB2  TYR  43          2HB       TYR  43  -4.926  -3.776   2.650
  301    HB3  TYR  43          1HB       TYR  43  -5.498  -5.313   2.001
  302    HD1  TYR  43          1HD       TYR  43  -2.564  -3.475   3.222
  303    HD2  TYR  43          2HD       TYR  43  -3.951  -7.130   1.573
  304    HE1  TYR  43          1HE       TYR  43  -0.469  -4.559   3.861
  305    HE2  TYR  43          2HE       TYR  43  -1.872  -8.216   2.211
  306    HH   TYR  43           HH       TYR  43   0.354  -6.807   4.339
  307    H    TYR  44           H        TYR  44  -6.276  -4.975  -1.039
  308    HA   TYR  44           HA       TYR  44  -8.158  -2.731  -0.947
  309    HB2  TYR  44          2HB       TYR  44  -7.604  -4.739  -3.136
  310    HB3  TYR  44          1HB       TYR  44  -8.878  -3.526  -3.180
  311    HD1  TYR  44          1HD       TYR  44  -5.295  -4.136  -3.489
  312    HD2  TYR  44          2HD       TYR  44  -8.326  -1.164  -3.399
  313    HE1  TYR  44          1HE       TYR  44  -3.716  -2.499  -4.386
  314    HE2  TYR  44          2HE       TYR  44  -6.779   0.466  -4.283
  315    HH   TYR  44           HH       TYR  44  -4.335   0.807  -4.374
  316    H    HIS  45           H        HIS  45 -10.370  -3.555  -1.668
  317    HA   HIS  45           HA       HIS  45 -11.109  -5.741   0.094
  318    HB2  HIS  45          2HB       HIS  45 -12.265  -3.500   0.234
  319    HB3  HIS  45          1HB       HIS  45 -12.836  -3.754  -1.405
  320    HD1  HIS  45          1HD       HIS  45 -15.099  -4.853  -1.589
  321    HD2  HIS  45          2HD       HIS  45 -13.247  -5.552   2.061
  322    HE1  HIS  45          1HE       HIS  45 -16.807  -6.008  -0.163
  323    H    CYS  46           H        CYS  46 -10.864  -7.611  -0.990
  324    HA   CYS  46           HA       CYS  46 -11.848  -7.733  -3.723
  325    HB2  CYS  46          2HB       CYS  46  -9.908  -9.553  -2.274
  326    HB3  CYS  46          1HB       CYS  46 -10.458  -9.773  -3.930
  Start of MODEL   17
    1    H1   ALA   1           H        ALA   1 -13.719 -10.620   7.217
    2    HA   ALA   1           HA       ALA   1 -13.382 -10.530   4.518
    3    HB1  ALA   1          1HB       ALA   1 -13.860  -8.562   5.935
    4    HB2  ALA   1          2HB       ALA   1 -12.579  -8.248   4.766
    5    HB3  ALA   1          3HB       ALA   1 -12.172  -8.557   6.452
    6    H    LYS   2           H        LYS   2 -11.556 -10.067   3.117
    7    HA   LYS   2           HA       LYS   2  -9.047 -11.174   4.174
    8    HB2  LYS   2          2HB       LYS   2 -10.301 -11.610   1.463
    9    HB3  LYS   2          1HB       LYS   2  -8.649 -12.053   1.854
   10    HG2  LYS   2          2HG       LYS   2 -11.104 -13.144   3.219
   11    HG3  LYS   2          1HG       LYS   2 -10.202 -13.956   1.938
   12    HD2  LYS   2          2HD       LYS   2  -8.201 -13.972   3.364
   13    HD3  LYS   2          1HD       LYS   2  -9.109 -13.159   4.636
   14    HE2  LYS   2          2HE       LYS   2  -8.941 -15.553   5.063
   15    HE3  LYS   2          1HE       LYS   2 -10.612 -15.066   4.811
   16    HZ1  LYS   2          1HZ       LYS   2 -10.498 -15.936   2.556
   17    HZ2  LYS   2          2HZ       LYS   2 -10.056 -17.126   3.650
   18    HZ3  LYS   2          3HZ       LYS   2  -8.869 -16.332   2.764
   19    H    HIS   3           H        HIS   3  -7.386  -9.873   4.054
   20    HA   HIS   3           HA       HIS   3  -7.639  -7.459   2.469
   21    HB2  HIS   3          2HB       HIS   3  -5.664  -6.628   3.749
   22    HB3  HIS   3          1HB       HIS   3  -6.997  -7.078   4.794
   23    HD1  HIS   3          1HD       HIS   3  -3.503  -8.193   3.822
   24    HD2  HIS   3          2HD       HIS   3  -6.462  -9.097   6.593
   25    HE1  HIS   3          1HE       HIS   3  -2.426  -9.718   5.505
   26    H    CYS   4           H        CYS   4  -6.574  -7.130   0.683
   27    HA   CYS   4           HA       CYS   4  -4.317  -8.867   0.079
   28    HB2  CYS   4          2HB       CYS   4  -6.675  -8.214  -1.639
   29    HB3  CYS   4          1HB       CYS   4  -5.125  -8.506  -2.406
   30    H    GLY   5           H        GLY   5  -2.582  -7.769   0.003
   31    HA2  GLY   5          2HA       GLY   5  -2.625  -4.942  -0.661
   32    HA3  GLY   5          1HA       GLY   5  -1.253  -5.863  -0.041
   33    H    LYS   6           H        LYS   6  -1.860  -4.113  -2.469
   34    HA   LYS   6           HA       LYS   6  -1.568  -5.756  -4.727
   35    HB2  LYS   6          2HB       LYS   6  -0.814  -3.778  -5.955
   36    HB3  LYS   6          1HB       LYS   6  -2.242  -3.424  -5.008
   37    HG2  LYS   6          2HG       LYS   6  -0.869  -2.254  -3.373
   38    HG3  LYS   6          1HG       LYS   6   0.590  -2.707  -4.257
   39    HD2  LYS   6          2HD       LYS   6  -0.314  -1.500  -6.240
   40    HD3  LYS   6          1HD       LYS   6  -1.646  -0.932  -5.232
   41    HE2  LYS   6          2HE       LYS   6  -0.077   0.209  -3.768
   42    HE3  LYS   6          1HE       LYS   6   1.270  -0.441  -4.698
   43    HZ1  LYS   6          1HZ       LYS   6   0.461   0.807  -6.618
   44    HZ2  LYS   6          2HZ       LYS   6   0.847   1.812  -5.348
   45    HZ3  LYS   6          3HZ       LYS   6  -0.767   1.499  -5.701
   46    H    HIS   7           H        HIS   7   0.130  -6.513  -5.814
   47    HA   HIS   7           HA       HIS   7   2.509  -6.969  -4.279
   48    HB2  HIS   7          2HB       HIS   7   1.481  -8.753  -5.657
   49    HB3  HIS   7          1HB       HIS   7   1.761  -7.796  -7.102
   50    HD1  HIS   7          1HD       HIS   7   3.375  -9.352  -8.284
   51    HD2  HIS   7          2HD       HIS   7   4.489  -8.575  -4.362
   52    HE1  HIS   7          1HE       HIS   7   5.685 -10.329  -8.008
   53    H    SER   8           H        SER   8   4.272  -5.684  -4.332
   54    HA   SER   8           HA       SER   8   4.252  -3.487  -6.091
   55    HB2  SER   8          2HB       SER   8   6.354  -2.857  -4.857
   56    HB3  SER   8          1HB       SER   8   4.915  -3.048  -3.855
   57    HG   SER   8           HG       SER   8   7.125  -4.085  -3.370
   58    H    LYS   9           H        LYS   9   4.372  -4.576  -8.040
   59    HA   LYS   9           HA       LYS   9   6.899  -5.682  -8.885
   60    HB2  LYS   9          2HB       LYS   9   4.544  -4.717 -10.539
   61    HB3  LYS   9          1HB       LYS   9   5.902  -5.668 -11.129
   62    HG2  LYS   9          2HG       LYS   9   5.228  -7.517  -9.633
   63    HG3  LYS   9          1HG       LYS   9   3.841  -6.562  -9.122
   64    HD2  LYS   9          2HD       LYS   9   3.161  -8.165 -10.800
   65    HD3  LYS   9          1HD       LYS   9   3.033  -6.535 -11.450
   66    HE2  LYS   9          2HE       LYS   9   3.996  -8.093 -13.082
   67    HE3  LYS   9          1HE       LYS   9   5.127  -6.819 -12.661
   68    HZ1  LYS   9          1HZ       LYS   9   6.143  -9.023 -12.776
   69    HZ2  LYS   9          2HZ       LYS   9   5.184  -9.577 -11.518
   70    HZ3  LYS   9          3HZ       LYS   9   6.325  -8.361 -11.247
   71    H    SER  10           H        SER  10   5.178  -2.714  -8.795
   72    HA   SER  10           HA       SER  10   7.154  -1.146 -10.120
   73    HB2  SER  10          2HB       SER  10   4.742  -0.459  -9.920
   74    HB3  SER  10          1HB       SER  10   4.939  -0.374  -8.174
   75    HG   SER  10           HG       SER  10   5.632   1.535  -8.428
   76    H    TRP  11           H        TRP  11   9.062  -0.760  -9.208
   77    HA   TRP  11           HA       TRP  11   9.577  -1.631  -6.558
   78    HB2  TRP  11          2HB       TRP  11  11.233  -2.013  -8.292
   79    HB3  TRP  11          1HB       TRP  11  11.403  -0.280  -8.547
   80    HD1  TRP  11           HD       TRP  11  12.068  -2.919  -5.795
   81    HE1  TRP  11          1HE       TRP  11  14.035  -2.104  -4.357
   82    HE3  TRP  11          3HE       TRP  11  12.803   1.660  -7.939
   83    HZ2  TRP  11          2HZ       TRP  11  15.681   0.177  -4.159
   84    HZ3  TRP  11          3HZ       TRP  11  14.597   3.094  -7.068
   85    HH2  TRP  11           HH       TRP  11  16.005   2.365  -5.216
   86    H    ASN  12           H        ASN  12   9.270  -0.563  -4.843
   87    HA   ASN  12           HA       ASN  12   9.558   2.350  -4.810
   88    HB2  ASN  12          2HB       ASN  12   8.193   0.440  -2.910
   89    HB3  ASN  12          1HB       ASN  12   8.653   2.054  -2.404
   90   HD21  ASN  12          1HD2      ASN  12   6.652   2.768  -2.055
   91   HD22  ASN  12          2HD2      ASN  12   5.477   3.035  -3.294
   92    H    GLY  13           H        GLY  13  11.338   3.157  -3.987
   93    HA2  GLY  13          2HA       GLY  13  13.425   1.470  -3.119
   94    HA3  GLY  13          1HA       GLY  13  13.407   3.229  -3.051
   95    H    LYS  14           H        LYS  14  11.067   3.468  -1.458
   96    HA   LYS  14           HA       LYS  14  11.926   2.267   1.053
   97    HB2  LYS  14          2HB       LYS  14  11.251   5.131   0.506
   98    HB3  LYS  14          1HB       LYS  14  10.928   4.423   2.065
   99    HG2  LYS  14          2HG       LYS  14  12.974   5.585   2.221
  100    HG3  LYS  14          1HG       LYS  14  13.342   3.869   2.234
  101    HD2  LYS  14          2HD       LYS  14  14.909   5.168   0.847
  102    HD3  LYS  14          1HD       LYS  14  14.003   3.995  -0.114
  103    HE2  LYS  14          2HE       LYS  14  12.595   5.627  -0.987
  104    HE3  LYS  14          1HE       LYS  14  13.087   6.821   0.209
  105    HZ1  LYS  14          1HZ       LYS  14  15.285   6.855  -0.899
  106    HZ2  LYS  14          2HZ       LYS  14  14.072   7.231  -2.003
  107    HZ3  LYS  14          3HZ       LYS  14  14.762   5.709  -2.009
  108    H    CYS  15           H        CYS  15  10.249   2.644   2.643
  109    HA   CYS  15           HA       CYS  15   7.570   2.781   1.585
  110    HB2  CYS  15          2HB       CYS  15   8.043   0.375   1.752
  111    HB3  CYS  15          1HB       CYS  15   8.484   0.585   3.448
  112    H    PHE  16           H        PHE  16   6.603   4.297   2.658
  113    HA   PHE  16           HA       PHE  16   7.179   4.564   5.497
  114    HB2  PHE  16          2HB       PHE  16   6.476   6.696   3.458
  115    HB3  PHE  16          1HB       PHE  16   6.432   6.963   5.199
  116    HD1  PHE  16          1HD       PHE  16   8.433   7.192   6.459
  117    HD2  PHE  16          2HD       PHE  16   8.645   6.381   2.290
  118    HE1  PHE  16          1HE       PHE  16  10.819   7.759   6.467
  119    HE2  PHE  16          2HE       PHE  16  11.013   6.956   2.294
  120    HZ   PHE  16           HZ       PHE  16  12.115   7.640   4.370
  121    H    HIS  17           H        HIS  17   5.587   3.804   6.610
  122    HA   HIS  17           HA       HIS  17   3.277   2.829   5.437
  123    HB2  HIS  17          2HB       HIS  17   2.433   2.315   7.694
  124    HB3  HIS  17          1HB       HIS  17   4.107   1.832   7.491
  125    HD1  HIS  17          1HD       HIS  17   1.877   3.780   9.664
  126    HD2  HIS  17          2HD       HIS  17   5.963   3.540   8.933
  127    HE1  HIS  17          1HE       HIS  17   3.002   4.889  11.621
  128    H    LYS  18           H        LYS  18   3.721   5.877   7.106
  129    HA   LYS  18           HA       LYS  18   0.971   6.578   7.108
  130    HB2  LYS  18          2HB       LYS  18   2.613   7.785   8.493
  131    HB3  LYS  18          1HB       LYS  18   3.371   8.417   7.039
  132    HG2  LYS  18          2HG       LYS  18   1.258   9.540   6.453
  133    HG3  LYS  18          1HG       LYS  18   0.567   8.974   7.968
  134    HD2  LYS  18          2HD       LYS  18   2.220  10.245   9.214
  135    HD3  LYS  18          1HD       LYS  18   2.972  10.768   7.703
  136    HE2  LYS  18          2HE       LYS  18   0.897  11.869   7.042
  137    HE3  LYS  18          1HE       LYS  18   0.138  11.330   8.536
  138    HZ1  LYS  18          1HZ       LYS  18   2.453  13.168   8.333
  139    HZ2  LYS  18          2HZ       LYS  18   1.721  12.668   9.772
  140    HZ3  LYS  18          3HZ       LYS  18   0.861  13.620   8.670
  141    H    LYS  19           H        LYS  19   3.617   7.254   4.877
  142    HA   LYS  19           HA       LYS  19   2.184   8.837   3.064
  143    HB2  LYS  19          2HB       LYS  19   4.661   8.690   3.148
  144    HB3  LYS  19          1HB       LYS  19   4.558   7.052   2.523
  145    HG2  LYS  19          2HG       LYS  19   3.643   7.881   0.442
  146    HG3  LYS  19          1HG       LYS  19   3.645   9.529   1.078
  147    HD2  LYS  19          2HD       LYS  19   6.090   9.390   1.352
  148    HD3  LYS  19          1HD       LYS  19   6.063   7.778   0.643
  149    HE2  LYS  19          2HE       LYS  19   5.178   8.683  -1.430
  150    HE3  LYS  19          1HE       LYS  19   5.133  10.296  -0.725
  151    HZ1  LYS  19          1HZ       LYS  19   7.084   9.978  -2.114
  152    HZ2  LYS  19          2HZ       LYS  19   7.603   8.696  -1.158
  153    HZ3  LYS  19          3HZ       LYS  19   7.523  10.248  -0.515
  154    H    CYS  20           H        CYS  20   2.921   5.373   3.067
  155    HA   CYS  20           HA       CYS  20   1.594   4.678   0.714
  156    HB2  CYS  20          2HB       CYS  20   2.067   3.074   3.224
  157    HB3  CYS  20          1HB       CYS  20   1.413   2.391   1.740
  158    H    ASN  21           H        ASN  21   0.392   4.883   4.026
  159    HA   ASN  21           HA       ASN  21  -2.175   3.920   3.532
  160    HB2  ASN  21          2HB       ASN  21  -1.293   4.108   5.794
  161    HB3  ASN  21          1HB       ASN  21  -1.226   5.859   5.648
  162   HD21  ASN  21          1HD2      ASN  21  -3.100   7.058   5.981
  163   HD22  ASN  21          2HD2      ASN  21  -4.571   6.325   6.484
  164    H    HIS  22           H        HIS  22  -1.093   7.301   3.805
  165    HA   HIS  22           HA       HIS  22  -3.664   8.295   3.117
  166    HB2  HIS  22          2HB       HIS  22  -1.003   9.713   3.229
  167    HB3  HIS  22          1HB       HIS  22  -2.521  10.526   2.867
  168    HD1  HIS  22          1HD       HIS  22  -4.004  11.151   4.875
  169    HD2  HIS  22          2HD       HIS  22  -0.811   8.685   5.847
  170    HE1  HIS  22          1HE       HIS  22  -3.934  11.071   7.386
  171    H    TRP  23           H        TRP  23  -0.848   7.539   1.206
  172    HA   TRP  23           HA       TRP  23  -1.753   8.881  -1.116
  173    HB2  TRP  23          2HB       TRP  23   0.616   8.240  -0.787
  174    HB3  TRP  23          1HB       TRP  23   0.159   6.547  -0.912
  175    HD1  TRP  23           HD       TRP  23   0.036   5.538  -3.306
  176    HE1  TRP  23          1HE       TRP  23   0.334   6.478  -5.670
  177    HE3  TRP  23          3HE       TRP  23   0.171  10.495  -2.163
  178    HZ2  TRP  23          2HZ       TRP  23   0.601   9.021  -6.901
  179    HZ3  TRP  23          3HZ       TRP  23   0.441  12.113  -3.970
  180    HH2  TRP  23           HH       TRP  23   0.656  11.392  -6.300
  181    H    CYS  24           H        CYS  24  -1.641   5.413  -0.351
  182    HA   CYS  24           HA       CYS  24  -3.089   4.734  -2.638
  183    HB2  CYS  24          2HB       CYS  24  -2.223   3.258  -0.229
  184    HB3  CYS  24          1HB       CYS  24  -3.291   2.443  -1.350
  185    H    MET  25           H        MET  25  -4.221   5.386   0.632
  186    HA   MET  25           HA       MET  25  -6.783   4.278   0.328
  187    HB2  MET  25          2HB       MET  25  -5.866   4.976   2.495
  188    HB3  MET  25          1HB       MET  25  -5.957   6.659   1.997
  189    HG2  MET  25          2HG       MET  25  -8.399   6.462   1.834
  190    HG3  MET  25          1HG       MET  25  -8.289   4.789   2.375
  191    HE1  MET  25          1HE       MET  25  -6.961   5.196   6.040
  192    HE2  MET  25          2HE       MET  25  -5.934   5.050   4.621
  193    HE3  MET  25          3HE       MET  25  -7.395   4.069   4.755
  194    H    GLU  26           H        GLU  26  -5.468   7.375  -0.625
  195    HA   GLU  26           HA       GLU  26  -8.066   8.348  -1.474
  196    HB2  GLU  26          2HB       GLU  26  -6.430   9.888  -0.450
  197    HB3  GLU  26          1HB       GLU  26  -5.318   9.565  -1.774
  198    HG2  GLU  26          2HG       GLU  26  -7.009  10.475  -3.331
  199    HG3  GLU  26          1HG       GLU  26  -7.999  10.905  -1.941
  200    H    LYS  27           H        LYS  27  -4.905   7.675  -2.934
  201    HA   LYS  27           HA       LYS  27  -5.666   8.337  -5.529
  202    HB2  LYS  27          2HB       LYS  27  -3.354   8.415  -4.794
  203    HB3  LYS  27          1HB       LYS  27  -3.337   6.673  -4.579
  204    HG2  LYS  27          2HG       LYS  27  -2.201   7.317  -6.631
  205    HG3  LYS  27          1HG       LYS  27  -3.647   6.368  -6.985
  206    HD2  LYS  27          2HD       LYS  27  -4.876   8.461  -7.419
  207    HD3  LYS  27          1HD       LYS  27  -3.392   9.370  -7.138
  208    HE2  LYS  27          2HE       LYS  27  -3.835   7.290  -9.270
  209    HE3  LYS  27          1HE       LYS  27  -3.845   9.030  -9.524
  210    HZ1  LYS  27          1HZ       LYS  27  -1.501   9.078  -8.824
  211    HZ2  LYS  27          2HZ       LYS  27  -1.765   8.112 -10.169
  212    HZ3  LYS  27          3HZ       LYS  27  -1.508   7.382  -8.681
  213    H    GLU  28           H        GLU  28  -5.485   5.118  -3.975
  214    HA   GLU  28           HA       GLU  28  -6.699   4.127  -6.453
  215    HB2  GLU  28          2HB       GLU  28  -4.759   2.721  -4.641
  216    HB3  GLU  28          1HB       GLU  28  -5.620   1.946  -5.964
  217    HG2  GLU  28          2HG       GLU  28  -4.573   3.535  -7.530
  218    HG3  GLU  28          1HG       GLU  28  -3.661   4.213  -6.183
  219    H    ASP  29           H        ASP  29  -7.643   5.050  -3.722
  220    HA   ASP  29           HA       ASP  29  -9.184   4.550  -2.148
  221    HB2  ASP  29          2HB       ASP  29 -10.570   4.599  -4.274
  222    HB3  ASP  29          1HB       ASP  29 -10.433   2.851  -4.338
  223    H    ALA  30           H        ALA  30  -7.400   3.410  -1.173
  224    HA   ALA  30           HA       ALA  30  -7.769   0.501  -0.985
  225    HB1  ALA  30          1HB       ALA  30  -5.459   2.221  -0.070
  226    HB2  ALA  30          2HB       ALA  30  -5.502   1.247  -1.540
  227    HB3  ALA  30          3HB       ALA  30  -5.543   0.462   0.038
  228    H    LYS  31           H        LYS  31  -7.389  -0.385   1.230
  229    HA   LYS  31           HA       LYS  31  -9.080   1.027   3.092
  230    HB2  LYS  31          2HB       LYS  31  -7.539  -1.554   3.417
  231    HB3  LYS  31          1HB       LYS  31  -8.709  -0.921   4.560
  232    HG2  LYS  31          2HG       LYS  31 -10.428  -1.087   2.764
  233    HG3  LYS  31          1HG       LYS  31  -9.223  -1.916   1.777
  234    HD2  LYS  31          2HD       LYS  31  -9.000  -3.652   3.454
  235    HD3  LYS  31          1HD       LYS  31 -10.133  -2.804   4.506
  236    HE2  LYS  31          2HE       LYS  31 -11.835  -3.019   2.702
  237    HE3  LYS  31          1HE       LYS  31 -10.685  -4.046   1.844
  238    HZ1  LYS  31          1HZ       LYS  31 -11.803  -4.559   4.533
  239    HZ2  LYS  31          2HZ       LYS  31 -10.721  -5.577   3.751
  240    HZ3  LYS  31          3HZ       LYS  31 -12.280  -5.321   3.125
  241    H    TYR  32           H        TYR  32  -5.728   0.025   2.799
  242    HA   TYR  32           HA       TYR  32  -4.730   2.284   4.117
  243    HB2  TYR  32          2HB       TYR  32  -3.646   1.124   6.041
  244    HB3  TYR  32          1HB       TYR  32  -5.396   1.153   6.189
  245    HD1  TYR  32          1HD       TYR  32  -2.426  -0.953   5.734
  246    HD2  TYR  32          2HD       TYR  32  -6.665  -0.942   6.046
  247    HE1  TYR  32          1HE       TYR  32  -2.398  -3.375   6.116
  248    HE2  TYR  32          2HE       TYR  32  -6.655  -3.354   6.421
  249    HH   TYR  32           HH       TYR  32  -3.737  -5.130   7.023
  250    H    GLY  33           H        GLY  33  -2.381   2.202   4.150
  251    HA2  GLY  33          2HA       GLY  33  -1.264   0.109   2.430
  252    HA3  GLY  33          1HA       GLY  33  -0.754   1.805   2.334
  253    H    SER  34           H        SER  34   0.674  -0.774   3.158
  254    HA   SER  34           HA       SER  34   1.794   0.352   5.576
  255    HB2  SER  34          2HB       SER  34  -0.099  -1.240   6.217
  256    HB3  SER  34          1HB       SER  34   0.867  -2.534   5.518
  257    HG   SER  34           HG       SER  34   1.155  -1.138   7.865
  258    H    CYS  35           H        CYS  35   3.683  -1.192   6.233
  259    HA   CYS  35           HA       CYS  35   5.214  -1.613   3.794
  260    HB2  CYS  35          2HB       CYS  35   6.097  -1.101   6.632
  261    HB3  CYS  35          1HB       CYS  35   7.180  -1.380   5.268
  262    H    SER  36           H        SER  36   5.968  -3.519   3.278
  263    HA   SER  36           HA       SER  36   6.308  -5.574   5.264
  264    HB2  SER  36          2HB       SER  36   3.974  -5.914   4.438
  265    HB3  SER  36          1HB       SER  36   4.574  -5.940   2.783
  266    HG   SER  36           HG       SER  36   4.401  -8.002   3.326
  267    H    HIS  37           H        HIS  37   8.191  -6.536   4.827
  268    HA   HIS  37           HA       HIS  37  10.088  -7.248   3.806
  269    HB2  HIS  37          2HB       HIS  37   8.690  -6.726   1.154
  270    HB3  HIS  37          1HB       HIS  37  10.176  -7.636   1.368
  271    HD1  HIS  37          1HD       HIS  37   6.695  -8.179   0.827
  272    HD2  HIS  37          2HD       HIS  37   9.618  -9.985   3.163
  273    HE1  HIS  37          1HE       HIS  37   5.792 -10.450   1.432
  274    H    GLY  38           H        GLY  38   9.115  -4.204   3.898
  275    HA2  GLY  38          2HA       GLY  38  10.463  -2.256   3.775
  276    HA3  GLY  38          1HA       GLY  38  11.581  -3.126   2.723
  277    H    ASP  39           H        ASP  39   8.511  -3.757   1.765
  278    HA   ASP  39           HA       ASP  39   8.578  -1.705  -0.322
  279    HB2  ASP  39          2HB       ASP  39   7.559  -4.510  -0.246
  280    HB3  ASP  39          1HB       ASP  39   6.865  -3.360  -1.370
  281    H    CYS  40           H        CYS  40   6.571  -0.946  -1.043
  282    HA   CYS  40           HA       CYS  40   4.805  -0.375   1.192
  283    HB2  CYS  40          2HB       CYS  40   5.748   1.516  -0.033
  284    HB3  CYS  40          1HB       CYS  40   5.103   0.884  -1.539
  285    H    TYR  41           H        TYR  41   3.146  -1.713   1.379
  286    HA   TYR  41           HA       TYR  41   1.891  -2.774  -1.048
  287    HB2  TYR  41          2HB       TYR  41   2.011  -3.851   1.763
  288    HB3  TYR  41          1HB       TYR  41   0.870  -4.446   0.573
  289    HD1  TYR  41          1HD       TYR  41   4.540  -4.081   1.247
  290    HD2  TYR  41          2HD       TYR  41   1.496  -6.134  -0.919
  291    HE1  TYR  41          1HE       TYR  41   6.153  -5.744   0.555
  292    HE2  TYR  41          2HE       TYR  41   3.127  -7.798  -1.632
  293    HH   TYR  41           HH       TYR  41   5.746  -7.897  -1.903
  294    H    CYS  42           H        CYS  42  -0.055  -2.111  -1.476
  295    HA   CYS  42           HA       CYS  42  -1.495  -0.624   0.586
  296    HB2  CYS  42          2HB       CYS  42  -1.796  -0.541  -2.421
  297    HB3  CYS  42          1HB       CYS  42  -2.655   0.491  -1.279
  298    H    TYR  43           H        TYR  43  -3.270  -1.464   1.397
  299    HA   TYR  43           HA       TYR  43  -4.020  -4.082   0.402
  300    HB2  TYR  43          2HB       TYR  43  -4.327  -2.773   3.089
  301    HB3  TYR  43          1HB       TYR  43  -5.037  -4.330   2.678
  302    HD1  TYR  43          1HD       TYR  43  -1.813  -2.526   3.100
  303    HD2  TYR  43          2HD       TYR  43  -3.726  -6.294   2.665
  304    HE1  TYR  43          1HE       TYR  43   0.285  -3.653   3.697
  305    HE2  TYR  43          2HE       TYR  43  -1.634  -7.426   3.271
  306    HH   TYR  43           HH       TYR  43   0.961  -5.888   4.665
  307    H    TYR  44           H        TYR  44  -5.794  -4.530  -0.411
  308    HA   TYR  44           HA       TYR  44  -8.145  -2.771  -0.163
  309    HB2  TYR  44          2HB       TYR  44  -7.457  -4.588  -2.500
  310    HB3  TYR  44          1HB       TYR  44  -8.704  -3.356  -2.445
  311    HD1  TYR  44          1HD       TYR  44  -8.058  -0.954  -2.617
  312    HD2  TYR  44          2HD       TYR  44  -5.208  -4.070  -3.047
  313    HE1  TYR  44          1HE       TYR  44  -6.480   0.627  -3.632
  314    HE2  TYR  44          2HE       TYR  44  -3.630  -2.497  -4.049
  315    HH   TYR  44           HH       TYR  44  -3.767  -0.342  -5.307
  316    H    HIS  45           H        HIS  45 -10.098  -4.378  -0.819
  317    HA   HIS  45           HA       HIS  45  -9.700  -6.809   0.733
  318    HB2  HIS  45          2HB       HIS  45 -11.838  -5.407   0.942
  319    HB3  HIS  45          1HB       HIS  45 -12.240  -5.943  -0.684
  320    HD1  HIS  45          1HD       HIS  45 -13.297  -8.275  -0.899
  321    HD2  HIS  45          2HD       HIS  45 -11.787  -7.475   2.880
  322    HE1  HIS  45          1HE       HIS  45 -14.053 -10.168   0.569
  323    H    CYS  46           H        CYS  46  -9.578  -8.809  -0.149
  324    HA   CYS  46           HA       CYS  46  -8.695  -9.166  -2.779
  325    HB2  CYS  46          2HB       CYS  46  -9.900 -11.273  -0.990
  326    HB3  CYS  46          1HB       CYS  46  -8.743 -11.516  -2.295
  Start of MODEL   18
    1    H1   ALA   1           H        ALA   1 -11.459 -10.041   8.757
    2    HA   ALA   1           HA       ALA   1 -13.098  -8.134   7.277
    3    HB1  ALA   1          1HB       ALA   1 -10.392  -7.358   8.355
    4    HB2  ALA   1          2HB       ALA   1 -11.937  -6.655   8.834
    5    HB3  ALA   1          3HB       ALA   1 -11.336  -6.436   7.188
    6    H    LYS   2           H        LYS   2 -12.761  -8.436   5.128
    7    HA   LYS   2           HA       LYS   2 -10.624 -10.266   4.471
    8    HB2  LYS   2          2HB       LYS   2 -12.956  -9.342   2.795
    9    HB3  LYS   2          1HB       LYS   2 -11.722 -10.478   2.268
   10    HG2  LYS   2          2HG       LYS   2 -12.381 -11.945   4.186
   11    HG3  LYS   2          1HG       LYS   2 -13.736 -10.865   4.470
   12    HD2  LYS   2          2HD       LYS   2 -14.532 -12.704   3.172
   13    HD3  LYS   2          1HD       LYS   2 -14.464 -11.300   2.110
   14    HE2  LYS   2          2HE       LYS   2 -13.600 -13.315   1.011
   15    HE3  LYS   2          1HE       LYS   2 -12.352 -12.085   1.165
   16    HZ1  LYS   2          1HZ       LYS   2 -11.531 -14.290   1.752
   17    HZ2  LYS   2          2HZ       LYS   2 -12.665 -14.428   2.985
   18    HZ3  LYS   2          3HZ       LYS   2 -11.463 -13.270   3.074
   19    H    HIS   3           H        HIS   3  -8.876  -9.679   3.536
   20    HA   HIS   3           HA       HIS   3  -8.777  -7.269   1.981
   21    HB2  HIS   3          2HB       HIS   3  -6.811  -6.398   3.189
   22    HB3  HIS   3          1HB       HIS   3  -8.244  -6.399   4.211
   23    HD1  HIS   3          1HD       HIS   3  -4.753  -7.100   4.403
   24    HD2  HIS   3          2HD       HIS   3  -8.167  -8.899   5.941
   25    HE1  HIS   3          1HE       HIS   3  -3.978  -8.515   6.312
   26    H    CYS   4           H        CYS   4  -7.422  -7.449   0.378
   27    HA   CYS   4           HA       CYS   4  -5.689  -9.778   0.335
   28    HB2  CYS   4          2HB       CYS   4  -7.380  -8.499  -1.777
   29    HB3  CYS   4          1HB       CYS   4  -6.000  -9.481  -2.234
   30    H    GLY   5           H        GLY   5  -3.608  -9.467  -0.356
   31    HA2  GLY   5          2HA       GLY   5  -2.792  -6.668  -0.201
   32    HA3  GLY   5          1HA       GLY   5  -1.773  -8.062   0.120
   33    H    LYS   6           H        LYS   6  -1.911  -5.636  -1.809
   34    HA   LYS   6           HA       LYS   6  -1.016  -7.131  -4.167
   35    HB2  LYS   6          2HB       LYS   6  -2.941  -5.645  -4.593
   36    HB3  LYS   6          1HB       LYS   6  -2.032  -4.298  -3.914
   37    HG2  LYS   6          2HG       LYS   6  -0.355  -4.612  -5.744
   38    HG3  LYS   6          1HG       LYS   6  -1.442  -5.807  -6.452
   39    HD2  LYS   6          2HD       LYS   6  -3.187  -4.105  -6.657
   40    HD3  LYS   6          1HD       LYS   6  -2.111  -2.917  -5.920
   41    HE2  LYS   6          2HE       LYS   6  -2.093  -2.624  -8.304
   42    HE3  LYS   6          1HE       LYS   6  -0.529  -3.242  -7.783
   43    HZ1  LYS   6          1HZ       LYS   6  -1.283  -5.472  -8.501
   44    HZ2  LYS   6          2HZ       LYS   6  -1.204  -4.360  -9.736
   45    HZ3  LYS   6          3HZ       LYS   6  -2.710  -4.780  -9.091
   46    H    HIS   7           H        HIS   7   1.033  -6.752  -4.743
   47    HA   HIS   7           HA       HIS   7   2.628  -5.167  -2.914
   48    HB2  HIS   7          2HB       HIS   7   3.394  -7.458  -3.414
   49    HB3  HIS   7          1HB       HIS   7   3.468  -7.065  -5.126
   50    HD1  HIS   7          1HD       HIS   7   5.836  -6.840  -5.780
   51    HD2  HIS   7          2HD       HIS   7   5.137  -5.323  -1.988
   52    HE1  HIS   7          1HE       HIS   7   8.042  -5.874  -4.994
   53    H    SER   8           H        SER   8   3.652  -3.355  -3.483
   54    HA   SER   8           HA       SER   8   2.688  -1.902  -5.720
   55    HB2  SER   8          2HB       SER   8   4.976  -1.280  -3.851
   56    HB3  SER   8          1HB       SER   8   4.138  -0.133  -4.899
   57    HG   SER   8           HG       SER   8   3.119  -1.536  -2.660
   58    H    LYS   9           H        LYS   9   3.845  -1.180  -7.520
   59    HA   LYS   9           HA       LYS   9   5.649  -2.990  -8.705
   60    HB2  LYS   9          2HB       LYS   9   4.046  -1.239  -9.800
   61    HB3  LYS   9          1HB       LYS   9   5.333  -0.090  -9.511
   62    HG2  LYS   9          2HG       LYS   9   5.584  -2.582 -11.200
   63    HG3  LYS   9          1HG       LYS   9   5.269  -0.970 -11.818
   64    HD2  LYS   9          2HD       LYS   9   7.431  -0.209 -11.010
   65    HD3  LYS   9          1HD       LYS   9   7.732  -1.786 -10.275
   66    HE2  LYS   9          2HE       LYS   9   7.345  -1.257 -13.216
   67    HE3  LYS   9          1HE       LYS   9   8.894  -1.528 -12.422
   68    HZ1  LYS   9          1HZ       LYS   9   6.662  -3.492 -12.597
   69    HZ2  LYS   9          2HZ       LYS   9   8.121  -3.756 -11.803
   70    HZ3  LYS   9          3HZ       LYS   9   8.102  -3.538 -13.463
   71    H    SER  10           H        SER  10   5.996   0.218  -7.272
   72    HA   SER  10           HA       SER  10   7.617   1.359  -6.366
   73    HB2  SER  10          2HB       SER  10   8.950  -1.320  -5.925
   74    HB3  SER  10          1HB       SER  10   9.344   0.184  -5.090
   75    HG   SER  10           HG       SER  10   7.650  -1.567  -4.301
   76    H    TRP  11           H        TRP  11   8.098   2.428  -8.202
   77    HA   TRP  11           HA       TRP  11  10.132   1.530 -10.020
   78    HB2  TRP  11          2HB       TRP  11   8.724   4.195  -9.715
   79    HB3  TRP  11          1HB       TRP  11   9.921   3.864 -10.966
   80    HD1  TRP  11           HD       TRP  11   9.217   2.150 -12.892
   81    HE1  TRP  11          1HE       TRP  11   6.941   1.431 -13.795
   82    HE3  TRP  11          3HE       TRP  11   6.292   3.765  -9.024
   83    HZ2  TRP  11          2HZ       TRP  11   4.218   1.536 -12.970
   84    HZ3  TRP  11          3HZ       TRP  11   3.866   3.420  -9.161
   85    HH2  TRP  11           HH       TRP  11   2.854   2.331 -11.094
   86    H    ASN  12           H        ASN  12   9.821   3.995  -7.541
   87    HA   ASN  12           HA       ASN  12  12.298   3.458  -6.401
   88    HB2  ASN  12          2HB       ASN  12  13.170   4.766  -8.379
   89    HB3  ASN  12          1HB       ASN  12  12.226   6.147  -7.817
   90   HD21  ASN  12          1HD2      ASN  12  14.055   7.408  -7.456
   91   HD22  ASN  12          2HD2      ASN  12  15.144   7.093  -6.151
   92    H    GLY  13           H        GLY  13  11.122   3.353  -4.615
   93    HA2  GLY  13          2HA       GLY  13  10.369   5.884  -3.449
   94    HA3  GLY  13          1HA       GLY  13   9.100   4.669  -3.612
   95    H    LYS  14           H        LYS  14  10.086   5.665  -1.151
   96    HA   LYS  14           HA       LYS  14  11.556   3.350  -0.145
   97    HB2  LYS  14          2HB       LYS  14  12.388   5.771   0.209
   98    HB3  LYS  14          1HB       LYS  14  11.032   5.934   1.313
   99    HG2  LYS  14          2HG       LYS  14  13.078   5.464   2.525
  100    HG3  LYS  14          1HG       LYS  14  11.941   4.124   2.693
  101    HD2  LYS  14          2HD       LYS  14  13.136   2.826   1.059
  102    HD3  LYS  14          1HD       LYS  14  14.177   4.195   0.667
  103    HE2  LYS  14          2HE       LYS  14  15.129   4.107   2.904
  104    HE3  LYS  14          1HE       LYS  14  14.052   2.778   3.324
  105    HZ1  LYS  14          1HZ       LYS  14  15.125   1.370   1.781
  106    HZ2  LYS  14          2HZ       LYS  14  16.361   2.120   2.648
  107    HZ3  LYS  14          3HZ       LYS  14  15.996   2.627   1.090
  108    H    CYS  15           H        CYS  15  10.598   2.099   1.453
  109    HA   CYS  15           HA       CYS  15   7.738   2.315   1.436
  110    HB2  CYS  15          2HB       CYS  15   8.863   0.153   1.073
  111    HB3  CYS  15          1HB       CYS  15   9.475   0.220   2.722
  112    H    PHE  16           H        PHE  16   6.672   3.398   2.845
  113    HA   PHE  16           HA       PHE  16   7.391   3.251   5.671
  114    HB2  PHE  16          2HB       PHE  16   6.483   5.766   4.227
  115    HB3  PHE  16          1HB       PHE  16   6.678   5.599   5.957
  116    HD1  PHE  16          1HD       PHE  16   9.077   4.972   6.764
  117    HD2  PHE  16          2HD       PHE  16   8.181   6.662   2.966
  118    HE1  PHE  16          1HE       PHE  16  11.378   5.806   6.597
  119    HE2  PHE  16          2HE       PHE  16  10.481   7.496   2.789
  120    HZ   PHE  16           HZ       PHE  16  12.089   7.068   4.606
  121    H    HIS  17           H        HIS  17   5.537   3.152   6.981
  122    HA   HIS  17           HA       HIS  17   3.257   2.036   5.824
  123    HB2  HIS  17          2HB       HIS  17   3.870   3.036   8.570
  124    HB3  HIS  17          1HB       HIS  17   2.207   2.654   8.159
  125    HD1  HIS  17          1HD       HIS  17   5.504   1.026   8.898
  126    HD2  HIS  17          2HD       HIS  17   1.678  -0.030   7.698
  127    HE1  HIS  17          1HE       HIS  17   5.379  -1.473   9.121
  128    H    LYS  18           H        LYS  18   3.747   5.328   7.041
  129    HA   LYS  18           HA       LYS  18   1.127   6.173   6.389
  130    HB2  LYS  18          2HB       LYS  18   3.644   7.810   6.720
  131    HB3  LYS  18          1HB       LYS  18   2.037   8.491   6.547
  132    HG2  LYS  18          2HG       LYS  18   2.949   6.697   8.789
  133    HG3  LYS  18          1HG       LYS  18   2.746   8.449   8.879
  134    HD2  LYS  18          2HD       LYS  18   0.367   8.193   8.376
  135    HD3  LYS  18          1HD       LYS  18   0.570   6.445   8.284
  136    HE2  LYS  18          2HE       LYS  18   1.291   6.416  10.622
  137    HE3  LYS  18          1HE       LYS  18   1.035   8.159  10.717
  138    HZ1  LYS  18          1HZ       LYS  18  -1.311   7.802  10.238
  139    HZ2  LYS  18          2HZ       LYS  18  -0.866   6.861  11.581
  140    HZ3  LYS  18          3HZ       LYS  18  -1.050   6.157  10.087
  141    H    LYS  19           H        LYS  19   4.081   6.057   4.583
  142    HA   LYS  19           HA       LYS  19   3.227   7.570   2.371
  143    HB2  LYS  19          2HB       LYS  19   5.602   7.036   2.751
  144    HB3  LYS  19          1HB       LYS  19   5.260   5.334   2.497
  145    HG2  LYS  19          2HG       LYS  19   6.338   6.374   0.547
  146    HG3  LYS  19          1HG       LYS  19   4.741   5.731   0.169
  147    HD2  LYS  19          2HD       LYS  19   5.082   7.918  -0.872
  148    HD3  LYS  19          1HD       LYS  19   3.791   7.987   0.321
  149    HE2  LYS  19          2HE       LYS  19   5.412   8.924   1.951
  150    HE3  LYS  19          1HE       LYS  19   6.639   8.930   0.683
  151    HZ1  LYS  19          1HZ       LYS  19   5.235  10.419  -0.588
  152    HZ2  LYS  19          2HZ       LYS  19   5.591  11.089   0.911
  153    HZ3  LYS  19          3HZ       LYS  19   4.075  10.409   0.624
  154    H    CYS  20           H        CYS  20   3.309   4.052   2.889
  155    HA   CYS  20           HA       CYS  20   2.052   3.370   0.494
  156    HB2  CYS  20          2HB       CYS  20   2.204   1.899   3.119
  157    HB3  CYS  20          1HB       CYS  20   1.569   1.198   1.634
  158    H    ASN  21           H        ASN  21   0.699   4.095   3.683
  159    HA   ASN  21           HA       ASN  21  -1.919   3.309   2.966
  160    HB2  ASN  21          2HB       ASN  21  -1.124   3.492   5.325
  161    HB3  ASN  21          1HB       ASN  21  -1.148   5.246   5.152
  162   HD21  ASN  21          1HD2      ASN  21  -3.158   6.322   5.063
  163   HD22  ASN  21          2HD2      ASN  21  -4.613   5.525   5.455
  164    H    HIS  22           H        HIS  22  -0.425   6.555   3.243
  165    HA   HIS  22           HA       HIS  22  -2.743   7.854   2.314
  166    HB2  HIS  22          2HB       HIS  22   0.096   8.787   2.590
  167    HB3  HIS  22          1HB       HIS  22  -1.143   9.812   1.877
  168    HD1  HIS  22          1HD       HIS  22  -3.065  10.629   3.492
  169    HD2  HIS  22          2HD       HIS  22   0.030   8.535   5.314
  170    HE1  HIS  22          1HE       HIS  22  -3.256  11.125   5.970
  171    H    TRP  23           H        TRP  23  -0.043   6.451   0.597
  172    HA   TRP  23           HA       TRP  23  -0.802   7.602  -1.881
  173    HB2  TRP  23          2HB       TRP  23   1.442   6.632  -1.612
  174    HB3  TRP  23          1HB       TRP  23   0.739   5.047  -1.318
  175    HD1  TRP  23           HD       TRP  23  -0.174   3.690  -3.448
  176    HE1  TRP  23          1HE       TRP  23   0.243   3.955  -5.980
  177    HE3  TRP  23          3HE       TRP  23   1.841   8.385  -3.471
  178    HZ2  TRP  23          2HZ       TRP  23   1.282   5.871  -7.737
  179    HZ3  TRP  23          3HZ       TRP  23   2.516   9.356  -5.627
  180    HH2  TRP  23           HH       TRP  23   2.241   8.121  -7.712
  181    H    CYS  24           H        CYS  24  -1.216   4.304  -0.639
  182    HA   CYS  24           HA       CYS  24  -2.848   3.710  -2.808
  183    HB2  CYS  24          2HB       CYS  24  -2.114   2.154  -0.380
  184    HB3  CYS  24          1HB       CYS  24  -3.232   1.497  -1.568
  185    H    MET  25           H        MET  25  -3.884   4.947   0.349
  186    HA   MET  25           HA       MET  25  -6.522   3.818  -0.117
  187    HB2  MET  25          2HB       MET  25  -5.644   3.913   2.201
  188    HB3  MET  25          1HB       MET  25  -5.550   5.663   2.088
  189    HG2  MET  25          2HG       MET  25  -7.988   5.768   1.809
  190    HG3  MET  25          1HG       MET  25  -8.069   4.015   1.955
  191    HE1  MET  25          1HE       MET  25  -9.675   5.225   5.305
  192    HE2  MET  25          2HE       MET  25  -9.870   4.211   3.877
  193    HE3  MET  25          3HE       MET  25  -9.828   5.967   3.712
  194    H    GLU  26           H        GLU  26  -4.790   6.781  -0.357
  195    HA   GLU  26           HA       GLU  26  -7.194   8.243  -0.903
  196    HB2  GLU  26          2HB       GLU  26  -4.325   9.045  -0.685
  197    HB3  GLU  26          1HB       GLU  26  -5.594  10.161  -1.124
  198    HG2  GLU  26          2HG       GLU  26  -6.720   9.472   1.078
  199    HG3  GLU  26          1HG       GLU  26  -5.182   8.713   1.482
  200    H    LYS  27           H        LYS  27  -4.505   6.903  -2.688
  201    HA   LYS  27           HA       LYS  27  -5.444   8.175  -5.135
  202    HB2  LYS  27          2HB       LYS  27  -3.117   8.383  -4.908
  203    HB3  LYS  27          1HB       LYS  27  -2.930   6.727  -4.370
  204    HG2  LYS  27          2HG       LYS  27  -2.028   6.958  -6.567
  205    HG3  LYS  27          1HG       LYS  27  -3.473   5.958  -6.638
  206    HD2  LYS  27          2HD       LYS  27  -4.743   7.946  -7.384
  207    HD3  LYS  27          1HD       LYS  27  -3.233   8.860  -7.431
  208    HE2  LYS  27          2HE       LYS  27  -3.997   6.446  -9.063
  209    HE3  LYS  27          1HE       LYS  27  -3.646   8.074  -9.641
  210    HZ1  LYS  27          1HZ       LYS  27  -1.769   6.649 -10.037
  211    HZ2  LYS  27          2HZ       LYS  27  -1.731   6.163  -8.443
  212    HZ3  LYS  27          3HZ       LYS  27  -1.331   7.754  -8.841
  213    H    GLU  28           H        GLU  28  -4.825   4.841  -3.900
  214    HA   GLU  28           HA       GLU  28  -5.856   3.791  -6.413
  215    HB2  GLU  28          2HB       GLU  28  -4.712   2.405  -3.991
  216    HB3  GLU  28          1HB       GLU  28  -5.061   1.661  -5.541
  217    HG2  GLU  28          2HG       GLU  28  -3.006   3.822  -5.090
  218    HG3  GLU  28          1HG       GLU  28  -2.656   2.098  -5.168
  219    H    ASP  29           H        ASP  29  -6.943   4.789  -3.504
  220    HA   ASP  29           HA       ASP  29  -8.685   4.533  -2.141
  221    HB2  ASP  29          2HB       ASP  29  -9.950   5.028  -4.245
  222    HB3  ASP  29          1HB       ASP  29 -10.084   3.300  -4.543
  223    H    ALA  30           H        ALA  30  -6.732   2.622  -2.168
  224    HA   ALA  30           HA       ALA  30  -7.757  -0.005  -1.803
  225    HB1  ALA  30          1HB       ALA  30  -5.375   0.401  -2.245
  226    HB2  ALA  30          2HB       ALA  30  -5.593  -0.456  -0.720
  227    HB3  ALA  30          3HB       ALA  30  -5.242   1.273  -0.718
  228    H    LYS  31           H        LYS  31  -7.710  -1.046   0.313
  229    HA   LYS  31           HA       LYS  31  -9.348   0.339   2.182
  230    HB2  LYS  31          2HB       LYS  31  -7.735  -2.184   2.586
  231    HB3  LYS  31          1HB       LYS  31  -8.947  -1.556   3.693
  232    HG2  LYS  31          2HG       LYS  31 -10.657  -1.847   1.941
  233    HG3  LYS  31          1HG       LYS  31  -9.419  -2.526   0.888
  234    HD2  LYS  31          2HD       LYS  31 -10.742  -4.277   1.982
  235    HD3  LYS  31          1HD       LYS  31  -9.046  -4.351   2.450
  236    HE2  LYS  31          2HE       LYS  31 -10.547  -4.701   4.354
  237    HE3  LYS  31          1HE       LYS  31  -9.545  -3.257   4.511
  238    HZ1  LYS  31          1HZ       LYS  31 -11.466  -1.906   3.862
  239    HZ2  LYS  31          2HZ       LYS  31 -11.813  -2.825   5.208
  240    HZ3  LYS  31          3HZ       LYS  31 -12.423  -3.283   3.713
  241    H    TYR  32           H        TYR  32  -5.965  -0.599   2.142
  242    HA   TYR  32           HA       TYR  32  -5.078   1.698   3.416
  243    HB2  TYR  32          2HB       TYR  32  -4.193   0.652   5.507
  244    HB3  TYR  32          1HB       TYR  32  -5.945   0.802   5.489
  245    HD1  TYR  32          1HD       TYR  32  -7.339  -1.291   5.304
  246    HD2  TYR  32          2HD       TYR  32  -3.089  -1.440   5.643
  247    HE1  TYR  32          1HE       TYR  32  -7.475  -3.627   5.981
  248    HE2  TYR  32          2HE       TYR  32  -3.228  -3.786   6.304
  249    HH   TYR  32           HH       TYR  32  -4.775  -5.325   7.236
  250    H    GLY  33           H        GLY  33  -2.694   1.455   3.945
  251    HA2  GLY  33          2HA       GLY  33  -1.478  -0.635   2.295
  252    HA3  GLY  33          1HA       GLY  33  -0.979   1.053   2.131
  253    H    SER  34           H        SER  34   0.457  -1.431   3.105
  254    HA   SER  34           HA       SER  34   1.472  -0.195   5.515
  255    HB2  SER  34          2HB       SER  34   0.550  -3.081   5.384
  256    HB3  SER  34          1HB       SER  34   1.420  -2.345   6.732
  257    HG   SER  34           HG       SER  34  -0.643  -0.795   6.134
  258    H    CYS  35           H        CYS  35   3.535  -1.449   6.221
  259    HA   CYS  35           HA       CYS  35   5.003  -2.005   3.753
  260    HB2  CYS  35          2HB       CYS  35   5.602   0.032   5.223
  261    HB3  CYS  35          1HB       CYS  35   6.179  -1.142   6.398
  262    H    SER  36           H        SER  36   5.939  -3.970   3.584
  263    HA   SER  36           HA       SER  36   6.097  -5.646   5.974
  264    HB2  SER  36          2HB       SER  36   4.058  -6.278   4.731
  265    HB3  SER  36          1HB       SER  36   5.009  -6.476   3.263
  266    HG   SER  36           HG       SER  36   4.556  -8.446   4.392
  267    H    HIS  37           H        HIS  37   8.200  -5.947   6.232
  268    HA   HIS  37           HA       HIS  37  10.358  -6.590   5.904
  269    HB2  HIS  37          2HB       HIS  37   9.345  -7.634   3.239
  270    HB3  HIS  37          1HB       HIS  37  10.985  -7.866   3.814
  271    HD1  HIS  37          1HD       HIS  37  11.380  -9.908   5.244
  272    HD2  HIS  37          2HD       HIS  37   7.349  -8.983   4.833
  273    HE1  HIS  37          1HE       HIS  37  10.122 -11.853   6.228
  274    H    GLY  38           H        GLY  38   9.233  -3.981   4.918
  275    HA2  GLY  38          2HA       GLY  38  10.368  -2.096   4.159
  276    HA3  GLY  38          1HA       GLY  38  11.629  -3.141   3.507
  277    H    ASP  39           H        ASP  39   8.709  -4.378   2.583
  278    HA   ASP  39           HA       ASP  39   8.774  -2.914   0.057
  279    HB2  ASP  39          2HB       ASP  39   7.940  -5.750   0.647
  280    HB3  ASP  39          1HB       ASP  39   7.517  -4.942  -0.853
  281    H    CYS  40           H        CYS  40   6.907  -2.184  -0.820
  282    HA   CYS  40           HA       CYS  40   4.970  -1.490   1.206
  283    HB2  CYS  40          2HB       CYS  40   5.994   0.233  -0.250
  284    HB3  CYS  40          1HB       CYS  40   5.221  -0.515  -1.641
  285    H    TYR  41           H        TYR  41   3.130  -2.522   1.475
  286    HA   TYR  41           HA       TYR  41   1.952  -3.960  -0.786
  287    HB2  TYR  41          2HB       TYR  41   2.185  -4.764   2.104
  288    HB3  TYR  41          1HB       TYR  41   0.923  -5.423   1.081
  289    HD1  TYR  41          1HD       TYR  41   1.350  -7.256  -0.287
  290    HD2  TYR  41          2HD       TYR  41   4.665  -5.109   1.323
  291    HE1  TYR  41          1HE       TYR  41   2.866  -8.975  -1.119
  292    HE2  TYR  41          2HE       TYR  41   6.172  -6.819   0.498
  293    HH   TYR  41           HH       TYR  41   6.135  -9.151  -0.152
  294    H    CYS  42           H        CYS  42   0.020  -3.334  -1.324
  295    HA   CYS  42           HA       CYS  42  -1.448  -1.661   0.565
  296    HB2  CYS  42          2HB       CYS  42  -1.561  -1.698  -2.458
  297    HB3  CYS  42          1HB       CYS  42  -2.514  -0.644  -1.411
  298    H    TYR  43           H        TYR  43  -3.444  -2.256   1.137
  299    HA   TYR  43           HA       TYR  43  -4.225  -4.898   0.211
  300    HB2  TYR  43          2HB       TYR  43  -4.760  -3.444   2.786
  301    HB3  TYR  43          1HB       TYR  43  -5.525  -4.970   2.348
  302    HD1  TYR  43          1HD       TYR  43  -2.408  -3.351   3.395
  303    HD2  TYR  43          2HD       TYR  43  -4.229  -7.027   2.281
  304    HE1  TYR  43          1HE       TYR  43  -0.498  -4.568   4.313
  305    HE2  TYR  43          2HE       TYR  43  -2.324  -8.256   3.205
  306    HH   TYR  43           HH       TYR  43  -0.075  -6.770   5.224
  307    H    TYR  44           H        TYR  44  -5.978  -5.197  -0.798
  308    HA   TYR  44           HA       TYR  44  -7.958  -3.033  -0.976
  309    HB2  TYR  44          2HB       TYR  44  -7.228  -5.140  -3.023
  310    HB3  TYR  44          1HB       TYR  44  -8.556  -3.999  -3.189
  311    HD1  TYR  44          1HD       TYR  44  -8.122  -1.658  -3.626
  312    HD2  TYR  44          2HD       TYR  44  -4.940  -4.446  -3.296
  313    HE1  TYR  44          1HE       TYR  44  -6.609  -0.030  -4.619
  314    HE2  TYR  44          2HE       TYR  44  -3.411  -2.833  -4.293
  315    HH   TYR  44           HH       TYR  44  -3.572  -0.816  -5.835
  316    H    HIS  45           H        HIS  45 -10.107  -3.689  -1.021
  317    HA   HIS  45           HA       HIS  45 -10.751  -6.039   0.453
  318    HB2  HIS  45          2HB       HIS  45 -12.066  -3.830   0.364
  319    HB3  HIS  45          1HB       HIS  45 -12.641  -4.352  -1.206
  320    HD1  HIS  45          1HD       HIS  45 -14.952  -5.253  -1.007
  321    HD2  HIS  45          2HD       HIS  45 -12.639  -6.131   2.329
  322    HE1  HIS  45          1HE       HIS  45 -16.477  -6.462   0.600
  323    H    CYS  46           H        CYS  46 -10.417  -7.929  -0.422
  324    HA   CYS  46           HA       CYS  46  -9.760  -8.852  -2.772
  325    HB2  CYS  46          2HB       CYS  46 -11.674 -10.238  -0.922
  326    HB3  CYS  46          1HB       CYS  46 -10.642 -11.010  -2.124
  Start of MODEL   19
    1    H1   ALA   1           H        ALA   1 -14.724  -7.215   5.582
    2    HA   ALA   1           HA       ALA   1 -14.263  -8.806   3.372
    3    HB1  ALA   1          1HB       ALA   1 -13.106  -6.912   2.408
    4    HB2  ALA   1          2HB       ALA   1 -12.860  -6.220   4.003
    5    HB3  ALA   1          3HB       ALA   1 -14.493  -6.340   3.339
    6    H    LYS   2           H        LYS   2 -12.371  -9.499   2.329
    7    HA   LYS   2           HA       LYS   2 -10.387 -10.479   4.190
    8    HB2  LYS   2          2HB       LYS   2 -11.422 -12.022   2.554
    9    HB3  LYS   2          1HB       LYS   2 -10.796 -11.035   1.242
   10    HG2  LYS   2          2HG       LYS   2  -8.510 -11.539   1.975
   11    HG3  LYS   2          1HG       LYS   2  -9.163 -12.555   3.260
   12    HD2  LYS   2          2HD       LYS   2 -10.222 -13.985   1.572
   13    HD3  LYS   2          1HD       LYS   2  -9.522 -12.981   0.296
   14    HE2  LYS   2          2HE       LYS   2  -7.278 -13.507   1.163
   15    HE3  LYS   2          1HE       LYS   2  -8.010 -14.549   2.373
   16    HZ1  LYS   2          1HZ       LYS   2  -8.877 -15.948   0.576
   17    HZ2  LYS   2          2HZ       LYS   2  -7.219 -15.823   0.519
   18    HZ3  LYS   2          3HZ       LYS   2  -8.144 -14.948  -0.569
   19    H    HIS   3           H        HIS   3  -8.652  -9.254   4.527
   20    HA   HIS   3           HA       HIS   3  -7.943  -7.134   2.759
   21    HB2  HIS   3          2HB       HIS   3  -6.049  -6.719   4.275
   22    HB3  HIS   3          1HB       HIS   3  -7.554  -6.850   5.177
   23    HD1  HIS   3          1HD       HIS   3  -7.752  -9.034   6.750
   24    HD2  HIS   3          2HD       HIS   3  -4.077  -8.508   4.887
   25    HE1  HIS   3          1HE       HIS   3  -6.161 -10.590   7.904
   26    H    CYS   4           H        CYS   4  -6.610  -7.163   1.113
   27    HA   CYS   4           HA       CYS   4  -4.837  -9.472   0.826
   28    HB2  CYS   4          2HB       CYS   4  -6.481  -8.126  -1.322
   29    HB3  CYS   4          1HB       CYS   4  -5.358  -9.449  -1.595
   30    H    GLY   5           H        GLY   5  -2.766  -8.812   0.788
   31    HA2  GLY   5          2HA       GLY   5  -2.126  -6.043   0.217
   32    HA3  GLY   5          1HA       GLY   5  -1.033  -7.280   0.828
   33    H    LYS   6           H        LYS   6  -1.928  -5.506  -1.819
   34    HA   LYS   6           HA       LYS   6  -1.253  -7.420  -3.867
   35    HB2  LYS   6          2HB       LYS   6  -2.914  -5.530  -4.066
   36    HB3  LYS   6          1HB       LYS   6  -1.548  -4.427  -4.080
   37    HG2  LYS   6          2HG       LYS   6  -0.726  -5.607  -6.121
   38    HG3  LYS   6          1HG       LYS   6  -2.235  -6.525  -6.124
   39    HD2  LYS   6          2HD       LYS   6  -3.458  -4.335  -6.137
   40    HD3  LYS   6          1HD       LYS   6  -1.904  -3.544  -6.377
   41    HE2  LYS   6          2HE       LYS   6  -2.942  -3.791  -8.508
   42    HE3  LYS   6          1HE       LYS   6  -1.593  -4.921  -8.419
   43    HZ1  LYS   6          1HZ       LYS   6  -4.444  -5.630  -7.986
   44    HZ2  LYS   6          2HZ       LYS   6  -3.161  -6.725  -8.007
   45    HZ3  LYS   6          3HZ       LYS   6  -3.583  -5.887  -9.393
   46    H    HIS   7           H        HIS   7   0.642  -7.297  -5.198
   47    HA   HIS   7           HA       HIS   7   2.997  -6.693  -3.913
   48    HB2  HIS   7          2HB       HIS   7   4.062  -7.276  -5.990
   49    HB3  HIS   7          1HB       HIS   7   2.755  -8.397  -5.687
   50    HD1  HIS   7          1HD       HIS   7   0.796  -8.420  -7.454
   51    HD2  HIS   7          2HD       HIS   7   3.765  -5.611  -8.196
   52    HE1  HIS   7          1HE       HIS   7   0.396  -7.587  -9.781
   53    H    SER   8           H        SER   8   4.592  -5.193  -4.509
   54    HA   SER   8           HA       SER   8   3.506  -2.570  -4.633
   55    HB2  SER   8          2HB       SER   8   6.395  -3.379  -4.467
   56    HB3  SER   8          1HB       SER   8   5.644  -1.880  -3.907
   57    HG   SER   8           HG       SER   8   4.520  -3.050  -2.364
   58    H    LYS   9           H        LYS   9   2.787  -2.984  -7.007
   59    HA   LYS   9           HA       LYS   9   4.990  -2.363  -8.820
   60    HB2  LYS   9          2HB       LYS   9   3.409  -2.543 -10.683
   61    HB3  LYS   9          1HB       LYS   9   3.315  -3.967  -9.669
   62    HG2  LYS   9          2HG       LYS   9   1.260  -3.162  -8.691
   63    HG3  LYS   9          1HG       LYS   9   1.383  -1.665  -9.620
   64    HD2  LYS   9          2HD       LYS   9   1.349  -3.056 -11.704
   65    HD3  LYS   9          1HD       LYS   9   1.024  -4.459 -10.694
   66    HE2  LYS   9          2HE       LYS   9  -1.030  -3.580 -11.653
   67    HE3  LYS   9          1HE       LYS   9  -1.040  -3.417  -9.896
   68    HZ1  LYS   9          1HZ       LYS   9  -0.438  -1.089 -10.165
   69    HZ2  LYS   9          2HZ       LYS   9  -1.866  -1.424 -11.002
   70    HZ3  LYS   9          3HZ       LYS   9  -0.422  -1.268 -11.841
   71    H    SER  10           H        SER  10   3.138  -0.785  -6.780
   72    HA   SER  10           HA       SER  10   3.286   1.798  -8.164
   73    HB2  SER  10          2HB       SER  10   2.012   1.039  -5.497
   74    HB3  SER  10          1HB       SER  10   1.791   2.557  -6.370
   75    HG   SER  10           HG       SER  10   0.055   1.463  -7.014
   76    H    TRP  11           H        TRP  11   5.531   0.369  -7.528
   77    HA   TRP  11           HA       TRP  11   6.742   0.240  -5.113
   78    HB2  TRP  11          2HB       TRP  11   7.582  -0.817  -7.142
   79    HB3  TRP  11          1HB       TRP  11   8.030   0.749  -7.794
   80    HD1  TRP  11           HD       TRP  11   9.138  -1.848  -5.219
   81    HE1  TRP  11          1HE       TRP  11  11.568  -1.381  -4.559
   82    HE3  TRP  11          3HE       TRP  11   9.785   2.604  -7.638
   83    HZ2  TRP  11          2HZ       TRP  11  13.523   0.625  -5.011
   84    HZ3  TRP  11          3HZ       TRP  11  11.972   3.731  -7.469
   85    HH2  TRP  11           HH       TRP  11  13.791   2.757  -6.187
   86    H    ASN  12           H        ASN  12   7.933   1.438  -3.814
   87    HA   ASN  12           HA       ASN  12   8.749   4.109  -4.565
   88    HB2  ASN  12          2HB       ASN  12   6.568   4.285  -3.311
   89    HB3  ASN  12          1HB       ASN  12   7.298   3.412  -1.978
   90   HD21  ASN  12          1HD2      ASN  12   9.047   5.901  -3.795
   91   HD22  ASN  12          2HD2      ASN  12   9.058   7.045  -2.524
   92    H    GLY  13           H        GLY  13  10.838   4.400  -3.912
   93    HA2  GLY  13          2HA       GLY  13  12.484   2.293  -3.308
   94    HA3  GLY  13          1HA       GLY  13  12.900   3.971  -3.023
   95    H    LYS  14           H        LYS  14  11.751   4.823  -1.007
   96    HA   LYS  14           HA       LYS  14  12.299   2.960   1.166
   97    HB2  LYS  14          2HB       LYS  14  13.257   5.127   1.525
   98    HB3  LYS  14          1HB       LYS  14  11.732   5.910   1.091
   99    HG2  LYS  14          2HG       LYS  14  12.211   6.057   3.487
  100    HG3  LYS  14          1HG       LYS  14  10.728   5.175   3.154
  101    HD2  LYS  14          2HD       LYS  14  11.971   3.060   3.479
  102    HD3  LYS  14          1HD       LYS  14  13.410   3.996   3.903
  103    HE2  LYS  14          2HE       LYS  14  12.279   4.971   5.803
  104    HE3  LYS  14          1HE       LYS  14  10.763   4.210   5.330
  105    HZ1  LYS  14          1HZ       LYS  14  11.868   3.043   7.144
  106    HZ2  LYS  14          2HZ       LYS  14  13.205   2.738   6.171
  107    HZ3  LYS  14          3HZ       LYS  14  11.700   2.075   5.784
  108    H    CYS  15           H        CYS  15  10.740   2.074   2.274
  109    HA   CYS  15           HA       CYS  15   8.057   2.604   1.404
  110    HB2  CYS  15          2HB       CYS  15   8.818   0.258   1.856
  111    HB3  CYS  15          1HB       CYS  15   8.942   0.673   3.563
  112    H    PHE  16           H        PHE  16   7.718   4.617   2.051
  113    HA   PHE  16           HA       PHE  16   7.932   5.447   4.784
  114    HB2  PHE  16          2HB       PHE  16   6.461   6.634   2.427
  115    HB3  PHE  16          1HB       PHE  16   6.644   7.417   3.996
  116    HD1  PHE  16          1HD       PHE  16   8.210   6.645   0.786
  117    HD2  PHE  16          2HD       PHE  16   8.830   8.258   4.677
  118    HE1  PHE  16          1HE       PHE  16  10.235   7.737   0.001
  119    HE2  PHE  16          2HE       PHE  16  10.881   9.349   3.889
  120    HZ   PHE  16           HZ       PHE  16  11.586   9.098   1.558
  121    H    HIS  17           H        HIS  17   6.563   4.768   6.274
  122    HA   HIS  17           HA       HIS  17   4.503   2.965   5.835
  123    HB2  HIS  17          2HB       HIS  17   4.845   4.740   8.262
  124    HB3  HIS  17          1HB       HIS  17   3.850   3.300   8.184
  125    HD1  HIS  17          1HD       HIS  17   6.948   4.289   9.534
  126    HD2  HIS  17          2HD       HIS  17   5.705   1.014   7.304
  127    HE1  HIS  17          1HE       HIS  17   8.614   2.481   9.984
  128    H    LYS  18           H        LYS  18   3.920   6.192   7.204
  129    HA   LYS  18           HA       LYS  18   1.139   6.000   6.706
  130    HB2  LYS  18          2HB       LYS  18   2.152   7.314   8.561
  131    HB3  LYS  18          1HB       LYS  18   2.754   8.460   7.376
  132    HG2  LYS  18          2HG       LYS  18   0.441   8.980   6.726
  133    HG3  LYS  18          1HG       LYS  18  -0.141   7.863   7.960
  134    HD2  LYS  18          2HD       LYS  18   1.001   9.220   9.677
  135    HD3  LYS  18          1HD       LYS  18   1.497  10.356   8.426
  136    HE2  LYS  18          2HE       LYS  18  -1.336   9.699   9.256
  137    HE3  LYS  18          1HE       LYS  18  -0.467  11.193   9.585
  138    HZ1  LYS  18          1HZ       LYS  18  -1.333  10.201   6.914
  139    HZ2  LYS  18          2HZ       LYS  18  -0.410  11.593   7.146
  140    HZ3  LYS  18          3HZ       LYS  18  -1.964  11.503   7.763
  141    H    LYS  19           H        LYS  19   3.781   7.483   5.005
  142    HA   LYS  19           HA       LYS  19   2.281   9.098   3.250
  143    HB2  LYS  19          2HB       LYS  19   4.660   9.458   3.635
  144    HB3  LYS  19          1HB       LYS  19   5.015   7.894   2.928
  145    HG2  LYS  19          2HG       LYS  19   5.571   9.649   1.375
  146    HG3  LYS  19          1HG       LYS  19   4.217   8.708   0.756
  147    HD2  LYS  19          2HD       LYS  19   2.663  10.438   1.479
  148    HD3  LYS  19          1HD       LYS  19   3.997  11.364   2.173
  149    HE2  LYS  19          2HE       LYS  19   5.006  11.577  -0.032
  150    HE3  LYS  19          1HE       LYS  19   3.695  10.635  -0.737
  151    HZ1  LYS  19          1HZ       LYS  19   3.378  13.272   0.609
  152    HZ2  LYS  19          2HZ       LYS  19   2.155  12.364  -0.115
  153    HZ3  LYS  19          3HZ       LYS  19   3.390  12.994  -1.052
  154    H    CYS  20           H        CYS  20   3.655   5.792   2.770
  155    HA   CYS  20           HA       CYS  20   2.483   5.643   0.175
  156    HB2  CYS  20          2HB       CYS  20   4.538   4.356   0.828
  157    HB3  CYS  20          1HB       CYS  20   3.528   3.355   1.865
  158    H    ASN  21           H        ASN  21   1.537   4.760   3.414
  159    HA   ASN  21           HA       ASN  21  -0.707   3.200   2.972
  160    HB2  ASN  21          2HB       ASN  21   0.097   3.683   5.218
  161    HB3  ASN  21          1HB       ASN  21  -0.263   5.389   5.010
  162   HD21  ASN  21          1HD2      ASN  21  -1.633   5.546   6.686
  163   HD22  ASN  21          2HD2      ASN  21  -3.179   4.785   6.759
  164    H    HIS  22           H        HIS  22  -0.557   6.750   3.219
  165    HA   HIS  22           HA       HIS  22  -3.268   7.060   2.410
  166    HB2  HIS  22          2HB       HIS  22  -1.053   9.093   2.712
  167    HB3  HIS  22          1HB       HIS  22  -2.687   9.524   2.217
  168    HD1  HIS  22          1HD       HIS  22  -4.316  10.001   4.123
  169    HD2  HIS  22          2HD       HIS  22  -0.962   7.875   5.321
  170    HE1  HIS  22          1HE       HIS  22  -4.508   9.772   6.595
  171    H    TRP  23           H        TRP  23  -0.241   6.990   0.714
  172    HA   TRP  23           HA       TRP  23  -1.036   8.074  -1.734
  173    HB2  TRP  23          2HB       TRP  23   1.326   7.406  -1.122
  174    HB3  TRP  23          1HB       TRP  23   0.849   5.727  -1.340
  175    HD1  TRP  23           HD       TRP  23   0.110   5.046  -3.960
  176    HE1  TRP  23          1HE       TRP  23   1.029   5.947  -6.189
  177    HE3  TRP  23          3HE       TRP  23   2.334   9.318  -2.246
  178    HZ2  TRP  23          2HZ       TRP  23   2.532   8.172  -7.093
  179    HZ3  TRP  23          3HZ       TRP  23   3.502  10.771  -3.856
  180    HH2  TRP  23           HH       TRP  23   3.594  10.201  -6.226
  181    H    CYS  24           H        CYS  24  -0.900   4.631  -0.806
  182    HA   CYS  24           HA       CYS  24  -2.419   3.888  -3.027
  183    HB2  CYS  24          2HB       CYS  24  -1.565   2.384  -0.581
  184    HB3  CYS  24          1HB       CYS  24  -2.665   1.659  -1.750
  185    H    MET  25           H        MET  25  -3.393   4.552   0.307
  186    HA   MET  25           HA       MET  25  -5.977   3.522   0.131
  187    HB2  MET  25          2HB       MET  25  -4.985   4.193   2.270
  188    HB3  MET  25          1HB       MET  25  -5.034   5.877   1.775
  189    HG2  MET  25          2HG       MET  25  -7.470   5.811   1.730
  190    HG3  MET  25          1HG       MET  25  -7.438   4.111   2.186
  191    HE1  MET  25          1HE       MET  25  -9.112   4.633   4.180
  192    HE2  MET  25          2HE       MET  25  -9.138   6.325   3.691
  193    HE3  MET  25          3HE       MET  25  -8.848   5.900   5.378
  194    H    GLU  26           H        GLU  26  -4.822   6.744  -0.735
  195    HA   GLU  26           HA       GLU  26  -7.516   7.479  -1.493
  196    HB2  GLU  26          2HB       GLU  26  -5.996   9.033  -0.249
  197    HB3  GLU  26          1HB       GLU  26  -4.952   9.083  -1.650
  198    HG2  GLU  26          2HG       GLU  26  -7.820   9.941  -1.830
  199    HG3  GLU  26          1HG       GLU  26  -6.588  11.020  -1.199
  200    H    LYS  27           H        LYS  27  -4.335   7.286  -3.120
  201    HA   LYS  27           HA       LYS  27  -5.460   7.929  -5.642
  202    HB2  LYS  27          2HB       LYS  27  -3.152   8.534  -4.989
  203    HB3  LYS  27          1HB       LYS  27  -2.720   6.835  -4.997
  204    HG2  LYS  27          2HG       LYS  27  -1.937   7.877  -7.024
  205    HG3  LYS  27          1HG       LYS  27  -3.238   6.747  -7.411
  206    HD2  LYS  27          2HD       LYS  27  -4.828   8.625  -7.483
  207    HD3  LYS  27          1HD       LYS  27  -3.507   9.730  -7.116
  208    HE2  LYS  27          2HE       LYS  27  -2.407   9.137  -9.196
  209    HE3  LYS  27          1HE       LYS  27  -3.688   7.978  -9.554
  210    HZ1  LYS  27          1HZ       LYS  27  -5.275   9.839  -9.567
  211    HZ2  LYS  27          2HZ       LYS  27  -4.095   9.997 -10.738
  212    HZ3  LYS  27          3HZ       LYS  27  -4.001  10.927  -9.334
  213    H    GLU  28           H        GLU  28  -4.486   4.872  -4.107
  214    HA   GLU  28           HA       GLU  28  -4.870   3.483  -6.647
  215    HB2  GLU  28          2HB       GLU  28  -3.746   2.541  -4.017
  216    HB3  GLU  28          1HB       GLU  28  -3.838   1.582  -5.481
  217    HG2  GLU  28          2HG       GLU  28  -2.295   4.153  -5.261
  218    HG3  GLU  28          1HG       GLU  28  -1.595   2.554  -5.016
  219    H    ASP  29           H        ASP  29  -6.673   4.339  -4.036
  220    HA   ASP  29           HA       ASP  29  -8.729   3.794  -3.233
  221    HB2  ASP  29          2HB       ASP  29  -9.285   3.350  -5.673
  222    HB3  ASP  29          1HB       ASP  29  -8.838   1.676  -5.407
  223    H    ALA  30           H        ALA  30  -6.225   2.469  -2.474
  224    HA   ALA  30           HA       ALA  30  -6.961  -0.176  -1.591
  225    HB1  ALA  30          1HB       ALA  30  -4.593   1.527  -0.814
  226    HB2  ALA  30          2HB       ALA  30  -4.618   0.337  -2.118
  227    HB3  ALA  30          3HB       ALA  30  -4.800  -0.185  -0.442
  228    H    LYS  31           H        LYS  31  -6.877  -0.702   0.714
  229    HA   LYS  31           HA       LYS  31  -8.421   1.299   2.114
  230    HB2  LYS  31          2HB       LYS  31  -7.831  -1.576   2.805
  231    HB3  LYS  31          1HB       LYS  31  -8.826  -0.502   3.789
  232    HG2  LYS  31          2HG       LYS  31 -10.340  -0.176   1.884
  233    HG3  LYS  31          1HG       LYS  31  -9.371  -1.305   0.940
  234    HD2  LYS  31          2HD       LYS  31  -9.905  -3.089   2.463
  235    HD3  LYS  31          1HD       LYS  31 -10.777  -1.983   3.519
  236    HE2  LYS  31          2HE       LYS  31 -11.489  -2.714   0.689
  237    HE3  LYS  31          1HE       LYS  31 -12.329  -3.220   2.152
  238    HZ1  LYS  31          1HZ       LYS  31 -12.869  -0.832   2.546
  239    HZ2  LYS  31          2HZ       LYS  31 -13.523  -1.462   1.147
  240    HZ3  LYS  31          3HZ       LYS  31 -12.200  -0.453   1.036
  241    H    TYR  32           H        TYR  32  -5.370  -0.383   2.412
  242    HA   TYR  32           HA       TYR  32  -4.277   1.863   3.703
  243    HB2  TYR  32          2HB       TYR  32  -3.489   0.740   5.766
  244    HB3  TYR  32          1HB       TYR  32  -5.237   0.853   5.715
  245    HD1  TYR  32          1HD       TYR  32  -6.594  -1.207   5.402
  246    HD2  TYR  32          2HD       TYR  32  -2.362  -1.369   5.800
  247    HE1  TYR  32          1HE       TYR  32  -6.742  -3.598   5.909
  248    HE2  TYR  32          2HE       TYR  32  -2.494  -3.757   6.301
  249    HH   TYR  32           HH       TYR  32  -4.025  -5.367   7.077
  250    H    GLY  33           H        GLY  33  -2.049   1.813   3.726
  251    HA2  GLY  33          2HA       GLY  33  -0.882  -0.386   2.151
  252    HA3  GLY  33          1HA       GLY  33  -0.298   1.282   2.092
  253    H    SER  34           H        SER  34   0.794  -1.476   3.076
  254    HA   SER  34           HA       SER  34   1.882  -0.326   5.512
  255    HB2  SER  34          2HB       SER  34  -0.001  -1.866   6.122
  256    HB3  SER  34          1HB       SER  34   0.869  -3.177   5.336
  257    HG   SER  34           HG       SER  34   1.940  -1.609   7.416
  258    H    CYS  35           H        CYS  35   3.953  -0.922   5.931
  259    HA   CYS  35           HA       CYS  35   5.459  -1.884   3.710
  260    HB2  CYS  35          2HB       CYS  35   6.309  -1.089   6.493
  261    HB3  CYS  35          1HB       CYS  35   7.407  -1.480   5.172
  262    H    SER  36           H        SER  36   6.106  -3.845   3.357
  263    HA   SER  36           HA       SER  36   6.397  -5.691   5.556
  264    HB2  SER  36          2HB       SER  36   4.071  -5.928   4.594
  265    HB3  SER  36          1HB       SER  36   4.815  -6.323   3.052
  266    HG   SER  36           HG       SER  36   4.925  -7.735   5.476
  267    H    HIS  37           H        HIS  37   8.330  -6.515   5.317
  268    HA   HIS  37           HA       HIS  37  10.268  -7.333   4.504
  269    HB2  HIS  37          2HB       HIS  37   8.765  -7.584   1.882
  270    HB3  HIS  37          1HB       HIS  37  10.336  -8.304   2.204
  271    HD1  HIS  37          1HD       HIS  37   6.724  -8.913   2.547
  272    HD2  HIS  37          2HD       HIS  37  10.235 -10.398   4.187
  273    HE1  HIS  37          1HE       HIS  37   6.115 -11.116   3.619
  274    H    GLY  38           H        GLY  38   9.362  -4.435   4.116
  275    HA2  GLY  38          2HA       GLY  38  10.807  -2.619   3.665
  276    HA3  GLY  38          1HA       GLY  38  11.684  -3.630   2.520
  277    H    ASP  39           H        ASP  39   8.678  -4.366   1.772
  278    HA   ASP  39           HA       ASP  39   8.529  -2.281  -0.275
  279    HB2  ASP  39          2HB       ASP  39   7.489  -5.086  -0.188
  280    HB3  ASP  39          1HB       ASP  39   6.916  -3.929  -1.381
  281    H    CYS  40           H        CYS  40   6.434  -1.558  -0.909
  282    HA   CYS  40           HA       CYS  40   4.742  -1.260   1.442
  283    HB2  CYS  40          2HB       CYS  40   5.473   0.805   0.320
  284    HB3  CYS  40          1HB       CYS  40   4.721   0.257  -1.174
  285    H    TYR  41           H        TYR  41   3.263  -2.751   1.594
  286    HA   TYR  41           HA       TYR  41   2.046  -3.799  -0.819
  287    HB2  TYR  41          2HB       TYR  41   2.157  -4.770   2.025
  288    HB3  TYR  41          1HB       TYR  41   0.950  -5.391   0.904
  289    HD1  TYR  41          1HD       TYR  41   1.466  -7.173  -0.471
  290    HD2  TYR  41          2HD       TYR  41   4.669  -4.949   1.248
  291    HE1  TYR  41          1HE       TYR  41   3.048  -8.782  -1.361
  292    HE2  TYR  41          2HE       TYR  41   6.261  -6.574   0.381
  293    HH   TYR  41           HH       TYR  41   6.439  -8.697  -0.498
  294    H    CYS  42           H        CYS  42   0.326  -2.918  -1.474
  295    HA   CYS  42           HA       CYS  42  -1.249  -1.304   0.343
  296    HB2  CYS  42          2HB       CYS  42  -1.396  -1.553  -2.677
  297    HB3  CYS  42          1HB       CYS  42  -2.197  -0.327  -1.688
  298    H    TYR  43           H        TYR  43  -2.995  -2.087   1.231
  299    HA   TYR  43           HA       TYR  43  -3.895  -4.704   0.389
  300    HB2  TYR  43          2HB       TYR  43  -4.338  -3.138   2.923
  301    HB3  TYR  43          1HB       TYR  43  -5.127  -4.671   2.586
  302    HD1  TYR  43          1HD       TYR  43  -4.085  -6.646   3.256
  303    HD2  TYR  43          2HD       TYR  43  -1.708  -3.151   2.800
  304    HE1  TYR  43          1HE       TYR  43  -2.143  -7.845   4.165
  305    HE2  TYR  43          2HE       TYR  43   0.224  -4.333   3.698
  306    HH   TYR  43           HH       TYR  43   0.765  -6.266   5.075
  307    H    TYR  44           H        TYR  44  -5.634  -5.094  -0.545
  308    HA   TYR  44           HA       TYR  44  -7.844  -3.138  -0.647
  309    HB2  TYR  44          2HB       TYR  44  -7.066  -5.197  -2.745
  310    HB3  TYR  44          1HB       TYR  44  -8.379  -4.037  -2.870
  311    HD1  TYR  44          1HD       TYR  44  -4.795  -4.566  -3.130
  312    HD2  TYR  44          2HD       TYR  44  -7.895  -1.670  -3.285
  313    HE1  TYR  44          1HE       TYR  44  -3.250  -2.987  -4.169
  314    HE2  TYR  44          2HE       TYR  44  -6.355  -0.079  -4.326
  315    HH   TYR  44           HH       TYR  44  -3.400  -0.941  -5.635
  316    H    HIS  45           H        HIS  45  -9.897  -4.577  -1.315
  317    HA   HIS  45           HA       HIS  45  -9.799  -6.911   0.438
  318    HB2  HIS  45          2HB       HIS  45 -12.223  -6.772   0.614
  319    HB3  HIS  45          1HB       HIS  45 -11.509  -5.232   1.068
  320    HD1  HIS  45          1HD       HIS  45 -14.238  -6.587  -0.835
  321    HD2  HIS  45          2HD       HIS  45 -11.668  -3.357  -1.315
  322    HE1  HIS  45          1HE       HIS  45 -15.406  -5.004  -2.385
  323    H    CYS  46           H        CYS  46 -10.162  -8.888  -0.338
  324    HA   CYS  46           HA       CYS  46 -10.667  -9.146  -3.183
  325    HB2  CYS  46          2HB       CYS  46  -9.994 -11.240  -1.098
  326    HB3  CYS  46          1HB       CYS  46 -10.244 -11.585  -2.804
  Start of MODEL   20
    1    H1   ALA   1           H        ALA   1  -9.482 -14.439   8.017
    2    HA   ALA   1           HA       ALA   1  -9.977 -11.501   7.966
    3    HB1  ALA   1          1HB       ALA   1  -7.357 -13.002   8.068
    4    HB2  ALA   1          2HB       ALA   1  -8.107 -12.144   9.416
    5    HB3  ALA   1          3HB       ALA   1  -7.542 -11.250   8.007
    6    H    LYS   2           H        LYS   2  -9.499 -10.380   6.094
    7    HA   LYS   2           HA       LYS   2  -8.559 -11.929   3.857
    8    HB2  LYS   2          2HB       LYS   2 -10.334 -10.979   2.363
    9    HB3  LYS   2          1HB       LYS   2 -10.945 -12.100   3.564
   10    HG2  LYS   2          2HG       LYS   2 -11.743 -10.207   4.909
   11    HG3  LYS   2          1HG       LYS   2 -11.127  -9.092   3.689
   12    HD2  LYS   2          2HD       LYS   2 -12.615 -10.133   2.020
   13    HD3  LYS   2          1HD       LYS   2 -13.263 -11.187   3.276
   14    HE2  LYS   2          2HE       LYS   2 -14.046  -9.198   4.513
   15    HE3  LYS   2          1HE       LYS   2 -13.416  -8.173   3.227
   16    HZ1  LYS   2          1HZ       LYS   2 -14.949  -9.254   1.691
   17    HZ2  LYS   2          2HZ       LYS   2 -15.776  -8.529   2.964
   18    HZ3  LYS   2          3HZ       LYS   2 -15.566 -10.198   2.941
   19    H    HIS   3           H        HIS   3  -6.651 -10.839   4.120
   20    HA   HIS   3           HA       HIS   3  -6.742  -7.962   3.581
   21    HB2  HIS   3          2HB       HIS   3  -4.476  -9.599   4.759
   22    HB3  HIS   3          1HB       HIS   3  -4.442  -7.860   4.480
   23    HD1  HIS   3          1HD       HIS   3  -4.483  -9.721   7.312
   24    HD2  HIS   3          2HD       HIS   3  -7.256  -7.034   5.784
   25    HE1  HIS   3          1HE       HIS   3  -5.894  -8.970   9.271
   26    H    CYS   4           H        CYS   4  -6.911  -7.942   1.448
   27    HA   CYS   4           HA       CYS   4  -5.033  -9.486  -0.125
   28    HB2  CYS   4          2HB       CYS   4  -7.623  -8.119  -0.717
   29    HB3  CYS   4          1HB       CYS   4  -6.653  -8.706  -2.043
   30    H    GLY   5           H        GLY   5  -3.204  -8.588  -0.662
   31    HA2  GLY   5          2HA       GLY   5  -2.986  -5.696  -0.630
   32    HA3  GLY   5          1HA       GLY   5  -1.663  -6.846  -0.598
   33    H    LYS   6           H        LYS   6  -1.918  -4.597  -2.179
   34    HA   LYS   6           HA       LYS   6  -2.643  -4.950  -4.860
   35    HB2  LYS   6          2HB       LYS   6  -2.053  -2.785  -3.858
   36    HB3  LYS   6          1HB       LYS   6  -0.396  -3.323  -3.686
   37    HG2  LYS   6          2HG       LYS   6  -0.509  -1.841  -5.556
   38    HG3  LYS   6          1HG       LYS   6  -0.257  -3.471  -6.180
   39    HD2  LYS   6          2HD       LYS   6  -2.645  -3.629  -6.688
   40    HD3  LYS   6          1HD       LYS   6  -2.892  -2.010  -6.043
   41    HE2  LYS   6          2HE       LYS   6  -2.784  -1.796  -8.423
   42    HE3  LYS   6          1HE       LYS   6  -1.279  -1.164  -7.769
   43    HZ1  LYS   6          1HZ       LYS   6  -1.670  -3.837  -8.992
   44    HZ2  LYS   6          2HZ       LYS   6  -0.197  -3.282  -8.387
   45    HZ3  LYS   6          3HZ       LYS   6  -0.918  -2.525  -9.704
   46    H    HIS   7           H        HIS   7  -1.706  -5.973  -6.466
   47    HA   HIS   7           HA       HIS   7   0.751  -7.409  -6.245
   48    HB2  HIS   7          2HB       HIS   7  -1.103  -7.969  -7.867
   49    HB3  HIS   7          1HB       HIS   7  -0.755  -6.472  -8.717
   50    HD1  HIS   7          1HD       HIS   7   0.839  -6.685 -10.613
   51    HD2  HIS   7          2HD       HIS   7   1.174  -9.786  -7.881
   52    HE1  HIS   7          1HE       HIS   7   2.484  -8.315 -11.615
   53    H    SER   8           H        SER   8   2.513  -6.157  -5.835
   54    HA   SER   8           HA       SER   8   2.369  -3.438  -6.682
   55    HB2  SER   8          2HB       SER   8   2.872  -3.986  -4.341
   56    HB3  SER   8          1HB       SER   8   4.370  -4.757  -4.859
   57    HG   SER   8           HG       SER   8   5.263  -2.902  -5.017
   58    H    LYS   9           H        LYS   9   3.021  -2.960  -8.518
   59    HA   LYS   9           HA       LYS   9   5.358  -4.212  -9.761
   60    HB2  LYS   9          2HB       LYS   9   3.247  -3.964 -11.056
   61    HB3  LYS   9          1HB       LYS   9   3.335  -2.229 -10.814
   62    HG2  LYS   9          2HG       LYS   9   5.450  -2.195 -12.082
   63    HG3  LYS   9          1HG       LYS   9   5.250  -3.922 -12.392
   64    HD2  LYS   9          2HD       LYS   9   3.095  -3.458 -13.491
   65    HD3  LYS   9          1HD       LYS   9   3.342  -1.735 -13.217
   66    HE2  LYS   9          2HE       LYS   9   3.966  -2.289 -15.485
   67    HE3  LYS   9          1HE       LYS   9   5.398  -1.836 -14.566
   68    HZ1  LYS   9          1HZ       LYS   9   5.904  -4.204 -14.296
   69    HZ2  LYS   9          2HZ       LYS   9   5.847  -3.770 -15.905
   70    HZ3  LYS   9          3HZ       LYS   9   4.556  -4.615 -15.222
   71    H    SER  10           H        SER  10   4.083  -1.282  -8.392
   72    HA   SER  10           HA       SER  10   6.360   0.268  -9.216
   73    HB2  SER  10          2HB       SER  10   3.781   1.021  -7.867
   74    HB3  SER  10          1HB       SER  10   5.022   2.159  -8.388
   75    HG   SER  10           HG       SER  10   4.684   1.572 -10.476
   76    H    TRP  11           H        TRP  11   8.040  -0.135  -7.917
   77    HA   TRP  11           HA       TRP  11   7.719   0.609  -5.101
   78    HB2  TRP  11          2HB       TRP  11   9.383  -1.658  -6.187
   79    HB3  TRP  11          1HB       TRP  11   9.830  -0.849  -4.697
   80    HD1  TRP  11           HD       TRP  11   7.315  -0.737  -3.023
   81    HE1  TRP  11          1HE       TRP  11   6.062  -2.879  -2.262
   82    HE3  TRP  11          3HE       TRP  11   9.009  -3.979  -6.585
   83    HZ2  TRP  11          2HZ       TRP  11   5.874  -5.581  -3.057
   84    HZ3  TRP  11          3HZ       TRP  11   8.250  -6.318  -6.507
   85    HH2  TRP  11           HH       TRP  11   6.719  -7.090  -4.778
   86    H    ASN  12           H        ASN  12   8.412   2.667  -5.225
   87    HA   ASN  12           HA       ASN  12  11.175   2.980  -6.088
   88    HB2  ASN  12          2HB       ASN  12   8.870   4.749  -6.915
   89    HB3  ASN  12          1HB       ASN  12  10.545   5.279  -6.983
   90   HD21  ASN  12          1HD2      ASN  12  11.901   4.422  -8.557
   91   HD22  ASN  12          2HD2      ASN  12  11.304   3.494  -9.878
   92    H    GLY  13           H        GLY  13  12.146   3.326  -4.253
   93    HA2  GLY  13          2HA       GLY  13  12.805   5.209  -2.842
   94    HA3  GLY  13          1HA       GLY  13  11.089   5.504  -2.587
   95    H    LYS  14           H        LYS  14  11.832   5.445  -0.345
   96    HA   LYS  14           HA       LYS  14  12.327   2.771   0.687
   97    HB2  LYS  14          2HB       LYS  14  13.762   4.565   1.538
   98    HB3  LYS  14          1HB       LYS  14  12.356   5.478   2.054
   99    HG2  LYS  14          2HG       LYS  14  11.849   3.890   3.738
  100    HG3  LYS  14          1HG       LYS  14  13.058   2.767   3.139
  101    HD2  LYS  14          2HD       LYS  14  14.807   4.438   3.709
  102    HD3  LYS  14          1HD       LYS  14  13.546   5.473   4.389
  103    HE2  LYS  14          2HE       LYS  14  12.960   3.771   5.992
  104    HE3  LYS  14          1HE       LYS  14  14.132   2.659   5.289
  105    HZ1  LYS  14          1HZ       LYS  14  14.982   3.658   7.277
  106    HZ2  LYS  14          2HZ       LYS  14  14.753   5.209   6.690
  107    HZ3  LYS  14          3HZ       LYS  14  15.888   4.193   5.970
  108    H    CYS  15           H        CYS  15  10.967   1.878   2.383
  109    HA   CYS  15           HA       CYS  15   8.222   2.494   1.795
  110    HB2  CYS  15          2HB       CYS  15   9.035   0.158   1.804
  111    HB3  CYS  15          1HB       CYS  15   9.407   0.325   3.515
  112    H    PHE  16           H        PHE  16   7.246   3.993   2.921
  113    HA   PHE  16           HA       PHE  16   7.734   4.160   5.786
  114    HB2  PHE  16          2HB       PHE  16   6.927   6.292   3.798
  115    HB3  PHE  16          1HB       PHE  16   6.849   6.525   5.536
  116    HD1  PHE  16          1HD       PHE  16   8.903   6.710   6.842
  117    HD2  PHE  16          2HD       PHE  16   9.038   6.330   2.605
  118    HE1  PHE  16          1HE       PHE  16  11.228   7.521   6.837
  119    HE2  PHE  16          2HE       PHE  16  11.342   7.149   2.602
  120    HZ   PHE  16           HZ       PHE  16  12.447   7.741   4.717
  121    H    HIS  17           H        HIS  17   6.134   3.325   6.849
  122    HA   HIS  17           HA       HIS  17   3.899   2.140   5.780
  123    HB2  HIS  17          2HB       HIS  17   3.012   1.973   8.124
  124    HB3  HIS  17          1HB       HIS  17   4.667   1.426   7.924
  125    HD1  HIS  17          1HD       HIS  17   2.588   3.996   9.696
  126    HD2  HIS  17          2HD       HIS  17   6.599   3.002   9.229
  127    HE1  HIS  17          1HE       HIS  17   3.843   5.318  11.432
  128    H    LYS  18           H        LYS  18   3.838   5.277   7.450
  129    HA   LYS  18           HA       LYS  18   1.042   5.625   7.079
  130    HB2  LYS  18          2HB       LYS  18   2.173   6.753   8.907
  131    HB3  LYS  18          1HB       LYS  18   3.208   7.611   7.775
  132    HG2  LYS  18          2HG       LYS  18   1.259   8.783   6.884
  133    HG3  LYS  18          1HG       LYS  18   0.235   7.941   8.044
  134    HD2  LYS  18          2HD       LYS  18   1.396   8.978   9.883
  135    HD3  LYS  18          1HD       LYS  18   2.550   9.718   8.774
  136    HE2  LYS  18          2HE       LYS  18   0.772  11.018   7.756
  137    HE3  LYS  18          1HE       LYS  18  -0.416  10.248   8.806
  138    HZ1  LYS  18          1HZ       LYS  18   0.270  12.450   9.580
  139    HZ2  LYS  18          2HZ       LYS  18   1.856  11.889   9.765
  140    HZ3  LYS  18          3HZ       LYS  18   0.622  11.240  10.699
  141    H    LYS  19           H        LYS  19   3.886   6.635   5.322
  142    HA   LYS  19           HA       LYS  19   2.437   8.381   3.611
  143    HB2  LYS  19          2HB       LYS  19   5.183   7.202   3.173
  144    HB3  LYS  19          1HB       LYS  19   4.493   8.558   2.293
  145    HG2  LYS  19          2HG       LYS  19   4.300   9.760   4.505
  146    HG3  LYS  19          1HG       LYS  19   5.256   8.460   5.203
  147    HD2  LYS  19          2HD       LYS  19   6.722  10.294   4.696
  148    HD3  LYS  19          1HD       LYS  19   7.053   8.997   3.544
  149    HE2  LYS  19          2HE       LYS  19   5.775  10.122   1.834
  150    HE3  LYS  19          1HE       LYS  19   5.240  11.343   2.987
  151    HZ1  LYS  19          1HZ       LYS  19   7.580  12.040   3.197
  152    HZ2  LYS  19          2HZ       LYS  19   6.980  12.212   1.652
  153    HZ3  LYS  19          3HZ       LYS  19   8.008  10.936   1.987
  154    H    CYS  20           H        CYS  20   3.393   5.024   3.450
  155    HA   CYS  20           HA       CYS  20   2.432   4.544   0.862
  156    HB2  CYS  20          2HB       CYS  20   2.764   2.756   3.259
  157    HB3  CYS  20          1HB       CYS  20   2.090   2.157   1.749
  158    H    ASN  21           H        ASN  21   0.837   4.479   4.020
  159    HA   ASN  21           HA       ASN  21  -1.666   3.578   3.210
  160    HB2  ASN  21          2HB       ASN  21  -1.115   3.877   5.575
  161    HB3  ASN  21          1HB       ASN  21  -1.065   5.623   5.356
  162   HD21  ASN  21          1HD2      ASN  21  -2.995   6.778   5.301
  163   HD22  ASN  21          2HD2      ASN  21  -4.523   6.055   5.595
  164    H    HIS  22           H        HIS  22  -0.479   6.893   3.298
  165    HA   HIS  22           HA       HIS  22  -2.916   7.868   2.214
  166    HB2  HIS  22          2HB       HIS  22  -0.279   9.249   2.674
  167    HB3  HIS  22          1HB       HIS  22  -1.680  10.064   1.979
  168    HD1  HIS  22          1HD       HIS  22  -3.612  10.665   3.576
  169    HD2  HIS  22          2HD       HIS  22  -0.535   8.528   5.367
  170    HE1  HIS  22          1HE       HIS  22  -4.101  10.692   6.050
  171    H    TRP  23           H        TRP  23   0.135   6.924   0.802
  172    HA   TRP  23           HA       TRP  23  -0.348   7.963  -1.775
  173    HB2  TRP  23          2HB       TRP  23   1.875   7.108  -1.110
  174    HB3  TRP  23          1HB       TRP  23   1.216   5.482  -0.990
  175    HD1  TRP  23           HD       TRP  23   1.058   4.070  -3.220
  176    HE1  TRP  23          1HE       TRP  23   1.784   4.496  -5.661
  177    HE3  TRP  23          3HE       TRP  23   2.120   9.064  -2.900
  178    HZ2  TRP  23          2HZ       TRP  23   2.685   6.658  -7.228
  179    HZ3  TRP  23          3HZ       TRP  23   2.912  10.229  -4.914
  180    HH2  TRP  23           HH       TRP  23   3.189   9.044  -7.034
  181    H    CYS  24           H        CYS  24  -1.035   4.800  -0.347
  182    HA   CYS  24           HA       CYS  24  -2.272   3.693  -2.587
  183    HB2  CYS  24          2HB       CYS  24  -2.685   3.081   0.339
  184    HB3  CYS  24          1HB       CYS  24  -3.253   2.076  -0.992
  185    H    MET  25           H        MET  25  -3.636   5.485   0.146
  186    HA   MET  25           HA       MET  25  -6.346   5.248  -0.541
  187    HB2  MET  25          2HB       MET  25  -5.416   6.102   1.638
  188    HB3  MET  25          1HB       MET  25  -4.997   7.589   0.810
  189    HG2  MET  25          2HG       MET  25  -7.037   7.911   2.018
  190    HG3  MET  25          1HG       MET  25  -7.379   7.939   0.289
  191    HE1  MET  25          1HE       MET  25  -9.618   7.594   2.531
  192    HE2  MET  25          2HE       MET  25 -10.616   6.342   1.792
  193    HE3  MET  25          3HE       MET  25  -9.952   7.642   0.801
  194    H    GLU  26           H        GLU  26  -3.950   7.708  -1.315
  195    HA   GLU  26           HA       GLU  26  -5.664   9.463  -2.721
  196    HB2  GLU  26          2HB       GLU  26  -3.504  10.033  -1.610
  197    HB3  GLU  26          1HB       GLU  26  -2.670   9.184  -2.897
  198    HG2  GLU  26          2HG       GLU  26  -2.560  11.483  -3.399
  199    HG3  GLU  26          1HG       GLU  26  -3.740  10.779  -4.504
  200    H    LYS  27           H        LYS  27  -3.238   7.096  -3.810
  201    HA   LYS  27           HA       LYS  27  -3.790   7.792  -6.573
  202    HB2  LYS  27          2HB       LYS  27  -1.704   5.994  -5.381
  203    HB3  LYS  27          1HB       LYS  27  -1.822   6.432  -7.075
  204    HG2  LYS  27          2HG       LYS  27  -1.336   8.341  -4.801
  205    HG3  LYS  27          1HG       LYS  27  -0.111   7.712  -5.902
  206    HD2  LYS  27          2HD       LYS  27  -1.375   8.732  -7.780
  207    HD3  LYS  27          1HD       LYS  27  -2.461   9.463  -6.598
  208    HE2  LYS  27          2HE       LYS  27  -0.618  10.663  -5.593
  209    HE3  LYS  27          1HE       LYS  27   0.517   9.894  -6.698
  210    HZ1  LYS  27          1HZ       LYS  27  -0.688  10.965  -8.533
  211    HZ2  LYS  27          2HZ       LYS  27   0.014  12.069  -7.464
  212    HZ3  LYS  27          3HZ       LYS  27  -1.648  11.792  -7.409
  213    H    GLU  28           H        GLU  28  -4.105   4.935  -4.481
  214    HA   GLU  28           HA       GLU  28  -4.777   3.385  -6.881
  215    HB2  GLU  28          2HB       GLU  28  -3.972   2.480  -4.137
  216    HB3  GLU  28          1HB       GLU  28  -4.355   1.436  -5.497
  217    HG2  GLU  28          2HG       GLU  28  -2.091   3.409  -5.388
  218    HG3  GLU  28          1HG       GLU  28  -1.953   1.666  -5.161
  219    H    ASP  29           H        ASP  29  -6.226   4.776  -4.161
  220    HA   ASP  29           HA       ASP  29  -8.197   4.594  -3.073
  221    HB2  ASP  29          2HB       ASP  29  -9.267   4.845  -5.304
  222    HB3  ASP  29          1HB       ASP  29  -9.143   3.108  -5.559
  223    H    ALA  30           H        ALA  30  -7.307   3.380  -1.477
  224    HA   ALA  30           HA       ALA  30  -7.889   0.506  -1.589
  225    HB1  ALA  30          1HB       ALA  30  -5.487   0.870  -1.853
  226    HB2  ALA  30          2HB       ALA  30  -5.830   0.125  -0.292
  227    HB3  ALA  30          3HB       ALA  30  -5.459   1.845  -0.386
  228    H    LYS  31           H        LYS  31  -7.671  -0.350   0.775
  229    HA   LYS  31           HA       LYS  31  -9.462   1.241   2.402
  230    HB2  LYS  31          2HB       LYS  31  -8.179  -1.461   2.855
  231    HB3  LYS  31          1HB       LYS  31  -9.264  -0.687   3.999
  232    HG2  LYS  31          2HG       LYS  31 -11.036  -0.725   2.306
  233    HG3  LYS  31          1HG       LYS  31  -9.942  -1.564   1.206
  234    HD2  LYS  31          2HD       LYS  31  -9.818  -3.452   2.644
  235    HD3  LYS  31          1HD       LYS  31 -10.652  -2.605   3.942
  236    HE2  LYS  31          2HE       LYS  31 -11.816  -3.362   1.274
  237    HE3  LYS  31          1HE       LYS  31 -12.134  -4.188   2.799
  238    HZ1  LYS  31          1HZ       LYS  31 -13.933  -2.687   2.292
  239    HZ2  LYS  31          2HZ       LYS  31 -12.892  -1.391   2.104
  240    HZ3  LYS  31          3HZ       LYS  31 -13.111  -2.069   3.625
  241    H    TYR  32           H        TYR  32  -6.223  -0.101   2.584
  242    HA   TYR  32           HA       TYR  32  -5.271   2.174   3.967
  243    HB2  TYR  32          2HB       TYR  32  -4.390   0.929   5.925
  244    HB3  TYR  32          1HB       TYR  32  -6.147   0.951   5.908
  245    HD1  TYR  32          1HD       TYR  32  -7.386  -1.136   5.308
  246    HD2  TYR  32          2HD       TYR  32  -3.162  -1.117   5.820
  247    HE1  TYR  32          1HE       TYR  32  -7.397  -3.579   5.496
  248    HE2  TYR  32          2HE       TYR  32  -3.167  -3.541   6.005
  249    HH   TYR  32           HH       TYR  32  -4.767  -5.346   6.600
  250    H    GLY  33           H        GLY  33  -3.061   2.251   3.963
  251    HA2  GLY  33          2HA       GLY  33  -1.776   0.177   2.326
  252    HA3  GLY  33          1HA       GLY  33  -1.271   1.876   2.285
  253    H    SER  34           H        SER  34   0.308  -0.426   2.982
  254    HA   SER  34           HA       SER  34   1.123   0.416   5.611
  255    HB2  SER  34          2HB       SER  34   0.194  -2.405   5.036
  256    HB3  SER  34          1HB       SER  34   1.005  -1.890   6.515
  257    HG   SER  34           HG       SER  34  -1.009  -0.263   5.924
  258    H    CYS  35           H        CYS  35   3.059  -1.023   6.248
  259    HA   CYS  35           HA       CYS  35   4.704  -1.440   3.859
  260    HB2  CYS  35          2HB       CYS  35   5.322   0.415   5.532
  261    HB3  CYS  35          1HB       CYS  35   5.660  -0.888   6.668
  262    H    SER  36           H        SER  36   4.905  -3.492   3.445
  263    HA   SER  36           HA       SER  36   4.654  -5.362   5.667
  264    HB2  SER  36          2HB       SER  36   4.106  -5.809   2.729
  265    HB3  SER  36          1HB       SER  36   3.713  -6.884   4.075
  266    HG   SER  36           HG       SER  36   1.842  -5.779   3.683
  267    H    HIS  37           H        HIS  37   6.677  -5.828   6.273
  268    HA   HIS  37           HA       HIS  37   8.703  -6.785   6.321
  269    HB2  HIS  37          2HB       HIS  37   8.083  -7.707   3.504
  270    HB3  HIS  37          1HB       HIS  37   9.475  -8.233   4.438
  271    HD1  HIS  37          1HD       HIS  37   8.967  -9.861   6.478
  272    HD2  HIS  37          2HD       HIS  37   5.699  -8.938   4.075
  273    HE1  HIS  37          1HE       HIS  37   7.198 -11.554   7.028
  274    H    GLY  38           H        GLY  38   8.141  -4.098   5.123
  275    HA2  GLY  38          2HA       GLY  38   9.737  -2.408   4.774
  276    HA3  GLY  38          1HA       GLY  38  10.883  -3.621   4.199
  277    H    ASP  39           H        ASP  39   7.912  -4.211   2.860
  278    HA   ASP  39           HA       ASP  39   8.576  -2.608   0.508
  279    HB2  ASP  39          2HB       ASP  39   7.195  -5.278   0.696
  280    HB3  ASP  39          1HB       ASP  39   7.290  -4.332  -0.788
  281    H    CYS  40           H        CYS  40   7.053  -1.385  -0.333
  282    HA   CYS  40           HA       CYS  40   4.923  -0.631   1.410
  283    HB2  CYS  40          2HB       CYS  40   6.290   0.946   0.032
  284    HB3  CYS  40          1HB       CYS  40   5.542   0.273  -1.406
  285    H    TYR  41           H        TYR  41   2.811  -1.283   1.324
  286    HA   TYR  41           HA       TYR  41   1.829  -2.559  -1.099
  287    HB2  TYR  41          2HB       TYR  41   2.037  -3.837   1.586
  288    HB3  TYR  41          1HB       TYR  41   0.637  -4.198   0.589
  289    HD1  TYR  41          1HD       TYR  41   4.288  -4.548   0.888
  290    HD2  TYR  41          2HD       TYR  41   0.838  -5.494  -1.408
  291    HE1  TYR  41          1HE       TYR  41   5.570  -6.246  -0.365
  292    HE2  TYR  41          2HE       TYR  41   2.081  -7.158  -2.640
  293    HH   TYR  41           HH       TYR  41   5.100  -8.322  -1.706
  294    H    CYS  42           H        CYS  42  -0.268  -2.339  -1.483
  295    HA   CYS  42           HA       CYS  42  -1.841  -0.621   0.317
  296    HB2  CYS  42          2HB       CYS  42  -2.300  -1.276  -2.608
  297    HB3  CYS  42          1HB       CYS  42  -3.164  -0.085  -1.652
  298    H    TYR  43           H        TYR  43  -3.789  -1.499   1.130
  299    HA   TYR  43           HA       TYR  43  -4.346  -4.214   0.224
  300    HB2  TYR  43          2HB       TYR  43  -4.635  -3.009   2.971
  301    HB3  TYR  43          1HB       TYR  43  -5.365  -4.548   2.518
  302    HD1  TYR  43          1HD       TYR  43  -4.072  -6.518   2.372
  303    HD2  TYR  43          2HD       TYR  43  -2.136  -2.784   2.958
  304    HE1  TYR  43          1HE       TYR  43  -1.972  -7.692   2.824
  305    HE2  TYR  43          2HE       TYR  43  -0.033  -3.921   3.409
  306    HH   TYR  43           HH       TYR  43   0.389  -7.257   2.728
  307    H    TYR  44           H        TYR  44  -6.268  -4.784  -0.366
  308    HA   TYR  44           HA       TYR  44  -8.359  -2.703  -0.477
  309    HB2  TYR  44          2HB       TYR  44  -7.787  -4.832  -2.543
  310    HB3  TYR  44          1HB       TYR  44  -8.963  -3.538  -2.668
  311    HD1  TYR  44          1HD       TYR  44  -8.159  -1.200  -2.967
  312    HD2  TYR  44          2HD       TYR  44  -5.553  -4.538  -3.108
  313    HE1  TYR  44          1HE       TYR  44  -6.486   0.168  -4.084
  314    HE2  TYR  44          2HE       TYR  44  -3.877  -3.204  -4.219
  315    HH   TYR  44           HH       TYR  44  -3.999   0.147  -4.369
  316    H    HIS  45           H        HIS  45 -10.371  -4.023  -1.387
  317    HA   HIS  45           HA       HIS  45 -10.987  -6.107   0.494
  318    HB2  HIS  45          2HB       HIS  45 -13.241  -6.086  -0.522
  319    HB3  HIS  45          1HB       HIS  45 -12.752  -4.463  -0.094
  320    HD1  HIS  45          1HD       HIS  45 -12.913  -2.729  -1.966
  321    HD2  HIS  45          2HD       HIS  45 -13.104  -6.639  -3.347
  322    HE1  HIS  45          1HE       HIS  45 -13.551  -2.574  -4.397
  323    H    CYS  46           H        CYS  46 -11.272  -8.231  -0.001
  324    HA   CYS  46           HA       CYS  46 -10.080  -9.256  -2.400
  325    HB2  CYS  46          2HB       CYS  46 -11.478 -10.695  -0.142
  326    HB3  CYS  46          1HB       CYS  46 -10.352 -11.379  -1.319