*HEADER    ANTIFUNGAL PROTEIN                      03-AUG-20   7JN6              
*TITLE     NMR SOLUTION STRUCTURE OF PLANT DEFENSIN ATD90                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DEFENSIN-LIKE PROTEIN 204;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
*SOURCE   3 ORGANISM_COMMON: MOUSE-EAR CRESS;                                    
*SOURCE   4 ORGANISM_TAXID: 3702;                                                
*SOURCE   5 GENE: AT3G05727, F18C1;                                              
*SOURCE   6 EXPRESSION_SYSTEM: KOMAGATAELLA PASTORIS;                            
*SOURCE   7 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 7JN6    0                                                
# Restraints file 1: ATD90restraintspdb.tbl
!distance restraints
assign (resid   2 and name   HA)   (resid   2 and name  HD2)   3.290    1.490    1.490  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.540    0.740    0.740  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.845    1.045    1.045  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.845    1.045    1.045  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.575    0.775    0.775  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.925    1.125    1.125  
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.925    1.125    1.125  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   2.610    0.810    0.810  
assign (resid   5 and name   HA)   (resid   5 and name  HD2)   3.055    1.255    1.255  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.710    0.910    0.910  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.710    0.910    0.910  
assign (resid   9 and name   HN)   (resid   9 and name  HG2)   3.295    1.495    1.495  
assign (resid   9 and name   HN)   (resid   9 and name  HG1)   3.295    1.495    1.495  
assign (resid   8 and name  HA2)   (resid   9 and name   HN)   2.620    0.820    0.820  
assign (resid   8 and name  HA1)   (resid   9 and name   HN)   2.620    0.820    0.820  
assign (resid  10 and name   HA)   (resid  11 and name  HD2)   2.660    0.860    0.860  
assign (resid  10 and name   HA)   (resid  11 and name  HD1)   2.660    0.860    0.860  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.580    0.780    0.780  
assign (resid  10 and name   HN)   (resid  46 and name   HA)   3.640    1.840    1.840  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.470    0.670    0.670  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.385    0.585    0.585  
assign (resid  12 and name   HA)   (resid  12 and name HG1#)   2.685    0.885    0.885  
assign (resid  12 and name   HA)   (resid  12 and name HG2#)   2.685    0.885    0.885  
assign (resid  10 and name  HB#)   (resid  12 and name   HN)   3.650    1.850    1.850  
assign (resid  12 and name   HN)   (resid  12 and name   HB)   2.750    0.950    0.950  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   3.175    1.375    1.375  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.315    0.515    0.515  
assign (resid  50 and name   HA)   (resid  51 and name   HN)   2.530    0.730    0.730  
assign (resid  13 and name   HA)   (resid  14 and name   HA)   2.540    0.740    0.740  
assign (resid  13 and name   HN)   (resid  13 and name  HD#)   3.185    1.385    1.385  
assign (resid  13 and name   HA)   (resid  13 and name  HD#)   2.670    0.870    0.870  
assign (resid  13 and name   HA)   (resid  13 and name  HE#)   3.405    1.605    1.605  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   2.805    1.005    1.005  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.460    0.660    0.660  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   2.940    1.140    1.140  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.630    0.830    0.830  
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   2.630    0.830    0.830  
assign (resid  13 and name   HA)   (resid  15 and name   HN)   2.840    1.040    1.040  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   3.240    1.440    1.440  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.325    0.525    0.525  
assign (resid  16 and name   HA)   (resid  16 and name  HD2)   3.090    1.290    1.290  
assign (resid  16 and name   HA)   (resid  16 and name  HD1)   3.090    1.290    1.290  
assign (resid  16 and name   HA)   (resid  19 and name  HB#)   3.340    1.540    1.540  
assign (resid  19 and name  HB#)   (resid  20 and name   HA)   3.435    1.635    1.635  
assign (resid  16 and name   HA)   (resid  16 and name  HG2)   2.980    1.180    1.180  
assign (resid  16 and name   HA)   (resid  16 and name  HG1)   2.980    1.180    1.180  
assign (resid  16 and name   HN)   (resid  19 and name  HB#)   2.815    1.015    1.015  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   3.365    1.565    1.565  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.390    0.590    0.590  
assign (resid  31 and name   HN)   (resid  31 and name  HB#)   2.410    0.610    0.610  
assign (resid  25 and name   HA)   (resid  31 and name   HN)   3.430    1.630    1.630  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   2.670    0.870    0.870  
assign (resid  30 and name  HB1)   (resid  31 and name   HN)   3.385    1.585    1.585  
assign (resid  30 and name  HB2)   (resid  31 and name   HN)   3.385    1.585    1.585  
assign (resid  30 and name   HN)   (resid  30 and name  HD2)   3.280    1.480    1.480  
assign (resid  30 and name   HN)   (resid  30 and name  HB1)   2.940    1.140    1.140  
assign (resid  30 and name   HN)   (resid  30 and name  HB2)   2.940    1.140    1.140  
assign (resid  19 and name   HN)   (resid  19 and name  HB#)   2.410    0.610    0.610  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.680    0.880    0.880  
assign (resid  18 and name   HN)   (resid  20 and name   HN)   3.230    1.430    1.430  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.885    1.085    1.085  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.555    0.755    0.755  
assign (resid   7 and name   HN)   (resid   7 and name HD2#)   3.005    1.205    1.205  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.835    1.035    1.035  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.835    1.035    1.035  
assign (resid   7 and name   HA)   (resid   7 and name HD2#)   2.440    0.640    0.640  
assign (resid   7 and name   HN)   (resid   7 and name   HG)   2.715    0.915    0.915  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   3.420    1.620    1.620  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.535    0.735    0.735  
assign (resid   7 and name   HN)   (resid  48 and name   HA)   2.830    1.030    1.030  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.625    0.825    0.825  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   3.305    1.505    1.505  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   3.305    1.505    1.505  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.425    0.625    0.625  
assign (resid   6 and name   HN)   (resid   6 and name  HB2)   2.800    1.000    1.000  
assign (resid   5 and name  HD2)   (resid   6 and name   HN)   3.295    1.495    1.495  
assign (resid   6 and name   HN)   (resid   6 and name  HD#)   2.960    1.160    1.160  
assign (resid  35 and name   HN)   (resid  48 and name  HD#)   3.150    1.350    1.350  
assign (resid  23 and name   HN)   (resid  23 and name HG1#)   3.010    1.210    1.210  
assign (resid  23 and name HG1#)   (resid  24 and name   HN)   3.140    1.340    1.340  
assign (resid  23 and name   HN)   (resid  23 and name HG2#)   3.010    1.210    1.210  
assign (resid  23 and name HG2#)   (resid  24 and name   HN)   3.140    1.340    1.340  
assign (resid  23 and name   HN)   (resid  23 and name   HB)   2.445    0.645    0.645  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   2.665    0.865    0.865  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.515    0.715    0.715  
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.555    0.755    0.755  
assign (resid  27 and name   HA)   (resid  27 and name  HD2)   3.215    1.415    1.415  
assign (resid  23 and name   HA)   (resid  27 and name  HD2)   3.175    1.375    1.375  
assign (resid  23 and name   HB)   (resid  27 and name  HD2)   3.295    1.495    1.495  
assign (resid  10 and name  HB#)   (resid  27 and name  HD2)   3.075    1.275    1.275  
assign (resid  23 and name HG1#)   (resid  27 and name  HD2)   3.355    1.555    1.555  
assign (resid  23 and name HG2#)   (resid  27 and name  HD2)   3.355    1.555    1.555  
assign (resid  21 and name   HA)   (resid  34 and name  HA2)   3.410    1.610    1.610  
assign (resid  33 and name   HA)   (resid  34 and name   HN)   2.400    0.600    0.600  
assign (resid  21 and name   HA)   (resid  34 and name   HN)   3.035    1.235    1.235  
assign (resid  21 and name  HB2)   (resid  34 and name   HN)   2.980    1.180    1.180  
assign (resid  33 and name  HB2)   (resid  34 and name   HN)   3.215    1.415    1.415  
assign (resid  21 and name  HB1)   (resid  34 and name   HN)   3.650    1.850    1.850  
assign (resid  33 and name  HB1)   (resid  34 and name   HN)   3.215    1.415    1.415  
assign (resid  31 and name  HB#)   (resid  33 and name   HN)   2.735    0.935    0.935  
assign (resid  32 and name  HB1)   (resid  33 and name   HN)   3.225    1.425    1.425  
assign (resid  32 and name  HB2)   (resid  33 and name   HN)   3.225    1.425    1.425  
assign (resid  32 and name   HN)   (resid  33 and name   HN)   2.395    0.595    0.595  
assign (resid  32 and name   HN)   (resid  49 and name  HA2)   2.875    1.075    1.075  
assign (resid  31 and name   HA)   (resid  32 and name   HN)   2.435    0.635    0.635  
assign (resid  31 and name  HB#)   (resid  32 and name   HN)   2.710    0.910    0.910  
assign (resid  35 and name   HN)   (resid  35 and name  HB2)   2.930    1.130    1.130  
assign (resid  35 and name   HN)   (resid  35 and name  HB1)   2.930    1.130    1.130  
assign (resid  34 and name  HA1)   (resid  35 and name   HN)   2.660    0.860    0.860  
assign (resid  34 and name  HA2)   (resid  35 and name   HN)   2.505    0.705    0.705  
assign (resid  34 and name   HN)   (resid  35 and name   HN)   3.250    1.450    1.450  
assign (resid  45 and name   HA)   (resid  46 and name   HN)   2.370    0.570    0.570  
assign (resid  35 and name   HN)   (resid  46 and name   HN)   2.950    1.150    1.150  
assign (resid  46 and name   HN)   (resid  47 and name   HN)   3.290    1.490    1.490  
assign (resid  39 and name   HA)   (resid  40 and name   HN)   2.505    0.705    0.705  
assign (resid  41 and name   HN)   (resid  42 and name   HN)   2.455    0.655    0.655  
assign (resid  42 and name  HG2)   (resid  43 and name   HN)   3.650    1.850    1.850  
assign (resid  42 and name  HG1)   (resid  43 and name   HN)   3.650    1.850    1.850  
assign (resid  42 and name   HA)   (resid  43 and name   HN)   2.330    0.530    0.530  
assign (resid  43 and name   HA)   (resid  44 and name   HN)   2.380    0.580    0.580  
assign (resid  44 and name   HA)   (resid  45 and name   HN)   2.495    0.695    0.695  
assign (resid  48 and name   HA)   (resid  49 and name   HN)   2.455    0.655    0.655  
assign (resid   6 and name  HD#)   (resid  48 and name   HA)   3.435    1.635    1.635  
assign (resid  48 and name   HA)   (resid  48 and name  HD#)   2.820    1.020    1.020  
assign (resid  32 and name   HN)   (resid  50 and name   HN)   3.650    1.850    1.850  
assign (resid  49 and name   HN)   (resid  50 and name   HN)   3.195    1.395    1.395  
assign (resid   7 and name HD1#)   (resid  50 and name   HN)   3.130    1.330    1.330  
assign (resid   7 and name HD2#)   (resid  50 and name   HN)   3.415    1.615    1.615  
assign (resid  10 and name  HB#)   (resid  27 and name  HE1)   3.440    1.640    1.640  
assign (resid  50 and name   HN)   (resid  50 and name  HB2)   2.810    1.010    1.010  
assign (resid  50 and name   HN)   (resid  50 and name  HB1)   2.810    1.010    1.010  
assign (resid  11 and name  HG1)   (resid  27 and name  HE1)   3.355    1.555    1.555  
assign (resid  11 and name  HG2)   (resid  27 and name  HE1)   3.355    1.555    1.555  
assign (resid  11 and name  HD1)   (resid  27 and name  HE1)   3.360    1.560    1.560  
assign (resid  11 and name  HD2)   (resid  27 and name  HE1)   3.360    1.560    1.560  
assign (resid  49 and name  HA1)   (resid  50 and name   HN)   2.605    0.805    0.805  
assign (resid  31 and name   HA)   (resid  50 and name   HN)   3.305    1.505    1.505  
assign (resid  49 and name  HA2)   (resid  50 and name   HN)   2.605    0.805    0.805  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.865    1.065    1.065  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.865    1.065    1.065  
assign (resid  51 and name   HN)   (resid  51 and name  HD#)   3.155    1.355    1.355  
assign (resid  51 and name  HD#)   (resid  52 and name   HN)   3.265    1.465    1.465  
assign (resid  51 and name   HA)   (resid  51 and name  HD#)   2.825    1.025    1.025  
assign (resid  51 and name  HB2)   (resid  52 and name   HN)   3.105    1.305    1.305  
assign (resid  51 and name  HB1)   (resid  52 and name   HN)   3.105    1.305    1.305  
assign (resid  51 and name   HA)   (resid  52 and name   HN)   2.580    0.780    0.780  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   3.095    1.295    1.295  
assign (resid  29 and name   HN)   (resid  30 and name   HN)   2.980    1.180    1.180  
assign (resid  28 and name   HA)   (resid  29 and name   HN)   2.360    0.560    0.560  
assign (resid  28 and name  HB2)   (resid  29 and name   HN)   3.115    1.315    1.315  
assign (resid  28 and name  HB1)   (resid  29 and name   HN)   3.115    1.315    1.315  
assign (resid  28 and name   HN)   (resid  28 and name  HD#)   2.780    0.980    0.980  
assign (resid  28 and name  HD#)   (resid  29 and name   HN)   3.650    1.850    1.850  
assign (resid  29 and name   HN)   (resid  29 and name  HD2)   3.650    1.850    1.850  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   2.545    0.745    0.745  
assign (resid  27 and name   HN)   (resid  27 and name  HD2)   3.015    1.215    1.215  
assign (resid  27 and name   HN)   (resid  28 and name  HD#)   3.295    1.495    1.495  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.610    0.810    0.810  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.690    0.890    0.890  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.665    0.865    0.865  
assign (resid  47 and name   HA)   (resid  48 and name   HN)   2.445    0.645    0.645  
assign (resid  48 and name   HN)   (resid  48 and name  HD#)   2.755    0.955    0.955  
assign (resid  48 and name  HD#)   (resid  49 and name   HN)   3.125    1.325    1.325  
assign (resid   1 and name  HB#)   (resid   2 and name   HN)   2.930    1.130    1.130  
assign (resid   3 and name   HA)   (resid   5 and name   HN)   3.130    1.330    1.330  
assign (resid   5 and name   HN)   (resid  48 and name  HD#)   3.215    1.415    1.415  
assign (resid   5 and name   HN)   (resid  49 and name   HN)   3.095    1.295    1.295  
assign (resid   6 and name   HN)   (resid   6 and name  HB1)   2.800    1.000    1.000  
assign (resid   6 and name   HA)   (resid   6 and name  HD#)   2.960    1.160    1.160  
assign (resid   7 and name  HB2)   (resid  47 and name  HB2)   3.120    1.320    1.320  
assign (resid   7 and name  HB1)   (resid  47 and name  HB2)   3.120    1.320    1.320  
assign (resid  15 and name  HB1)   (resid  43 and name HG2#)   3.015    1.215    1.215  
assign (resid  15 and name  HB2)   (resid  43 and name HG2#)   3.015    1.215    1.215  
assign (resid  43 and name   HA)   (resid  43 and name HG2#)   2.770    0.970    0.970  
assign (resid   7 and name   HN)   (resid  49 and name   HN)   3.320    1.520    1.520  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   3.295    1.495    1.495  
assign (resid   8 and name  HA1)   (resid  28 and name  HE#)   3.100    1.300    1.300  
assign (resid   8 and name  HA2)   (resid  28 and name  HE#)   3.100    1.300    1.300  
assign (resid  12 and name   HA)   (resid  13 and name  HB2)   3.650    1.850    1.850  
assign (resid  12 and name   HA)   (resid  13 and name  HB1)   3.650    1.850    1.850  
assign (resid  20 and name   HN)   (resid  20 and name  HB1)   2.730    0.930    0.930  
assign (resid  20 and name   HN)   (resid  20 and name  HB2)   2.730    0.930    0.930  
assign (resid   9 and name   HA)   (resid  10 and name  HB#)   3.245    1.445    1.445  
assign (resid   9 and name  HG2)   (resid  10 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name  HG1)   (resid  10 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   3.430    1.630    1.630  
assign (resid  10 and name  HB#)   (resid  11 and name  HD2)   2.700    0.900    0.900  
assign (resid  10 and name  HB#)   (resid  11 and name  HD1)   2.700    0.900    0.900  
assign (resid  51 and name   HN)   (resid  52 and name   HN)   3.075    1.275    1.275  
assign (resid  17 and name   HA)   (resid  17 and name  HG2)   2.955    1.155    1.155  
assign (resid  17 and name   HA)   (resid  17 and name  HG1)   2.955    1.155    1.155  
assign (resid  17 and name   HN)   (resid  17 and name  HB2)   2.720    0.920    0.920  
assign (resid  17 and name   HN)   (resid  17 and name  HB1)   2.720    0.920    0.920  
assign (resid  16 and name  HB2)   (resid  17 and name   HN)   3.010    1.210    1.210  
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   3.010    1.210    1.210  
assign (resid  17 and name   HN)   (resid  17 and name  HG2)   3.175    1.375    1.375  
assign (resid  17 and name   HN)   (resid  17 and name  HG1)   3.175    1.375    1.375  
assign (resid  15 and name   HA)   (resid  19 and name  HB#)   2.885    1.085    1.085  
assign (resid  18 and name   HA)   (resid  21 and name  HB2)   2.985    1.185    1.185  
assign (resid  18 and name   HA)   (resid  21 and name  HB1)   2.855    1.055    1.055  
assign (resid  18 and name   HA)   (resid  18 and name  HD2)   3.595    1.795    1.795  
assign (resid  18 and name   HA)   (resid  18 and name  HD1)   3.595    1.795    1.795  
assign (resid  17 and name  HB2)   (resid  18 and name   HN)   2.995    1.195    1.195  
assign (resid  17 and name  HB1)   (resid  18 and name   HN)   2.995    1.195    1.195  
assign (resid  16 and name  HB2)   (resid  18 and name   HN)   3.445    1.645    1.645  
assign (resid  16 and name  HB1)   (resid  18 and name   HN)   3.445    1.645    1.645  
assign (resid  18 and name   HN)   (resid  18 and name  HB2)   2.745    0.945    0.945  
assign (resid  18 and name   HN)   (resid  18 and name  HB1)   2.745    0.945    0.945  
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  18 and name   HN)   (resid  19 and name  HB#)   3.110    1.310    1.310  
assign (resid  17 and name  HG2)   (resid  18 and name   HN)   3.310    1.510    1.510  
assign (resid  17 and name  HG1)   (resid  18 and name   HN)   3.310    1.510    1.510  
assign (resid  38 and name  HD#)   (resid  43 and name HG1#)   3.285    1.485    1.485  
assign (resid  38 and name  HD#)   (resid  43 and name HG2#)   3.285    1.485    1.485  
assign (resid  18 and name  HB2)   (resid  19 and name   HN)   2.970    1.170    1.170  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)   2.970    1.170    1.170  
assign (resid  16 and name   HA)   (resid  19 and name   HN)   3.405    1.605    1.605  
assign (resid  19 and name  HB#)   (resid  20 and name   HN)   2.590    0.790    0.790  
assign (resid  17 and name   HA)   (resid  20 and name   HN)   3.085    1.285    1.285  
assign (resid  21 and name  HB2)   (resid  21 and name  HE2)   3.495    1.695    1.695  
assign (resid  21 and name  HB2)   (resid  21 and name  HE1)   3.495    1.695    1.695  
assign (resid  21 and name   HN)   (resid  34 and name  HA1)   3.250    1.450    1.450  
assign (resid  19 and name  HB#)   (resid  22 and name   HN)   3.205    1.405    1.405  
assign (resid  21 and name  HB1)   (resid  22 and name   HN)   2.625    0.825    0.825  
assign (resid  19 and name   HA)   (resid  22 and name   HN)   2.860    1.060    1.060  
assign (resid  12 and name HG1#)   (resid  19 and name  HB#)   2.990    1.190    1.190  
assign (resid  12 and name HG2#)   (resid  19 and name  HB#)   2.990    1.190    1.190  
assign (resid  12 and name HG1#)   (resid  45 and name  HB2)   3.650    1.850    1.850  
assign (resid  12 and name HG2#)   (resid  45 and name  HB2)   3.650    1.850    1.850  
assign (resid  23 and name   HA)   (resid  23 and name HG1#)   2.570    0.770    0.770  
assign (resid  23 and name   HA)   (resid  23 and name HG2#)   2.570    0.770    0.770  
assign (resid  24 and name   HN)   (resid  24 and name  HB1)   2.710    0.910    0.910  
assign (resid  19 and name   HA)   (resid  23 and name   HN)   3.165    1.365    1.365  
assign (resid  23 and name HG1#)   (resid  26 and name   HN)   3.475    1.675    1.675  
assign (resid  23 and name HG2#)   (resid  26 and name   HN)   3.475    1.675    1.675  
assign (resid  23 and name   HA)   (resid  26 and name   HN)   2.760    0.960    0.960  
assign (resid  23 and name   HA)   (resid  25 and name   HN)   3.375    1.575    1.575  
assign (resid  38 and name   HA)   (resid  39 and name   HN)   2.595    0.795    0.795  
assign (resid  38 and name  HD#)   (resid  39 and name   HN)   3.130    1.330    1.330  
assign (resid  24 and name   HN)   (resid  26 and name   HN)   3.225    1.425    1.425  
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   HA)   (resid  31 and name  HB#)   2.675    0.875    0.875  
assign (resid  25 and name   HN)   (resid  25 and name  HG2)   3.100    1.300    1.300  
assign (resid  25 and name   HN)   (resid  25 and name  HG1)   3.100    1.300    1.300  
assign (resid  25 and name   HN)   (resid  31 and name  HB#)   3.330    1.530    1.530  
assign (resid  25 and name   HN)   (resid  25 and name  HB2)   2.780    0.980    0.980  
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   2.945    1.145    1.145  
assign (resid  25 and name   HN)   (resid  25 and name  HB1)   2.780    0.980    0.980  
assign (resid  25 and name  HB1)   (resid  26 and name   HN)   2.945    1.145    1.145  
assign (resid  21 and name   HA)   (resid  25 and name   HN)   3.410    1.610    1.610  
assign (resid  22 and name   HA)   (resid  25 and name   HN)   2.975    1.175    1.175  
assign (resid  26 and name   HN)   (resid  28 and name   HN)   3.185    1.385    1.385  
assign (resid  26 and name   HN)   (resid  27 and name  HD2)   3.480    1.680    1.680  
assign (resid  27 and name   HN)   (resid  27 and name  HB2)   2.795    0.995    0.995  
assign (resid  27 and name   HN)   (resid  27 and name  HB1)   2.795    0.995    0.995  
assign (resid  23 and name   HA)   (resid  27 and name   HN)   3.340    1.540    1.540  
assign (resid  24 and name   HA)   (resid  27 and name   HN)   3.195    1.395    1.395  
assign (resid  25 and name   HA)   (resid  27 and name   HN)   3.390    1.590    1.590  
assign (resid  21 and name   HA)   (resid  33 and name   HA)   3.225    1.425    1.425  
assign (resid  28 and name   HN)   (resid  31 and name  HB#)   3.070    1.270    1.270  
assign (resid  25 and name   HA)   (resid  28 and name   HN)   3.010    1.210    1.210  
assign (resid  30 and name   HN)   (resid  31 and name  HB#)   3.175    1.375    1.375  
assign (resid  28 and name  HB2)   (resid  31 and name   HN)   3.120    1.320    1.320  
assign (resid  28 and name  HB1)   (resid  31 and name   HN)   3.120    1.320    1.320  
assign (resid   7 and name HD1#)   (resid  32 and name   HN)   3.050    1.250    1.250  
assign (resid  32 and name   HN)   (resid  49 and name  HA1)   2.875    1.075    1.075  
assign (resid  33 and name   HN)   (resid  49 and name  HA1)   3.475    1.675    1.675  
assign (resid  31 and name   HA)   (resid  33 and name   HN)   3.050    1.250    1.250  
assign (resid  33 and name   HN)   (resid  49 and name  HA2)   3.475    1.675    1.675  
assign (resid  33 and name   HN)   (resid  48 and name   HN)   2.890    1.090    1.090  
assign (resid  41 and name   HN)   (resid  41 and name  HB1)   2.830    1.030    1.030  
assign (resid  41 and name   HN)   (resid  41 and name  HG2)   3.615    1.815    1.815  
assign (resid  41 and name   HN)   (resid  41 and name  HG1)   3.615    1.815    1.815  
assign (resid  41 and name   HN)   (resid  41 and name  HB2)   2.830    1.030    1.030  
assign (resid  29 and name  HB2)   (resid  30 and name  HD2)   3.650    1.850    1.850  
assign (resid  29 and name  HB1)   (resid  30 and name  HD2)   3.650    1.850    1.850  
assign (resid  39 and name   HN)   (resid  40 and name   HN)   2.980    1.180    1.180  
assign (resid  37 and name   HN)   (resid  43 and name HG2#)   3.345    1.545    1.545  
assign (resid  24 and name   HN)   (resid  24 and name  HB2)   2.710    0.910    0.910  
assign (resid  41 and name  HG2)   (resid  42 and name   HN)   3.650    1.850    1.850  
assign (resid  41 and name  HG1)   (resid  42 and name   HN)   3.650    1.850    1.850  
assign (resid  42 and name   HN)   (resid  42 and name  HG2)   3.310    1.510    1.510  
assign (resid  42 and name   HN)   (resid  42 and name  HG1)   3.310    1.510    1.510  
assign (resid  42 and name   HN)   (resid  43 and name   HN)   3.390    1.590    1.590  
assign (resid  15 and name  HB2)   (resid  43 and name HG1#)   3.015    1.215    1.215  
assign (resid  15 and name  HB1)   (resid  43 and name HG1#)   3.015    1.215    1.215  
assign (resid  43 and name   HA)   (resid  43 and name HG1#)   2.770    0.970    0.970  
assign (resid  43 and name HG1#)   (resid  44 and name   HN)   2.925    1.125    1.125  
assign (resid  43 and name   HN)   (resid  43 and name HG1#)   2.875    1.075    1.075  
assign (resid  43 and name HG2#)   (resid  44 and name   HN)   2.925    1.125    1.125  
assign (resid  43 and name   HN)   (resid  43 and name HG2#)   2.875    1.075    1.075  
assign (resid  43 and name   HB)   (resid  44 and name   HN)   3.170    1.370    1.370  
assign (resid  43 and name   HN)   (resid  43 and name   HB)   2.760    0.960    0.960  
assign (resid  44 and name   HN)   (resid  44 and name  HD2)   3.285    1.485    1.485  
assign (resid  44 and name  HB1)   (resid  45 and name   HN)   3.015    1.215    1.215  
assign (resid  44 and name  HB2)   (resid  45 and name   HN)   3.015    1.215    1.215  
assign (resid  45 and name   HN)   (resid  45 and name  HB1)   2.900    1.100    1.100  
assign (resid  45 and name   HN)   (resid  45 and name  HB2)   2.900    1.100    1.100  
assign (resid  12 and name   HN)   (resid  45 and name   HN)   3.650    1.850    1.850  
assign (resid  44 and name  HD2)   (resid  45 and name   HN)   3.650    1.850    1.850  
assign (resid  45 and name  HB1)   (resid  46 and name   HN)   3.255    1.455    1.455  
assign (resid  46 and name   HN)   (resid  46 and name  HB1)   2.930    1.130    1.130  
assign (resid  46 and name   HN)   (resid  46 and name  HB2)   2.930    1.130    1.130  
assign (resid  45 and name  HB2)   (resid  46 and name   HN)   3.255    1.455    1.455  
assign (resid  46 and name   HN)   (resid  46 and name  HD2)   3.225    1.425    1.425  
assign (resid   6 and name  HD#)   (resid  46 and name   HN)   3.650    1.850    1.850  
assign (resid  37 and name   HN)   (resid  46 and name   HN)   3.545    1.745    1.745  
assign (resid   7 and name   HG)   (resid  49 and name   HN)   2.755    0.955    0.955  
assign (resid   7 and name HD2#)   (resid  49 and name   HN)   2.980    1.180    1.180  
assign (resid   7 and name HD1#)   (resid  49 and name   HN)   2.940    1.140    1.140  
assign (resid  50 and name   HN)   (resid  51 and name   HN)   3.395    1.595    1.595  
assign (resid  31 and name  HB#)   (resid  47 and name   HA)   3.300    1.500    1.500  
assign (resid  47 and name   HN)   (resid  47 and name  HB2)   2.685    0.885    0.885  
assign (resid  47 and name   HN)   (resid  47 and name  HB1)   2.920    1.120    1.120  
assign (resid  46 and name  HB1)   (resid  47 and name   HN)   3.335    1.535    1.535  
assign (resid  46 and name  HB2)   (resid  47 and name   HN)   3.335    1.535    1.535  
assign (resid   9 and name   HA)   (resid  47 and name   HN)   2.885    1.085    1.085  
assign (resid  46 and name   HA)   (resid  47 and name   HN)   2.435    0.635    0.635  
assign (resid  46 and name  HD2)   (resid  47 and name   HN)   3.175    1.375    1.375  
assign (resid   7 and name   HG)   (resid  48 and name   HA)   2.950    1.150    1.150  
assign (resid   7 and name HD1#)   (resid  48 and name   HN)   3.270    1.470    1.470  
assign (resid  31 and name  HB#)   (resid  48 and name   HN)   2.960    1.160    1.160  
assign (resid  47 and name  HB2)   (resid  48 and name   HN)   3.155    1.355    1.355  
assign (resid  48 and name   HN)   (resid  48 and name  HB2)   2.935    1.135    1.135  
assign (resid  48 and name   HN)   (resid  48 and name  HB1)   2.935    1.135    1.135  
assign (resid  47 and name  HB1)   (resid  48 and name   HN)   2.940    1.140    1.140  
assign (resid  34 and name  HA1)   (resid  48 and name   HN)   3.340    1.540    1.540  
assign (resid  32 and name   HN)   (resid  48 and name   HN)   3.400    1.600    1.600  
assign (resid  48 and name   HN)   (resid  49 and name   HN)   3.405    1.605    1.605  
assign (resid  31 and name   HA)   (resid  49 and name   HN)   3.360    1.560    1.560  
assign (resid  36 and name   HN)   (resid  36 and name  HB1)   2.850    1.050    1.050  
assign (resid  35 and name  HB2)   (resid  36 and name   HN)   3.060    1.260    1.260  
assign (resid  35 and name  HB1)   (resid  36 and name   HN)   3.060    1.260    1.260  
assign (resid  36 and name   HN)   (resid  36 and name  HB2)   2.850    1.050    1.050  
assign (resid  35 and name   HA)   (resid  36 and name   HN)   2.360    0.560    0.560  
assign (resid  10 and name   HA)   (resid  11 and name  HG2)   3.230    1.430    1.430  
assign (resid  10 and name   HA)   (resid  11 and name  HG1)   3.230    1.430    1.430  
assign (resid  37 and name   HN)   (resid  43 and name HG1#)   3.345    1.545    1.545  
assign (resid  36 and name   HA)   (resid  37 and name   HN)   2.430    0.630    0.630  
assign (resid  37 and name   HN)   (resid  44 and name   HN)   2.865    1.065    1.065  
assign (resid  36 and name   HN)   (resid  37 and name   HN)   3.365    1.565    1.565  
assign (resid  38 and name   HN)   (resid  38 and name  HB2)   2.810    1.010    1.010  
assign (resid  38 and name   HN)   (resid  38 and name  HB1)   2.810    1.010    1.010  
assign (resid  37 and name   HA)   (resid  38 and name   HN)   2.605    0.805    0.805  
assign (resid  38 and name   HN)   (resid  38 and name  HD#)   2.785    0.985    0.985  
assign (resid  38 and name   HN)   (resid  39 and name   HN)   3.200    1.400    1.400  
assign (resid  13 and name  HD#)   (resid  15 and name   HN)   3.390    1.590    1.590  
assign (resid  16 and name   HN)   (resid  20 and name   HN)   2.935    1.135    1.135  
assign (resid  19 and name   HN)   (resid  22 and name   HN)   3.400    1.600    1.600  
assign (resid  27 and name  HD2)   (resid  28 and name  HE#)   3.650    1.850    1.850  
assign (resid  34 and name  HA2)   (resid  48 and name  HD#)   3.165    1.365    1.365  
assign (resid  47 and name   HA)   (resid  48 and name  HD#)   2.970    1.170    1.170  
assign (resid  34 and name  HA2)   (resid  48 and name   HN)   3.125    1.325    1.325  
assign (resid  44 and name   HA)   (resid  44 and name  HD2)   3.085    1.285    1.285  
assign (resid   9 and name   HA)   (resid  46 and name  HD2)   3.025    1.225    1.225  
assign (resid  10 and name   HA)   (resid  28 and name  HE#)   3.510    1.710    1.710  
assign (resid  28 and name   HA)   (resid  28 and name  HE#)   3.370    1.570    1.570  
assign (resid  24 and name   HA)   (resid  28 and name  HE#)   3.100    1.300    1.300  
assign (resid   4 and name   HA)   (resid  48 and name  HD#)   2.915    1.115    1.115  
assign (resid  33 and name   HA)   (resid  48 and name  HD#)   3.290    1.490    1.490  
assign (resid  24 and name   HA)   (resid  28 and name  HD#)   2.660    0.860    0.860  
assign (resid  13 and name  HD#)   (resid  14 and name   HA)   2.840    1.040    1.040  
assign (resid  28 and name  HD#)   (resid  47 and name  HB2)   3.040    1.240    1.240  
assign (resid  13 and name  HE#)   (resid  14 and name  HB1)   2.960    1.160    1.160  
assign (resid  28 and name  HE#)   (resid  47 and name  HB2)   3.135    1.335    1.335  
assign (resid  38 and name  HE#)   (resid  43 and name   HB)   3.210    1.410    1.410  
assign (resid  33 and name  HG2)   (resid  48 and name  HD#)   3.355    1.555    1.555  
assign (resid  33 and name  HG1)   (resid  48 and name  HD#)   3.355    1.555    1.555  
assign (resid   7 and name HD1#)   (resid  31 and name   HN)   3.045    1.245    1.245  
assign (resid   7 and name HD2#)   (resid  51 and name  HD#)   3.300    1.500    1.500  
assign (resid   7 and name HD2#)   (resid  51 and name  HE#)   3.315    1.515    1.515  
assign (resid  28 and name  HE#)   (resid  31 and name  HB#)   3.545    1.745    1.745  
assign (resid  10 and name  HB#)   (resid  28 and name  HE#)   2.680    0.880    0.880  
assign (resid  34 and name  HA1)   (resid  47 and name   HA)   3.135    1.335    1.335  
assign (resid  31 and name   HA)   (resid  49 and name  HA2)   3.180    1.380    1.380  
assign (resid  50 and name   HA)   (resid  51 and name   HA)   3.130    1.330    1.330  
assign (resid   9 and name   HA)   (resid  46 and name   HA)   2.975    1.175    1.175  
assign (resid  31 and name   HA)   (resid  49 and name  HA1)   3.180    1.380    1.380  
assign (resid  19 and name   HA)   (resid  22 and name  HB2)   2.890    1.090    1.090  
assign (resid  19 and name   HA)   (resid  22 and name  HB1)   2.890    1.090    1.090  
assign (resid  10 and name  HB#)   (resid  24 and name   HA)   3.080    1.280    1.280  
assign (resid  12 and name HG1#)   (resid  20 and name   HA)   2.660    0.860    0.860  
assign (resid  12 and name HG2#)   (resid  20 and name   HA)   2.660    0.860    0.860  
assign (resid  12 and name HG1#)   (resid  45 and name  HB1)   3.650    1.850    1.850  
assign (resid  12 and name HG2#)   (resid  45 and name  HB1)   3.650    1.850    1.850  
assign (resid  10 and name  HB#)   (resid  27 and name  HB2)   3.110    1.310    1.310  
assign (resid  31 and name  HB#)   (resid  47 and name  HB1)   2.840    1.040    1.040  
assign (resid  10 and name  HB#)   (resid  27 and name  HB1)   3.110    1.310    1.310  
assign (resid   9 and name   HN)   (resid  46 and name   HA)   3.650    1.850    1.850  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   3.005    1.205    1.205  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.600    0.800    0.800  
assign (resid   3 and name  HB#)   (resid   5 and name   HN)   3.565    1.765    1.765  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.640    0.840    0.840  
assign (resid   4 and name   HA)   (resid  48 and name  HB#)   3.065    1.265    1.265  
assign (resid   5 and name   HN)   (resid  48 and name  HB#)   3.570    1.770    1.770  
assign (resid   5 and name  HB#)   (resid  49 and name   HN)   3.010    1.210    1.210  
assign (resid   6 and name   HN)   (resid   6 and name  HB#)   2.470    0.670    0.670  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   3.000    1.200    1.200  
assign (resid   6 and name  HD#)   (resid  46 and name  HB#)   2.685    0.885    0.885  
assign (resid   6 and name  HE#)   (resid  46 and name  HB#)   2.930    1.130    1.130  
assign (resid   7 and name  HB#)   (resid  28 and name  HE#)   3.350    1.550    1.550  
assign (resid   7 and name  HB#)   (resid  47 and name  HB2)   2.815    1.015    1.015  
assign (resid   7 and name  HB#)   (resid  47 and name  HB1)   2.880    1.080    1.080  
assign (resid   7 and name HD2#)   (resid  49 and name  HA#)   2.885    1.085    1.085  
assign (resid   8 and name  HA#)   (resid  28 and name  HE#)   2.830    1.030    1.030  
assign (resid   9 and name   HN)   (resid   9 and name  HG#)   2.980    1.180    1.180  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   2.940    1.140    1.140  
assign (resid   9 and name  HG#)   (resid  46 and name  HD2)   3.065    1.265    1.265  
assign (resid  10 and name   HN)   (resid  45 and name  HB#)   2.910    1.110    1.110  
assign (resid  10 and name  HB#)   (resid  11 and name  HG#)   2.945    1.145    1.145  
assign (resid  10 and name  HB#)   (resid  11 and name  HD#)   2.465    0.665    0.665  
assign (resid  10 and name  HB#)   (resid  23 and name  HG*)   2.440    0.640    0.640  
assign (resid  11 and name   HA)   (resid  12 and name  HG*)   3.340    1.540    1.540  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.790    0.990    0.990  
assign (resid  11 and name  HG#)   (resid  27 and name  HE1)   3.000    1.200    1.200  
assign (resid  11 and name  HD#)   (resid  27 and name  HE1)   2.970    1.170    1.170  
assign (resid  12 and name   HN)   (resid  12 and name  HG*)   2.895    1.095    1.095  
assign (resid  12 and name   HN)   (resid  23 and name  HG*)   3.620    1.820    1.820  
assign (resid  12 and name   HN)   (resid  45 and name  HB#)   3.340    1.540    1.540  
assign (resid  12 and name   HA)   (resid  12 and name  HG*)   2.455    0.655    0.655  
assign (resid  12 and name   HA)   (resid  13 and name  HB#)   3.290    1.490    1.490  
assign (resid  12 and name  HG*)   (resid  13 and name   HN)   2.880    1.080    1.080  
assign (resid  12 and name  HG*)   (resid  15 and name   HN)   3.315    1.515    1.515  
assign (resid  12 and name  HG*)   (resid  15 and name  HB#)   3.170    1.370    1.370  
assign (resid  12 and name  HG*)   (resid  16 and name   HN)   3.085    1.285    1.285  
assign (resid  12 and name  HG*)   (resid  19 and name  HB#)   2.635    0.835    0.835  
assign (resid  12 and name  HG*)   (resid  20 and name   HN)   3.155    1.355    1.355  
assign (resid  12 and name  HG*)   (resid  20 and name  HB#)   3.180    1.380    1.380  
assign (resid  12 and name  HG*)   (resid  23 and name  HG*)   2.515    0.715    0.715  
assign (resid  12 and name  HG*)   (resid  45 and name   HN)   3.305    1.505    1.505  
assign (resid  12 and name  HG*)   (resid  45 and name  HB#)   2.505    0.705    0.705  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.570    0.770    0.770  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.415    0.615    0.615  
assign (resid  15 and name   HN)   (resid  43 and name  HG*)   3.355    1.555    1.555  
assign (resid  15 and name  HB#)   (resid  43 and name  HG*)   2.455    0.655    0.655  
assign (resid  16 and name   HN)   (resid  16 and name  HG#)   3.200    1.400    1.400  
assign (resid  16 and name   HN)   (resid  16 and name  HD#)   2.920    1.120    1.120  
assign (resid  16 and name   HA)   (resid  16 and name  HG#)   2.700    0.900    0.900  
assign (resid  16 and name   HA)   (resid  16 and name  HD#)   2.700    0.900    0.900  
assign (resid  16 and name  HB#)   (resid  16 and name  HD#)   2.270    0.470    0.470  
assign (resid  16 and name  HB#)   (resid  17 and name   HN)   2.700    0.900    0.900  
assign (resid  16 and name  HB#)   (resid  18 and name   HN)   3.010    1.210    1.210  
assign (resid  16 and name  HB#)   (resid  19 and name   HN)   2.975    1.175    1.175  
assign (resid  16 and name  HB#)   (resid  20 and name   HN)   3.210    1.410    1.410  
assign (resid  16 and name  HG#)   (resid  17 and name   HN)   3.000    1.200    1.200  
assign (resid  16 and name  HD#)   (resid  17 and name   HN)   3.205    1.405    1.405  
assign (resid  17 and name   HN)   (resid  17 and name  HB#)   2.410    0.610    0.610  
assign (resid  17 and name   HN)   (resid  17 and name  HG#)   2.805    1.005    1.005  
assign (resid  17 and name   HA)   (resid  17 and name  HG#)   2.700    0.900    0.900  
assign (resid  17 and name   HA)   (resid  20 and name  HB#)   2.795    0.995    0.995  
assign (resid  17 and name  HB#)   (resid  18 and name   HN)   2.670    0.870    0.870  
assign (resid  18 and name   HN)   (resid  18 and name  HB#)   2.435    0.635    0.635  
assign (resid  18 and name   HN)   (resid  18 and name  HG#)   3.070    1.270    1.270  
assign (resid  18 and name   HA)   (resid  18 and name  HD#)   3.205    1.405    1.405  
assign (resid  18 and name  HB#)   (resid  19 and name   HN)   2.635    0.835    0.835  
assign (resid  19 and name   HA)   (resid  23 and name  HG*)   3.235    1.435    1.435  
assign (resid  19 and name  HB#)   (resid  20 and name  HB#)   3.295    1.495    1.495  
assign (resid  19 and name  HB#)   (resid  23 and name  HG*)   3.095    1.295    1.295  
assign (resid  20 and name   HN)   (resid  20 and name  HB#)   2.415    0.615    0.615  
assign (resid  20 and name   HN)   (resid  23 and name  HG*)   3.325    1.525    1.525  
assign (resid  20 and name   HA)   (resid  23 and name  HG*)   2.715    0.915    0.915  
assign (resid  21 and name   HN)   (resid  21 and name  HG#)   3.150    1.350    1.350  
assign (resid  21 and name   HA)   (resid  24 and name  HB#)   3.125    1.325    1.325  
assign (resid  21 and name  HB2)   (resid  21 and name  HE#)   3.115    1.315    1.315  
assign (resid  22 and name   HN)   (resid  22 and name  HB#)   2.435    0.635    0.635  
assign (resid  22 and name   HN)   (resid  23 and name  HG*)   3.260    1.460    1.460  
assign (resid  22 and name   HA)   (resid  25 and name  HB#)   3.055    1.255    1.255  
assign (resid  23 and name   HN)   (resid  23 and name  HG*)   2.415    0.615    0.615  
assign (resid  23 and name  HG*)   (resid  24 and name   HN)   2.585    0.785    0.785  
assign (resid  23 and name  HG*)   (resid  24 and name   HA)   3.290    1.490    1.490  
assign (resid  23 and name  HG*)   (resid  25 and name   HN)   3.515    1.715    1.715  
assign (resid  23 and name  HG*)   (resid  26 and name   HN)   3.125    1.325    1.325  
assign (resid  23 and name  HG*)   (resid  26 and name  HB#)   2.980    1.180    1.180  
assign (resid  23 and name  HG*)   (resid  27 and name   HN)   3.205    1.405    1.405  
assign (resid  23 and name  HG*)   (resid  27 and name  HD2)   2.595    0.795    0.795  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.400    0.600    0.600  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   2.610    0.810    0.810  
assign (resid  24 and name  HB#)   (resid  31 and name  HB#)   3.045    1.245    1.245  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.445    0.645    0.645  
assign (resid  25 and name   HN)   (resid  25 and name  HG#)   2.685    0.885    0.885  
assign (resid  25 and name  HB#)   (resid  25 and name  HE#)   3.140    1.340    1.340  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.515    0.715    0.715  
assign (resid  26 and name   HN)   (resid  26 and name  HG#)   2.725    0.925    0.925  
assign (resid  26 and name   HA)   (resid  26 and name  HG#)   2.760    0.960    0.960  
assign (resid  26 and name  HB#)   (resid  27 and name   HN)   2.870    1.070    1.070  
assign (resid  26 and name  HB#)   (resid  27 and name  HD2)   2.910    1.110    1.110  
assign (resid  27 and name   HN)   (resid  27 and name  HB#)   2.500    0.700    0.700  
assign (resid  27 and name  HB#)   (resid  28 and name   HN)   2.915    1.115    1.115  
assign (resid  27 and name  HB#)   (resid  28 and name  HE#)   2.890    1.090    1.090  
assign (resid  28 and name   HN)   (resid  28 and name  HB#)   2.720    0.920    0.920  
assign (resid  28 and name  HB#)   (resid  29 and name   HN)   2.780    0.980    0.980  
assign (resid  28 and name  HB#)   (resid  31 and name  HB#)   2.600    0.800    0.800  
assign (resid  29 and name   HN)   (resid  29 and name  HB#)   2.430    0.630    0.630  
assign (resid  29 and name  HB#)   (resid  30 and name   HN)   2.890    1.090    1.090  
assign (resid  30 and name   HN)   (resid  30 and name  HB#)   2.590    0.790    0.790  
assign (resid  30 and name  HB#)   (resid  30 and name  HE1)   3.130    1.330    1.330  
assign (resid  30 and name  HB#)   (resid  31 and name   HN)   3.060    1.260    1.260  
assign (resid  31 and name   HA)   (resid  49 and name  HA#)   2.760    0.960    0.960  
assign (resid  32 and name   HN)   (resid  33 and name  HB#)   3.340    1.540    1.540  
assign (resid  32 and name   HN)   (resid  49 and name  HA#)   2.600    0.800    0.800  
assign (resid  33 and name   HN)   (resid  33 and name  HG#)   3.305    1.505    1.505  
assign (resid  33 and name   HN)   (resid  48 and name  HB#)   3.195    1.395    1.395  
assign (resid  33 and name   HN)   (resid  49 and name  HA#)   3.155    1.355    1.355  
assign (resid  33 and name  HB#)   (resid  48 and name   HN)   3.200    1.400    1.400  
assign (resid  33 and name  HB#)   (resid  48 and name  HB#)   2.775    0.975    0.975  
assign (resid  33 and name  HB#)   (resid  48 and name  HD#)   2.915    1.115    1.115  
assign (resid  33 and name  HG#)   (resid  34 and name   HN)   2.945    1.145    1.145  
assign (resid  33 and name  HG#)   (resid  48 and name  HB#)   3.410    1.610    1.610  
assign (resid  33 and name  HG#)   (resid  48 and name  HD#)   3.000    1.200    1.200  
assign (resid  35 and name   HN)   (resid  35 and name  HB#)   2.655    0.855    0.855  
assign (resid  35 and name   HN)   (resid  35 and name  HG#)   3.205    1.405    1.405  
assign (resid  35 and name   HN)   (resid  46 and name  HB#)   3.250    1.450    1.450  
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)   2.770    0.970    0.970  
assign (resid  35 and name  HG#)   (resid  36 and name   HN)   3.195    1.395    1.395  
assign (resid  36 and name   HN)   (resid  36 and name  HB#)   2.465    0.665    0.665  
assign (resid  36 and name   HA)   (resid  37 and name  HG#)   3.185    1.385    1.385  
assign (resid  36 and name  HB#)   (resid  37 and name   HN)   3.015    1.215    1.215  
assign (resid  36 and name  HB#)   (resid  43 and name  HG*)   2.570    0.770    0.770  
assign (resid  37 and name   HN)   (resid  37 and name  HB#)   2.660    0.860    0.860  
assign (resid  37 and name   HN)   (resid  37 and name  HG#)   2.755    0.955    0.955  
assign (resid  37 and name   HN)   (resid  43 and name  HG*)   3.035    1.235    1.235  
assign (resid  37 and name  HB#)   (resid  38 and name   HN)   3.055    1.255    1.255  
assign (resid  38 and name   HN)   (resid  38 and name  HB#)   2.465    0.665    0.665  
assign (resid  38 and name   HN)   (resid  43 and name  HG*)   3.295    1.495    1.495  
assign (resid  38 and name  HD#)   (resid  43 and name  HG*)   2.680    0.880    0.880  
assign (resid  38 and name  HE#)   (resid  43 and name  HG*)   2.865    1.065    1.065  
assign (resid  39 and name   HN)   (resid  43 and name  HG*)   3.260    1.460    1.460  
assign (resid  40 and name  HA#)   (resid  41 and name   HN)   2.335    0.535    0.535  
assign (resid  41 and name   HN)   (resid  41 and name  HB#)   2.550    0.750    0.750  
assign (resid  41 and name   HN)   (resid  41 and name  HG#)   3.260    1.460    1.460  
assign (resid  41 and name   HA)   (resid  41 and name  HG#)   2.730    0.930    0.930  
assign (resid  41 and name  HB#)   (resid  42 and name   HN)   3.090    1.290    1.290  
assign (resid  42 and name   HN)   (resid  42 and name  HB#)   2.565    0.765    0.765  
assign (resid  42 and name   HN)   (resid  42 and name  HG#)   2.965    1.165    1.165  
assign (resid  42 and name  HB#)   (resid  43 and name   HN)   2.960    1.160    1.160  
assign (resid  43 and name  HG*)   (resid  44 and name   HN)   2.665    0.865    0.865  
assign (resid  44 and name   HN)   (resid  44 and name  HB#)   2.640    0.840    0.840  
assign (resid  44 and name  HB#)   (resid  45 and name   HN)   2.690    0.890    0.890  
assign (resid  44 and name  HB#)   (resid  46 and name   HN)   3.570    1.770    1.770  
assign (resid  45 and name   HN)   (resid  45 and name  HB#)   2.540    0.740    0.740  
assign (resid  45 and name  HB#)   (resid  46 and name   HN)   2.940    1.140    1.140  
assign (resid  46 and name   HN)   (resid  46 and name  HB#)   2.605    0.805    0.805  
assign (resid  46 and name  HB#)   (resid  47 and name   HN)   2.930    1.130    1.130  
assign (resid  48 and name   HN)   (resid  48 and name  HB#)   2.640    0.840    0.840  
assign (resid  48 and name  HB#)   (resid  49 and name   HN)   2.700    0.900    0.900  
assign (resid  50 and name   HN)   (resid  50 and name  HB#)   2.535    0.735    0.735  
assign (resid  50 and name  HB#)   (resid  51 and name   HN)   2.950    1.150    1.150  
assign (resid  51 and name   HN)   (resid  51 and name  HB#)   2.530    0.730    0.730  
assign (resid  52 and name   HN)   (resid  52 and name  HB#)   2.725    0.925    0.925  
!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  -70.0   50.0 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  140.0   40.0 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -100.0   80.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -100.0   80.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0  -80.0   40.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0  130.0   30.0 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0  -80.0   30.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  130.0   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 -110.0   50.0 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0 -120.0   40.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  150.0   30.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -110.0   30.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  140.0   30.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  130.0   40.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0 -110.0   50.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  130.0   30.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0 -120.0   40.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  140.0   30.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  140.0   40.0 2
assign (resid 16    and name C    ) (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    )    1.0  -60.0   30.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0  -40.0   30.0 2
assign (resid 17    and name C    ) (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    )    1.0  -80.0   30.0 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    ) (resid 19    and name N    )    1.0  -40.0   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  -60.0   30.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  -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  -60.0   30.0 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  -70.0   30.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  -40.0   30.0 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -60.0   30.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  -40.0   30.0 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -70.0   30.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  -40.0   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  -70.0   30.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    ) (resid 26    and name N    )    1.0  -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   30.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  -30.0   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   30.0 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   80.0 2
assign (resid 29    and name C    ) (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    )    1.0 -100.0   80.0 2
assign (resid 32    and name C    ) (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    )    1.0 -130.0   30.0 2
assign (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    ) (resid 34    and name N    )    1.0  140.0   30.0 2
assign (resid 34    and name C    ) (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    )    1.0 -130.0   30.0 2
assign (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    ) (resid 36    and name N    )    1.0  150.0   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  -80.0   40.0 2
assign (resid 36    and name N    ) (resid 36    and name CA   ) (resid 36    and name C    ) (resid 37    and name N    )    1.0  130.0   30.0 2
assign (resid 36    and name C    ) (resid 37    and name N    ) (resid 37    and name CA   ) (resid 37    and name C    )    1.0 -120.0   40.0 2
assign (resid 37    and name C    ) (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name C    )    1.0 -110.0   40.0 2
assign (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name C    ) (resid 39    and name N    )    1.0  140.0   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 -100.0   80.0 2
assign (resid 39    and name N    ) (resid 39    and name CA   ) (resid 39    and name C    ) (resid 40    and name N    )    1.0  120.0   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  -95.0   35.0 2
assign (resid 41    and name C    ) (resid 42    and name N    ) (resid 42    and name CA   ) (resid 42    and name C    )    1.0  -95.0   35.0 2
assign (resid 42    and name C    ) (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name C    )    1.0 -110.0   40.0 2
assign (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name C    ) (resid 44    and name N    )    1.0  130.0   40.0 2
assign (resid 43    and name C    ) (resid 44    and name N    ) (resid 44    and name CA   ) (resid 44    and name C    )    1.0 -120.0   30.0 2
assign (resid 44    and name N    ) (resid 44    and name CA   ) (resid 44    and name C    ) (resid 45    and name N    )    1.0  130.0   30.0 2
assign (resid 45    and name N    ) (resid 45    and name CA   ) (resid 45    and name C    ) (resid 46    and name N    )    1.0  130.0   30.0 2
assign (resid 45    and name C    ) (resid 46    and name N    ) (resid 46    and name CA   ) (resid 46    and name C    )    1.0 -110.0   30.0 2
assign (resid 46    and name N    ) (resid 46    and name CA   ) (resid 46    and name C    ) (resid 47    and name N    )    1.0  130.0   30.0 2
assign (resid 46    and name C    ) (resid 47    and name N    ) (resid 47    and name CA   ) (resid 47    and name C    )    1.0 -100.0   30.0 2
assign (resid 47    and name N    ) (resid 47    and name CA   ) (resid 47    and name C    ) (resid 48    and name N    )    1.0  130.0   30.0 2
assign (resid 47    and name C    ) (resid 48    and name N    ) (resid 48    and name CA   ) (resid 48    and name C    )    1.0 -130.0   40.0 2
assign (resid 48    and name N    ) (resid 48    and name CA   ) (resid 48    and name C    ) (resid 49    and name N    )    1.0  150.0   30.0 2
assign (resid 49    and name C    ) (resid 50    and name N    ) (resid 50    and name CA   ) (resid 50    and name C    )    1.0 -110.0   30.0 2
assign (resid 50    and name N    ) (resid 50    and name CA   ) (resid 50    and name C    ) (resid 51    and name N    )    1.0  130.0   30.0 2
assign (resid 50    and name C    ) (resid 51    and name N    ) (resid 51    and name CA   ) (resid 51    and name C    )    1.0 -100.0   40.0 2
assign (resid 51    and name N    ) (resid 51    and name CA   ) (resid 51    and name C    ) (resid 52    and name N    )    1.0  140.0   30.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name SG   )    1.0  -60.0   30.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name CB   ) (resid 6     and name CG   )    1.0 -120.0   90.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name CB   ) (resid 7     and name CG   )    1.0  -60.0   30.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name CB   ) (resid 15    and name SG   )    1.0  180.0   30.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name CB   ) (resid 24    and name SG   )    1.0 -120.0   90.0 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name CB   ) (resid 27    and name CG   )    1.0  -60.0   30.0 2
assign (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name CB   ) (resid 29    and name CG   )    1.0  -60.0   30.0 2
assign (resid 36    and name N    ) (resid 36    and name CA   ) (resid 36    and name CB   ) (resid 36    and name SG   )    1.0 -120.0   90.0 2
assign (resid 37    and name N    ) (resid 37    and name CA   ) (resid 37    and name CB   ) (resid 37    and name CG   )    1.0  -60.0   30.0 2
assign (resid 41    and name N    ) (resid 41    and name CA   ) (resid 41    and name CB   ) (resid 41    and name CG   )    1.0 -120.0   90.0 2
assign (resid 47    and name N    ) (resid 47    and name CA   ) (resid 47    and name CB   ) (resid 47    and name SG   )    1.0  -60.0   30.0 2
assign (resid 48    and name N    ) (resid 48    and name CA   ) (resid 48    and name CB   ) (resid 48    and name CG   )    1.0  -60.0   30.0 2
!hbond restraints
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 27    and name HN   ) (resid 23    and name O    )    0    0    2
assign (resid 27    and name N    ) (resid 23    and name O    )    0    0    3
assign (resid 7    and name HN   ) (resid 47    and name O    )    0    0    2
assign (resid 7    and name N    ) (resid 47    and name O    )    0    0    3
assign (resid 48    and name HN   ) (resid 33    and name O    )    0    0    2
assign (resid 48    and name N    ) (resid 33    and name O    )    0    0    3
assign (resid 10    and name HN   ) (resid 45    and name O    )    0    0    2
assign (resid 10    and name N    ) (resid 45    and name O    )    0    0    3
assign (resid 35    and name HN   ) (resid 46    and name O    )    0    0    2
assign (resid 35    and name N    ) (resid 46    and name O    )    0    0    3
assign (resid 49    and name HN   ) (resid 5    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  -8.025 -12.109 -10.078
    2    HA   ALA   1           HA       ALA   1  -5.831 -11.662  -8.783
    3    HB1  ALA   1          1HB       ALA   1  -4.803 -11.912 -11.610
    4    HB2  ALA   1          2HB       ALA   1  -4.480 -13.051 -10.306
    5    HB3  ALA   1          3HB       ALA   1  -3.870 -11.398 -10.204
    6    H    HIS   2           H        HIS   2  -7.139  -9.881  -8.392
    7    HA   HIS   2           HA       HIS   2  -6.873  -7.753 -10.415
    8    HB2  HIS   2          2HB       HIS   2  -9.126  -8.159  -8.431
    9    HB3  HIS   2          1HB       HIS   2  -8.931  -6.729  -9.425
   10    HD1  HIS   2          1HD       HIS   2 -11.277  -9.055  -9.397
   11    HD2  HIS   2          2HD       HIS   2  -8.408  -8.254 -12.282
   12    HE1  HIS   2          1HE       HIS   2 -12.196  -9.965 -11.561
   13    H    CYS   3           H        CYS   3  -6.028  -5.834  -9.729
   14    HA   CYS   3           HA       CYS   3  -4.915  -5.805  -7.050
   15    HB2  CYS   3          2HB       CYS   3  -4.545  -3.944  -9.421
   16    HB3  CYS   3          1HB       CYS   3  -3.762  -3.725  -7.862
   17    H    ASP   4           H        ASP   4  -7.794  -5.387  -7.850
   18    HA   ASP   4           HA       ASP   4  -8.331  -2.667  -7.017
   19    HB2  ASP   4          2HB       ASP   4 -10.041  -4.880  -8.095
   20    HB3  ASP   4          1HB       ASP   4 -10.793  -3.535  -7.260
   21    H    HIS   5           H        HIS   5  -7.551  -5.300  -5.285
   22    HA   HIS   5           HA       HIS   5  -9.595  -4.882  -3.212
   23    HB2  HIS   5          2HB       HIS   5  -7.564  -7.103  -3.425
   24    HB3  HIS   5          1HB       HIS   5  -8.937  -7.009  -2.343
   25    HD1  HIS   5          1HD       HIS   5  -7.876  -8.269  -5.615
   26    HD2  HIS   5          2HD       HIS   5 -11.459  -7.385  -3.705
   27    HE1  HIS   5          1HE       HIS   5  -9.650  -9.592  -6.830
   28    H    PHE   6           H        PHE   6  -8.871  -4.367  -1.117
   29    HA   PHE   6           HA       PHE   6  -6.089  -3.556  -0.864
   30    HB2  PHE   6          2HB       PHE   6  -8.435  -3.301   1.040
   31    HB3  PHE   6          1HB       PHE   6  -6.798  -2.835   1.450
   32    HD1  PHE   6          1HD       PHE   6  -5.723  -0.899   0.172
   33    HD2  PHE   6          2HD       PHE   6  -9.878  -1.863  -0.092
   34    HE1  PHE   6          1HE       PHE   6  -6.207   1.362  -0.622
   35    HE2  PHE   6          2HE       PHE   6 -10.342   0.403  -0.898
   36    HZ   PHE   6           HZ       PHE   6  -8.505   2.020  -1.159
   37    H    LEU   7           H        LEU   7  -4.666  -4.808   0.072
   38    HA   LEU   7           HA       LEU   7  -5.550  -7.331   1.252
   39    HB2  LEU   7          2HB       LEU   7  -2.761  -6.315   0.727
   40    HB3  LEU   7          1HB       LEU   7  -3.174  -7.927   1.271
   41    HG   LEU   7           HG       LEU   7  -3.793  -6.712  -1.414
   42   HD11  LEU   7          1HD1      LEU   7  -1.504  -7.365  -1.174
   43   HD12  LEU   7          2HD1      LEU   7  -2.333  -8.519  -2.224
   44   HD13  LEU   7          3HD1      LEU   7  -1.978  -8.941  -0.551
   45   HD21  LEU   7          1HD2      LEU   7  -4.700  -8.922  -1.992
   46   HD22  LEU   7          2HD2      LEU   7  -5.641  -8.120  -0.740
   47   HD23  LEU   7          3HD2      LEU   7  -4.529  -9.419  -0.308
   48    H    GLY   8           H        GLY   8  -3.900  -4.360   2.069
   49    HA2  GLY   8          2HA       GLY   8  -4.673  -4.303   4.679
   50    HA3  GLY   8          1HA       GLY   8  -3.121  -5.137   4.647
   51    H    GLU   9           H        GLU   9  -2.047  -3.534   5.687
   52    HA   GLU   9           HA       GLU   9  -1.674  -1.028   4.206
   53    HB2  GLU   9          2HB       GLU   9  -1.958  -1.323   7.193
   54    HB3  GLU   9          1HB       GLU   9  -1.589   0.159   6.334
   55    HG2  GLU   9          2HG       GLU   9  -3.787   0.133   5.310
   56    HG3  GLU   9          1HG       GLU   9  -4.150  -1.400   6.104
   57    H    ALA  10           H        ALA  10   0.381  -0.188   4.438
   58    HA   ALA  10           HA       ALA  10   2.294  -1.853   5.899
   59    HB1  ALA  10          1HB       ALA  10   2.754  -0.363   3.305
   60    HB2  ALA  10          2HB       ALA  10   2.627  -2.117   3.491
   61    HB3  ALA  10          3HB       ALA  10   3.979  -1.247   4.215
   62    HA   PRO  11           HA       PRO  11   3.098   2.025   7.916
   63    HB2  PRO  11          2HB       PRO  11   5.233   1.278   9.401
   64    HB3  PRO  11          1HB       PRO  11   3.592   0.757   9.795
   65    HG2  PRO  11          2HG       PRO  11   5.783  -0.749   8.447
   66    HG3  PRO  11          1HG       PRO  11   4.554  -1.326   9.586
   67    HD2  PRO  11          2HD       PRO  11   4.463  -1.663   6.845
   68    HD3  PRO  11          1HD       PRO  11   3.060  -1.731   7.927
   69    H    VAL  12           H        VAL  12   3.752   3.268   6.153
   70    HA   VAL  12           HA       VAL  12   6.666   3.347   5.697
   71    HB   VAL  12           HB       VAL  12   4.572   3.946   3.585
   72   HG11  VAL  12          1HG1      VAL  12   7.559   3.629   3.338
   73   HG12  VAL  12          2HG1      VAL  12   6.688   5.153   3.323
   74   HG13  VAL  12          3HG1      VAL  12   6.438   3.984   2.021
   75   HG21  VAL  12          1HG2      VAL  12   6.300   1.494   3.875
   76   HG22  VAL  12          2HG2      VAL  12   5.265   1.857   2.495
   77   HG23  VAL  12          3HG2      VAL  12   4.552   1.563   4.081
   78    H    TYR  13           H        TYR  13   7.363   5.211   6.591
   79    HA   TYR  13           HA       TYR  13   6.017   7.624   5.758
   80    HB2  TYR  13          2HB       TYR  13   5.172   6.975   8.089
   81    HB3  TYR  13          1HB       TYR  13   6.813   7.278   8.660
   82    HD1  TYR  13          1HD       TYR  13   7.781   9.601   8.401
   83    HD2  TYR  13          2HD       TYR  13   3.678   8.757   7.702
   84    HE1  TYR  13          1HE       TYR  13   7.276  11.987   8.527
   85    HE2  TYR  13          2HE       TYR  13   3.160  11.141   7.842
   86    HH   TYR  13           HH       TYR  13   4.155  13.193   8.832
   87    HA   PRO  14           HA       PRO  14   6.422   9.586   5.268
   88    HB2  PRO  14          2HB       PRO  14   8.073  10.417   2.999
   89    HB3  PRO  14          1HB       PRO  14   7.332  11.403   4.267
   90    HG2  PRO  14          2HG       PRO  14  10.014  11.028   4.082
   91    HG3  PRO  14          1HG       PRO  14   9.170  11.322   5.611
   92    HD2  PRO  14          2HD       PRO  14  10.143   8.740   4.448
   93    HD3  PRO  14          1HD       PRO  14  10.213   9.317   6.128
   94    H    CYS  15           H        CYS  15   5.044   9.207   3.490
   95    HA   CYS  15           HA       CYS  15   5.601   6.600   2.351
   96    HB2  CYS  15          2HB       CYS  15   3.518   7.041   3.714
   97    HB3  CYS  15          1HB       CYS  15   2.972   8.075   2.399
   98    H    LYS  16           H        LYS  16   6.573   6.714   0.487
   99    HA   LYS  16           HA       LYS  16   5.637   8.649  -1.497
  100    HB2  LYS  16          2HB       LYS  16   8.039   6.801  -1.501
  101    HB3  LYS  16          1HB       LYS  16   7.523   7.702  -2.906
  102    HG2  LYS  16          2HG       LYS  16   9.345   8.867  -1.938
  103    HG3  LYS  16          1HG       LYS  16   7.887   9.787  -1.599
  104    HD2  LYS  16          2HD       LYS  16   7.786   8.968   0.592
  105    HD3  LYS  16          1HD       LYS  16   9.129   7.854   0.328
  106    HE2  LYS  16          2HE       LYS  16   9.272  10.887   0.305
  107    HE3  LYS  16          1HE       LYS  16   9.932   9.831   1.547
  108    HZ1  LYS  16          1HZ       LYS  16  11.700  10.522   0.070
  109    HZ2  LYS  16          2HZ       LYS  16  10.851  10.053  -1.274
  110    HZ3  LYS  16          3HZ       LYS  16  11.420   8.880  -0.192
  111    H    GLU  17           H        GLU  17   4.618   7.991  -3.202
  112    HA   GLU  17           HA       GLU  17   2.979   5.787  -3.270
  113    HB2  GLU  17          2HB       GLU  17   2.833   6.139  -5.789
  114    HB3  GLU  17          1HB       GLU  17   2.477   7.536  -4.783
  115    HG2  GLU  17          2HG       GLU  17   4.642   8.478  -5.224
  116    HG3  GLU  17          1HG       GLU  17   5.144   7.004  -6.039
  117    H    LYS  18           H        LYS  18   6.142   5.979  -4.881
  118    HA   LYS  18           HA       LYS  18   5.951   3.345  -5.941
  119    HB2  LYS  18          2HB       LYS  18   8.297   5.220  -5.696
  120    HB3  LYS  18          1HB       LYS  18   8.323   3.697  -6.573
  121    HG2  LYS  18          2HG       LYS  18   6.649   4.507  -8.114
  122    HG3  LYS  18          1HG       LYS  18   6.481   6.002  -7.198
  123    HD2  LYS  18          2HD       LYS  18   8.812   6.561  -7.696
  124    HD3  LYS  18          1HD       LYS  18   8.974   5.063  -8.613
  125    HE2  LYS  18          2HE       LYS  18   8.596   6.950 -10.105
  126    HE3  LYS  18          1HE       LYS  18   7.252   5.823 -10.165
  127    HZ1  LYS  18          1HZ       LYS  18   6.558   8.148 -10.106
  128    HZ2  LYS  18          2HZ       LYS  18   7.296   8.381  -8.646
  129    HZ3  LYS  18          3HZ       LYS  18   5.947   7.366  -8.751
  130    H    ALA  19           H        ALA  19   7.485   4.753  -3.118
  131    HA   ALA  19           HA       ALA  19   8.877   2.401  -2.310
  132    HB1  ALA  19          1HB       ALA  19   9.128   3.514  -0.145
  133    HB2  ALA  19          2HB       ALA  19   7.919   4.712  -0.604
  134    HB3  ALA  19          3HB       ALA  19   9.465   4.649  -1.451
  135    H    CYS  20           H        CYS  20   5.706   3.715  -1.610
  136    HA   CYS  20           HA       CYS  20   4.843   1.885   0.311
  137    HB2  CYS  20          2HB       CYS  20   3.639   3.958  -0.223
  138    HB3  CYS  20          1HB       CYS  20   3.281   3.352  -1.832
  139    H    LYS  21           H        LYS  21   4.497   1.854  -3.215
  140    HA   LYS  21           HA       LYS  21   3.175  -0.571  -3.569
  141    HB2  LYS  21          2HB       LYS  21   3.666   1.261  -5.250
  142    HB3  LYS  21          1HB       LYS  21   5.283   0.599  -5.385
  143    HG2  LYS  21          2HG       LYS  21   4.361  -1.499  -6.219
  144    HG3  LYS  21          1HG       LYS  21   2.731  -0.842  -6.028
  145    HD2  LYS  21          2HD       LYS  21   3.400   1.017  -7.576
  146    HD3  LYS  21          1HD       LYS  21   4.897   0.142  -7.882
  147    HE2  LYS  21          2HE       LYS  21   2.098  -0.837  -8.443
  148    HE3  LYS  21          1HE       LYS  21   3.249  -0.268  -9.645
  149    HZ1  LYS  21          1HZ       LYS  21   4.698  -2.180  -8.961
  150    HZ2  LYS  21          2HZ       LYS  21   3.258  -2.594  -9.680
  151    HZ3  LYS  21          3HZ       LYS  21   3.399  -2.762  -8.026
  152    H    SER  22           H        SER  22   6.530   0.145  -3.071
  153    HA   SER  22           HA       SER  22   7.511  -2.469  -3.653
  154    HB2  SER  22          2HB       SER  22   8.794  -0.090  -2.319
  155    HB3  SER  22          1HB       SER  22   9.676  -1.505  -2.876
  156    HG   SER  22           HG       SER  22   8.266   0.432  -4.406
  157    H    VAL  23           H        VAL  23   6.936  -0.633  -0.640
  158    HA   VAL  23           HA       VAL  23   7.853  -2.688   1.092
  159    HB   VAL  23           HB       VAL  23   6.006  -0.346   1.712
  160   HG11  VAL  23          1HG1      VAL  23   5.825  -2.070   3.418
  161   HG12  VAL  23          2HG1      VAL  23   6.686  -0.668   4.053
  162   HG13  VAL  23          3HG1      VAL  23   7.578  -2.115   3.583
  163   HG21  VAL  23          1HG2      VAL  23   8.981  -0.648   2.066
  164   HG22  VAL  23          2HG2      VAL  23   8.021   0.732   2.596
  165   HG23  VAL  23          3HG2      VAL  23   8.173   0.369   0.876
  166    H    CYS  24           H        CYS  24   4.706  -1.887  -0.246
  167    HA   CYS  24           HA       CYS  24   3.184  -3.639   1.220
  168    HB2  CYS  24          2HB       CYS  24   2.880  -2.595  -1.568
  169    HB3  CYS  24          1HB       CYS  24   1.727  -3.749  -0.896
  170    H    LYS  25           H        LYS  25   5.227  -4.345  -1.573
  171    HA   LYS  25           HA       LYS  25   4.319  -7.042  -1.798
  172    HB2  LYS  25          2HB       LYS  25   6.863  -5.766  -2.788
  173    HB3  LYS  25          1HB       LYS  25   6.363  -7.408  -3.146
  174    HG2  LYS  25          2HG       LYS  25   4.322  -6.467  -4.240
  175    HG3  LYS  25          1HG       LYS  25   5.003  -4.857  -3.997
  176    HD2  LYS  25          2HD       LYS  25   5.516  -5.605  -6.243
  177    HD3  LYS  25          1HD       LYS  25   7.005  -5.551  -5.298
  178    HE2  LYS  25          2HE       LYS  25   6.784  -8.019  -4.916
  179    HE3  LYS  25          1HE       LYS  25   5.370  -8.011  -5.964
  180    HZ1  LYS  25          1HZ       LYS  25   8.134  -7.279  -6.744
  181    HZ2  LYS  25          2HZ       LYS  25   6.794  -7.272  -7.775
  182    HZ3  LYS  25          3HZ       LYS  25   7.344  -8.713  -7.113
  183    H    GLU  26           H        GLU  26   6.522  -5.457   0.251
  184    HA   GLU  26           HA       GLU  26   8.114  -7.710   1.012
  185    HB2  GLU  26          2HB       GLU  26   7.567  -5.117   2.472
  186    HB3  GLU  26          1HB       GLU  26   8.791  -6.295   2.913
  187    HG2  GLU  26          2HG       GLU  26   8.717  -4.771   0.332
  188    HG3  GLU  26          1HG       GLU  26   9.691  -4.346   1.741
  189    H    HIS  27           H        HIS  27   5.399  -5.967   2.411
  190    HA   HIS  27           HA       HIS  27   5.147  -7.869   4.558
  191    HB2  HIS  27          2HB       HIS  27   3.341  -5.578   3.739
  192    HB3  HIS  27          1HB       HIS  27   3.031  -6.595   5.138
  193    HD1  HIS  27          1HD       HIS  27   4.155  -5.837   7.326
  194    HD2  HIS  27          2HD       HIS  27   5.808  -4.102   3.927
  195    HE1  HIS  27          1HE       HIS  27   5.834  -4.180   8.154
  196    H    TYR  28           H        TYR  28   3.300  -7.170   1.625
  197    HA   TYR  28           HA       TYR  28   1.902  -9.716   1.988
  198    HB2  TYR  28          2HB       TYR  28   0.990  -7.267   0.451
  199    HB3  TYR  28          1HB       TYR  28   0.038  -8.716   0.763
  200    HD1  TYR  28          1HD       TYR  28  -0.733  -9.163   3.125
  201    HD2  TYR  28          2HD       TYR  28   1.095  -5.490   2.007
  202    HE1  TYR  28          1HE       TYR  28  -1.590  -8.122   5.159
  203    HE2  TYR  28          2HE       TYR  28   0.239  -4.438   4.047
  204    HH   TYR  28           HH       TYR  28  -1.005  -6.216   6.604
  205    H    HIS  29           H        HIS  29   2.882 -11.115   0.638
  206    HA   HIS  29           HA       HIS  29   4.605 -10.172  -1.416
  207    HB2  HIS  29          2HB       HIS  29   3.785 -12.995  -0.757
  208    HB3  HIS  29          1HB       HIS  29   4.992 -12.571  -1.965
  209    HD1  HIS  29          1HD       HIS  29   6.393 -10.288  -0.160
  210    HD2  HIS  29          2HD       HIS  29   5.492 -14.181   1.003
  211    HE1  HIS  29          1HE       HIS  29   7.950 -10.826   1.720
  212    H    HIS  30           H        HIS  30   1.314 -11.024  -1.427
  213    HA   HIS  30           HA       HIS  30   1.381 -11.328  -4.322
  214    HB2  HIS  30          2HB       HIS  30  -0.901 -11.762  -2.384
  215    HB3  HIS  30          1HB       HIS  30  -0.989 -12.029  -4.115
  216    HD1  HIS  30          1HD       HIS  30  -0.363 -13.809  -1.045
  217    HD2  HIS  30          2HD       HIS  30   0.943 -14.082  -4.971
  218    HE1  HIS  30          1HE       HIS  30   0.570 -16.145  -1.301
  219    H    ALA  31           H        ALA  31   1.651  -8.812  -2.592
  220    HA   ALA  31           HA       ALA  31  -0.570  -7.225  -3.530
  221    HB1  ALA  31          1HB       ALA  31   2.004  -6.378  -2.186
  222    HB2  ALA  31          2HB       ALA  31   0.454  -6.643  -1.384
  223    HB3  ALA  31          3HB       ALA  31   0.636  -5.324  -2.537
  224    H    CYS  32           H        CYS  32  -0.478  -5.780  -5.145
  225    HA   CYS  32           HA       CYS  32   1.850  -6.001  -6.901
  226    HB2  CYS  32          2HB       CYS  32   0.087  -5.432  -8.721
  227    HB3  CYS  32          1HB       CYS  32   0.130  -7.068  -8.064
  228    H    LYS  33           H        LYS  33  -0.681  -3.803  -5.713
  229    HA   LYS  33           HA       LYS  33   1.082  -1.625  -6.539
  230    HB2  LYS  33          2HB       LYS  33  -0.969  -1.591  -7.911
  231    HB3  LYS  33          1HB       LYS  33  -1.967  -1.561  -6.474
  232    HG2  LYS  33          2HG       LYS  33  -0.855   0.601  -5.855
  233    HG3  LYS  33          1HG       LYS  33  -0.090   0.582  -7.436
  234    HD2  LYS  33          2HD       LYS  33  -2.240   0.735  -8.522
  235    HD3  LYS  33          1HD       LYS  33  -3.076   0.561  -6.971
  236    HE2  LYS  33          2HE       LYS  33  -1.962   2.607  -6.175
  237    HE3  LYS  33          1HE       LYS  33  -1.222   2.802  -7.756
  238    HZ1  LYS  33          1HZ       LYS  33  -3.206   4.173  -7.327
  239    HZ2  LYS  33          2HZ       LYS  33  -4.167   2.786  -7.323
  240    HZ3  LYS  33          3HZ       LYS  33  -3.337   3.237  -8.714
  241    H    GLY  34           H        GLY  34   1.163   0.197  -5.067
  242    HA2  GLY  34          2HA       GLY  34  -0.219  -0.073  -2.532
  243    HA3  GLY  34          1HA       GLY  34   1.536   0.145  -2.530
  244    H    GLU  35           H        GLU  35  -0.790   1.965  -1.768
  245    HA   GLU  35           HA       GLU  35   0.307   4.265  -3.169
  246    HB2  GLU  35          2HB       GLU  35  -1.744   3.453  -4.433
  247    HB3  GLU  35          1HB       GLU  35  -2.680   3.899  -3.013
  248    HG2  GLU  35          2HG       GLU  35  -1.881   6.191  -3.222
  249    HG3  GLU  35          1HG       GLU  35  -1.014   5.747  -4.689
  250    H    CYS  36           H        CYS  36   0.165   6.135  -2.015
  251    HA   CYS  36           HA       CYS  36  -0.337   5.787   0.822
  252    HB2  CYS  36          2HB       CYS  36   0.909   8.080  -0.687
  253    HB3  CYS  36          1HB       CYS  36   0.943   7.824   1.057
  254    H    GLU  37           H        GLU  37  -2.103   6.602   1.780
  255    HA   GLU  37           HA       GLU  37  -3.487   8.874   0.550
  256    HB2  GLU  37          2HB       GLU  37  -4.878   6.396   1.581
  257    HB3  GLU  37          1HB       GLU  37  -5.669   7.854   1.013
  258    HG2  GLU  37          2HG       GLU  37  -4.631   7.434  -1.219
  259    HG3  GLU  37          1HG       GLU  37  -4.085   5.880  -0.596
  260    H    TYR  38           H        TYR  38  -4.539  10.182   2.067
  261    HA   TYR  38           HA       TYR  38  -3.586   9.793   4.764
  262    HB2  TYR  38          2HB       TYR  38  -4.938  12.124   3.412
  263    HB3  TYR  38          1HB       TYR  38  -4.708  12.061   5.155
  264    HD1  TYR  38          1HD       TYR  38  -3.041  12.426   1.917
  265    HD2  TYR  38          2HD       TYR  38  -2.497  12.252   6.125
  266    HE1  TYR  38          1HE       TYR  38  -0.784  13.298   1.657
  267    HE2  TYR  38          2HE       TYR  38  -0.229  13.128   5.882
  268    HH   TYR  38           HH       TYR  38   0.897  14.552   3.071
  269    H    HIS  39           H        HIS  39  -4.685   9.036   6.307
  270    HA   HIS  39           HA       HIS  39  -7.593   9.038   6.133
  271    HB2  HIS  39          2HB       HIS  39  -5.792   6.718   6.783
  272    HB3  HIS  39          1HB       HIS  39  -7.366   6.828   7.561
  273    HD1  HIS  39          1HD       HIS  39  -7.204   8.010   4.027
  274    HD2  HIS  39          2HD       HIS  39  -8.161   4.547   6.119
  275    HE1  HIS  39          1HE       HIS  39  -8.411   6.537   2.396
  276    H    GLY  40           H        GLY  40  -8.290  10.301   7.596
  277    HA2  GLY  40          2HA       GLY  40  -8.496  11.265   9.666
  278    HA3  GLY  40          1HA       GLY  40  -7.172  10.245  10.247
  279    H    ARG  41           H        ARG  41  -5.158  11.018  10.292
  280    HA   ARG  41           HA       ARG  41  -4.708  13.594   8.964
  281    HB2  ARG  41          2HB       ARG  41  -3.655  12.844  11.694
  282    HB3  ARG  41          1HB       ARG  41  -3.298  14.320  10.811
  283    HG2  ARG  41          2HG       ARG  41  -5.950  13.475  11.943
  284    HG3  ARG  41          1HG       ARG  41  -4.946  14.820  12.474
  285    HD2  ARG  41          2HD       ARG  41  -6.421  14.542   9.860
  286    HD3  ARG  41          1HD       ARG  41  -6.766  15.664  11.164
  287    HE   ARG  41           HE       ARG  41  -4.626  16.732  10.652
  288   HH11  ARG  41          1HH1      ARG  41  -6.085  14.706   8.082
  289   HH12  ARG  41          2HH1      ARG  41  -5.387  15.599   6.815
  290   HH21  ARG  41          1HH2      ARG  41  -3.704  17.914   8.890
  291   HH22  ARG  41          2HH2      ARG  41  -4.017  17.456   7.269
  292    H    GLU  42           H        GLU  42  -3.367  10.528   9.918
  293    HA   GLU  42           HA       GLU  42  -0.773  11.173   8.801
  294    HB2  GLU  42          2HB       GLU  42  -1.864   8.614   9.944
  295    HB3  GLU  42          1HB       GLU  42  -0.223   8.829   9.364
  296    HG2  GLU  42          2HG       GLU  42   0.170  10.503  11.076
  297    HG3  GLU  42          1HG       GLU  42  -1.489  10.314  11.647
  298    H    VAL  43           H        VAL  43   0.191   9.818   7.192
  299    HA   VAL  43           HA       VAL  43  -1.743   9.106   5.152
  300    HB   VAL  43           HB       VAL  43   0.043  10.699   4.498
  301   HG11  VAL  43          1HG1      VAL  43   2.344   9.957   4.204
  302   HG12  VAL  43          2HG1      VAL  43   1.935   8.435   4.994
  303   HG13  VAL  43          3HG1      VAL  43   1.854   9.950   5.904
  304   HG21  VAL  43          1HG2      VAL  43   0.205   8.040   3.104
  305   HG22  VAL  43          2HG2      VAL  43   0.762   9.576   2.435
  306   HG23  VAL  43          3HG2      VAL  43  -0.952   9.331   2.777
  307    H    HIS  44           H        HIS  44  -2.107   7.110   4.602
  308    HA   HIS  44           HA       HIS  44  -0.543   5.019   5.919
  309    HB2  HIS  44          2HB       HIS  44  -3.444   5.096   5.069
  310    HB3  HIS  44          1HB       HIS  44  -2.629   3.627   5.570
  311    HD1  HIS  44          1HD       HIS  44  -3.579   3.089   7.821
  312    HD2  HIS  44          2HD       HIS  44  -2.732   7.142   7.417
  313    HE1  HIS  44          1HE       HIS  44  -4.068   4.122  10.054
  314    H    CYS  45           H        CYS  45   0.259   3.406   4.723
  315    HA   CYS  45           HA       CYS  45   0.211   3.674   1.839
  316    HB2  CYS  45          2HB       CYS  45   2.373   3.375   2.905
  317    HB3  CYS  45          1HB       CYS  45   1.793   1.971   3.779
  318    H    HIS  46           H        HIS  46  -1.509   2.718   0.890
  319    HA   HIS  46           HA       HIS  46  -2.686   0.416   2.187
  320    HB2  HIS  46          2HB       HIS  46  -3.709   2.188  -0.041
  321    HB3  HIS  46          1HB       HIS  46  -4.566   0.795   0.610
  322    HD1  HIS  46          1HD       HIS  46  -5.458   3.972   0.758
  323    HD2  HIS  46          2HD       HIS  46  -3.965   1.538   3.795
  324    HE1  HIS  46          1HE       HIS  46  -6.210   4.990   2.916
  325    H    CYS  47           H        CYS  47  -2.437  -1.505   1.463
  326    HA   CYS  47           HA       CYS  47  -0.855  -1.879  -0.942
  327    HB2  CYS  47          2HB       CYS  47  -1.568  -3.784   1.276
  328    HB3  CYS  47          1HB       CYS  47  -0.437  -4.099  -0.041
  329    H    TYR  48           H        TYR  48  -1.734  -2.516  -2.737
  330    HA   TYR  48           HA       TYR  48  -4.460  -3.599  -2.753
  331    HB2  TYR  48          2HB       TYR  48  -2.826  -2.398  -4.976
  332    HB3  TYR  48          1HB       TYR  48  -4.505  -2.889  -5.086
  333    HD1  TYR  48          1HD       TYR  48  -6.255  -1.426  -4.310
  334    HD2  TYR  48          2HD       TYR  48  -2.179  -0.403  -3.730
  335    HE1  TYR  48          1HE       TYR  48  -6.911   0.870  -3.737
  336    HE2  TYR  48          2HE       TYR  48  -2.809   1.864  -3.151
  337    HH   TYR  48           HH       TYR  48  -5.941   2.795  -2.439
  338    H    GLY  49           H        GLY  49  -4.782  -5.523  -3.738
  339    HA2  GLY  49          2HA       GLY  49  -3.041  -6.742  -5.544
  340    HA3  GLY  49          1HA       GLY  49  -2.717  -7.372  -3.929
  341    H    ASP  50           H        ASP  50  -3.523  -9.295  -5.269
  342    HA   ASP  50           HA       ASP  50  -6.430  -9.347  -5.239
  343    HB2  ASP  50          2HB       ASP  50  -5.188 -10.221  -7.224
  344    HB3  ASP  50          1HB       ASP  50  -4.506 -11.472  -6.186
  345    H    TYR  51           H        TYR  51  -7.471 -10.232  -3.592
  346    HA   TYR  51           HA       TYR  51  -5.828 -11.428  -1.544
  347    HB2  TYR  51          2HB       TYR  51  -7.541  -9.657  -0.974
  348    HB3  TYR  51          1HB       TYR  51  -8.790 -10.826  -1.393
  349    HD1  TYR  51          1HD       TYR  51  -6.382  -9.783   1.119
  350    HD2  TYR  51          2HD       TYR  51  -9.060 -12.895  -0.001
  351    HE1  TYR  51          1HE       TYR  51  -6.254 -10.703   3.382
  352    HE2  TYR  51          2HE       TYR  51  -8.932 -13.817   2.263
  353    HH   TYR  51           HH       TYR  51  -7.609 -12.134   4.864
  354    H    HIS  52           H        HIS  52  -5.462 -13.464  -1.699
  355    HA   HIS  52           HA       HIS  52  -7.693 -15.225  -2.014
  356    HB2  HIS  52          2HB       HIS  52  -6.303 -16.791  -3.459
  357    HB3  HIS  52          1HB       HIS  52  -6.811 -15.318  -4.259
  358    HD1  HIS  52          1HD       HIS  52  -3.838 -17.346  -3.525
  359    HD2  HIS  52          2HD       HIS  52  -4.658 -13.422  -4.605
  360    HE1  HIS  52          1HE       HIS  52  -1.667 -16.398  -4.376
  Start of MODEL    2
    1    H1   ALA   1           H        ALA   1  -3.046  -9.890 -10.736
    2    HA   ALA   1           HA       ALA   1  -5.121  -9.979 -12.502
    3    HB1  ALA   1          1HB       ALA   1  -6.332 -11.502 -11.016
    4    HB2  ALA   1          2HB       ALA   1  -7.172  -9.953 -11.090
    5    HB3  ALA   1          3HB       ALA   1  -6.181 -10.353  -9.690
    6    H    HIS   2           H        HIS   2  -6.875  -8.023 -11.563
    7    HA   HIS   2           HA       HIS   2  -5.098  -5.814 -11.123
    8    HB2  HIS   2          2HB       HIS   2  -8.138  -5.889 -11.101
    9    HB3  HIS   2          1HB       HIS   2  -7.180  -4.423 -10.968
   10    HD1  HIS   2          1HD       HIS   2  -6.115  -3.509 -13.203
   11    HD2  HIS   2          2HD       HIS   2  -8.312  -7.015 -13.604
   12    HE1  HIS   2          1HE       HIS   2  -6.476  -3.813 -15.659
   13    H    CYS   3           H        CYS   3  -5.166  -4.413  -9.267
   14    HA   CYS   3           HA       CYS   3  -5.400  -6.041  -6.867
   15    HB2  CYS   3          2HB       CYS   3  -4.084  -3.348  -7.142
   16    HB3  CYS   3          1HB       CYS   3  -3.827  -4.564  -5.898
   17    H    ASP   4           H        ASP   4  -7.720  -5.786  -6.627
   18    HA   ASP   4           HA       ASP   4  -8.463  -3.071  -5.763
   19    HB2  ASP   4          2HB       ASP   4 -10.254  -5.165  -7.012
   20    HB3  ASP   4          1HB       ASP   4 -10.815  -3.655  -6.315
   21    H    HIS   5           H        HIS   5  -7.527  -5.784  -4.501
   22    HA   HIS   5           HA       HIS   5  -9.631  -5.876  -2.460
   23    HB2  HIS   5          2HB       HIS   5  -9.023  -8.028  -3.613
   24    HB3  HIS   5          1HB       HIS   5  -7.404  -7.865  -2.957
   25    HD1  HIS   5          1HD       HIS   5  -7.167  -8.226  -0.315
   26    HD2  HIS   5          2HD       HIS   5 -10.920  -8.985  -1.906
   27    HE1  HIS   5          1HE       HIS   5  -8.405  -9.532   1.440
   28    H    PHE   6           H        PHE   6  -9.181  -4.645  -0.783
   29    HA   PHE   6           HA       PHE   6  -6.579  -3.699  -0.141
   30    HB2  PHE   6          2HB       PHE   6  -8.478  -2.318   0.406
   31    HB3  PHE   6          1HB       PHE   6  -9.231  -3.613   1.319
   32    HD1  PHE   6          1HD       PHE   6  -6.412  -1.154   1.354
   33    HD2  PHE   6          2HD       PHE   6  -8.771  -3.923   3.591
   34    HE1  PHE   6          1HE       PHE   6  -5.464  -0.293   3.438
   35    HE2  PHE   6          2HE       PHE   6  -7.808  -3.050   5.679
   36    HZ   PHE   6           HZ       PHE   6  -6.154  -1.231   5.600
   37    H    LEU   7           H        LEU   7  -5.062  -4.706   0.960
   38    HA   LEU   7           HA       LEU   7  -5.729  -7.191   2.345
   39    HB2  LEU   7          2HB       LEU   7  -3.053  -6.042   1.571
   40    HB3  LEU   7          1HB       LEU   7  -3.306  -7.603   2.324
   41    HG   LEU   7           HG       LEU   7  -4.259  -6.809  -0.429
   42   HD11  LEU   7          1HD1      LEU   7  -1.879  -7.045  -0.345
   43   HD12  LEU   7          2HD1      LEU   7  -2.578  -8.437  -1.180
   44   HD13  LEU   7          3HD1      LEU   7  -2.020  -8.591   0.484
   45   HD21  LEU   7          1HD2      LEU   7  -4.355  -9.464   0.988
   46   HD22  LEU   7          2HD2      LEU   7  -4.843  -9.155  -0.678
   47   HD23  LEU   7          3HD2      LEU   7  -5.738  -8.426   0.655
   48    H    GLY   8           H        GLY   8  -3.902  -4.185   2.873
   49    HA2  GLY   8          2HA       GLY   8  -4.701  -3.955   5.552
   50    HA3  GLY   8          1HA       GLY   8  -3.122  -4.703   5.456
   51    H    GLU   9           H        GLU   9  -2.931  -2.489   6.689
   52    HA   GLU   9           HA       GLU   9  -2.087  -0.524   4.704
   53    HB2  GLU   9          2HB       GLU   9  -2.375   1.211   6.507
   54    HB3  GLU   9          1HB       GLU   9  -3.868   0.452   5.984
   55    HG2  GLU   9          2HG       GLU   9  -3.918  -0.910   7.958
   56    HG3  GLU   9          1HG       GLU   9  -2.358  -0.273   8.479
   57    H    ALA  10           H        ALA  10  -0.043  -0.016   4.622
   58    HA   ALA  10           HA       ALA  10   1.719  -1.109   6.688
   59    HB1  ALA  10          1HB       ALA  10   3.434  -1.238   4.947
   60    HB2  ALA  10          2HB       ALA  10   2.305  -0.558   3.776
   61    HB3  ALA  10          3HB       ALA  10   1.993  -2.143   4.483
   62    HA   PRO  11           HA       PRO  11   2.995   3.085   7.447
   63    HB2  PRO  11          2HB       PRO  11   5.269   2.560   8.847
   64    HB3  PRO  11          1HB       PRO  11   3.657   2.355   9.546
   65    HG2  PRO  11          2HG       PRO  11   5.526   0.304   8.442
   66    HG3  PRO  11          1HG       PRO  11   4.464   0.208   9.856
   67    HD2  PRO  11          2HD       PRO  11   3.882  -0.908   7.427
   68    HD3  PRO  11          1HD       PRO  11   2.654  -0.400   8.603
   69    H    VAL  12           H        VAL  12   3.614   4.004   5.541
   70    HA   VAL  12           HA       VAL  12   6.341   3.453   4.617
   71    HB   VAL  12           HB       VAL  12   3.972   4.211   2.865
   72   HG11  VAL  12          1HG1      VAL  12   5.493   3.859   0.974
   73   HG12  VAL  12          2HG1      VAL  12   6.810   3.532   2.097
   74   HG13  VAL  12          3HG1      VAL  12   6.083   5.136   2.043
   75   HG21  VAL  12          1HG2      VAL  12   4.185   1.979   1.889
   76   HG22  VAL  12          2HG2      VAL  12   3.842   1.880   3.619
   77   HG23  VAL  12          3HG2      VAL  12   5.480   1.605   3.025
   78    H    TYR  13           H        TYR  13   7.412   5.116   5.448
   79    HA   TYR  13           HA       TYR  13   6.598   7.741   4.551
   80    HB2  TYR  13          2HB       TYR  13   5.906   7.628   6.901
   81    HB3  TYR  13          1HB       TYR  13   7.512   7.081   7.369
   82    HD1  TYR  13          1HD       TYR  13   9.120   8.630   8.007
   83    HD2  TYR  13          2HD       TYR  13   5.751   9.967   5.783
   84    HE1  TYR  13          1HE       TYR  13   9.866  10.924   8.286
   85    HE2  TYR  13          2HE       TYR  13   6.482  12.288   6.060
   86    HH   TYR  13           HH       TYR  13   7.925  13.644   7.526
   87    HA   PRO  14           HA       PRO  14   7.353   9.509   3.866
   88    HB2  PRO  14          2HB       PRO  14   8.741   9.892   1.350
   89    HB3  PRO  14          1HB       PRO  14   8.545  11.030   2.682
   90    HG2  PRO  14          2HG       PRO  14  10.939   9.931   2.009
   91    HG3  PRO  14          1HG       PRO  14  10.524  10.437   3.656
   92    HD2  PRO  14          2HD       PRO  14  10.484   7.698   2.451
   93    HD3  PRO  14          1HD       PRO  14  11.077   8.212   4.045
   94    H    CYS  15           H        CYS  15   5.594   9.345   2.558
   95    HA   CYS  15           HA       CYS  15   5.097   6.900   1.253
   96    HB2  CYS  15          2HB       CYS  15   3.228   8.044   2.210
   97    HB3  CYS  15          1HB       CYS  15   3.569   9.502   1.279
   98    H    LYS  16           H        LYS  16   5.739   6.313  -0.643
   99    HA   LYS  16           HA       LYS  16   5.776   8.211  -2.833
  100    HB2  LYS  16          2HB       LYS  16   8.085   7.506  -1.604
  101    HB3  LYS  16          1HB       LYS  16   7.929   6.168  -2.732
  102    HG2  LYS  16          2HG       LYS  16   9.298   7.828  -3.734
  103    HG3  LYS  16          1HG       LYS  16   7.732   7.866  -4.560
  104    HD2  LYS  16          2HD       LYS  16   7.041   9.757  -3.174
  105    HD3  LYS  16          1HD       LYS  16   8.579   9.707  -2.329
  106    HE2  LYS  16          2HE       LYS  16   9.759  10.236  -4.407
  107    HE3  LYS  16          1HE       LYS  16   8.231  10.246  -5.281
  108    HZ1  LYS  16          1HZ       LYS  16   7.517  12.113  -3.904
  109    HZ2  LYS  16          2HZ       LYS  16   8.924  12.473  -4.734
  110    HZ3  LYS  16          3HZ       LYS  16   8.998  12.118  -3.099
  111    H    GLU  17           H        GLU  17   5.071   7.191  -4.624
  112    HA   GLU  17           HA       GLU  17   3.396   4.980  -4.379
  113    HB2  GLU  17          2HB       GLU  17   4.625   5.853  -7.004
  114    HB3  GLU  17          1HB       GLU  17   3.121   4.994  -6.776
  115    HG2  GLU  17          2HG       GLU  17   2.475   7.171  -7.281
  116    HG3  GLU  17          1HG       GLU  17   2.313   7.075  -5.528
  117    H    LYS  18           H        LYS  18   6.604   5.122  -5.848
  118    HA   LYS  18           HA       LYS  18   6.866   2.386  -6.431
  119    HB2  LYS  18          2HB       LYS  18   8.395   4.042  -7.368
  120    HB3  LYS  18          1HB       LYS  18   9.011   4.413  -5.762
  121    HG2  LYS  18          2HG       LYS  18   9.829   2.090  -5.580
  122    HG3  LYS  18          1HG       LYS  18   9.300   1.804  -7.235
  123    HD2  LYS  18          2HD       LYS  18  10.831   3.512  -8.032
  124    HD3  LYS  18          1HD       LYS  18  11.330   3.861  -6.373
  125    HE2  LYS  18          2HE       LYS  18  12.127   1.557  -6.140
  126    HE3  LYS  18          1HE       LYS  18  11.648   1.230  -7.801
  127    HZ1  LYS  18          1HZ       LYS  18  13.717   3.184  -6.942
  128    HZ2  LYS  18          2HZ       LYS  18  13.235   2.909  -8.532
  129    HZ3  LYS  18          3HZ       LYS  18  13.986   1.678  -7.661
  130    H    ALA  19           H        ALA  19   7.755   4.250  -3.566
  131    HA   ALA  19           HA       ALA  19   9.003   2.185  -2.128
  132    HB1  ALA  19          1HB       ALA  19   7.507   4.576  -1.043
  133    HB2  ALA  19          2HB       ALA  19   9.215   4.546  -1.484
  134    HB3  ALA  19          3HB       ALA  19   8.634   3.570  -0.136
  135    H    CYS  20           H        CYS  20   5.683   3.346  -2.152
  136    HA   CYS  20           HA       CYS  20   4.547   1.606  -0.355
  137    HB2  CYS  20          2HB       CYS  20   3.584   3.166  -2.659
  138    HB3  CYS  20          1HB       CYS  20   2.541   1.863  -2.108
  139    H    LYS  21           H        LYS  21   4.889   1.138  -3.872
  140    HA   LYS  21           HA       LYS  21   3.672  -1.372  -3.902
  141    HB2  LYS  21          2HB       LYS  21   4.043  -0.022  -5.922
  142    HB3  LYS  21          1HB       LYS  21   5.774  -0.283  -5.786
  143    HG2  LYS  21          2HG       LYS  21   5.460  -2.676  -6.150
  144    HG3  LYS  21          1HG       LYS  21   3.716  -2.443  -6.261
  145    HD2  LYS  21          2HD       LYS  21   5.749  -1.177  -8.107
  146    HD3  LYS  21          1HD       LYS  21   4.854  -2.648  -8.472
  147    HE2  LYS  21          2HE       LYS  21   3.569   0.033  -7.903
  148    HE3  LYS  21          1HE       LYS  21   3.912  -0.589  -9.508
  149    HZ1  LYS  21          1HZ       LYS  21   2.400  -2.365  -9.183
  150    HZ2  LYS  21          2HZ       LYS  21   1.581  -0.970  -8.741
  151    HZ3  LYS  21          3HZ       LYS  21   2.169  -2.022  -7.565
  152    H    SER  22           H        SER  22   7.033  -0.456  -3.321
  153    HA   SER  22           HA       SER  22   7.982  -3.136  -3.325
  154    HB2  SER  22          2HB       SER  22   9.427  -1.123  -3.744
  155    HB3  SER  22          1HB       SER  22   9.277  -0.719  -2.037
  156    HG   SER  22           HG       SER  22  10.338  -2.667  -1.517
  157    H    VAL  23           H        VAL  23   7.219  -0.834  -0.676
  158    HA   VAL  23           HA       VAL  23   7.826  -2.585   1.426
  159    HB   VAL  23           HB       VAL  23   5.905  -0.221   1.415
  160   HG11  VAL  23          1HG1      VAL  23   7.134  -1.681   3.756
  161   HG12  VAL  23          2HG1      VAL  23   5.427  -1.683   3.313
  162   HG13  VAL  23          3HG1      VAL  23   6.196  -0.195   3.866
  163   HG21  VAL  23          1HG2      VAL  23   7.760   0.998   2.444
  164   HG22  VAL  23          2HG2      VAL  23   8.195   0.384   0.848
  165   HG23  VAL  23          3HG2      VAL  23   8.779  -0.433   2.299
  166    H    CYS  24           H        CYS  24   4.822  -2.049  -0.350
  167    HA   CYS  24           HA       CYS  24   3.252  -3.708   1.222
  168    HB2  CYS  24          2HB       CYS  24   2.997  -2.948  -1.680
  169    HB3  CYS  24          1HB       CYS  24   1.811  -3.945  -0.845
  170    H    LYS  25           H        LYS  25   5.433  -4.563  -1.453
  171    HA   LYS  25           HA       LYS  25   4.668  -7.302  -1.649
  172    HB2  LYS  25          2HB       LYS  25   7.335  -5.991  -2.183
  173    HB3  LYS  25          1HB       LYS  25   6.919  -7.628  -2.645
  174    HG2  LYS  25          2HG       LYS  25   5.225  -6.769  -4.162
  175    HG3  LYS  25          1HG       LYS  25   5.619  -5.121  -3.663
  176    HD2  LYS  25          2HD       LYS  25   7.915  -5.422  -4.452
  177    HD3  LYS  25          1HD       LYS  25   7.528  -7.067  -4.950
  178    HE2  LYS  25          2HE       LYS  25   5.905  -6.224  -6.537
  179    HE3  LYS  25          1HE       LYS  25   6.227  -4.571  -6.012
  180    HZ1  LYS  25          1HZ       LYS  25   8.200  -6.384  -7.303
  181    HZ2  LYS  25          2HZ       LYS  25   8.512  -4.826  -6.804
  182    HZ3  LYS  25          3HZ       LYS  25   7.413  -5.102  -8.049
  183    H    GLU  26           H        GLU  26   6.858  -5.509   0.314
  184    HA   GLU  26           HA       GLU  26   8.211  -7.696   1.490
  185    HB2  GLU  26          2HB       GLU  26   8.033  -4.773   2.188
  186    HB3  GLU  26          1HB       GLU  26   9.074  -5.910   3.045
  187    HG2  GLU  26          2HG       GLU  26  10.384  -6.330   1.147
  188    HG3  GLU  26          1HG       GLU  26   9.186  -5.626   0.071
  189    H    HIS  27           H        HIS  27   5.423  -5.802   2.416
  190    HA   HIS  27           HA       HIS  27   5.204  -7.272   4.890
  191    HB2  HIS  27          2HB       HIS  27   3.497  -5.112   3.676
  192    HB3  HIS  27          1HB       HIS  27   2.938  -6.038   5.062
  193    HD1  HIS  27          1HD       HIS  27   3.609  -5.114   7.298
  194    HD2  HIS  27          2HD       HIS  27   6.027  -3.757   4.215
  195    HE1  HIS  27          1HE       HIS  27   5.196  -3.472   8.355
  196    H    TYR  28           H        TYR  28   3.461  -7.243   1.784
  197    HA   TYR  28           HA       TYR  28   2.157  -9.738   2.641
  198    HB2  TYR  28          2HB       TYR  28   0.978  -7.667   0.797
  199    HB3  TYR  28          1HB       TYR  28   0.160  -9.073   1.453
  200    HD1  TYR  28          1HD       TYR  28   1.314  -5.663   2.106
  201    HD2  TYR  28          2HD       TYR  28  -0.757  -9.000   3.753
  202    HE1  TYR  28          1HE       TYR  28   0.471  -4.240   3.906
  203    HE2  TYR  28          2HE       TYR  28  -1.609  -7.554   5.567
  204    HH   TYR  28           HH       TYR  28  -1.013  -5.471   6.698
  205    H    HIS  29           H        HIS  29   2.460 -11.364   1.193
  206    HA   HIS  29           HA       HIS  29   4.223 -10.968  -1.034
  207    HB2  HIS  29          2HB       HIS  29   2.686 -13.403  -0.121
  208    HB3  HIS  29          1HB       HIS  29   3.813 -13.423  -1.466
  209    HD1  HIS  29          1HD       HIS  29   3.781 -14.583   1.798
  210    HD2  HIS  29          2HD       HIS  29   6.416 -12.125  -0.276
  211    HE1  HIS  29          1HE       HIS  29   5.965 -14.713   3.033
  212    H    HIS  30           H        HIS  30   0.875 -10.987  -0.584
  213    HA   HIS  30           HA       HIS  30   0.299 -11.459  -3.404
  214    HB2  HIS  30          2HB       HIS  30  -1.593 -11.004  -1.086
  215    HB3  HIS  30          1HB       HIS  30  -2.074 -11.403  -2.730
  216    HD1  HIS  30          1HD       HIS  30  -1.069 -12.965   0.465
  217    HD2  HIS  30          2HD       HIS  30  -1.272 -14.048  -3.535
  218    HE1  HIS  30          1HE       HIS  30  -0.907 -15.445   0.420
  219    H    ALA  31           H        ALA  31   1.236  -8.830  -1.657
  220    HA   ALA  31           HA       ALA  31  -0.758  -6.995  -2.686
  221    HB1  ALA  31          1HB       ALA  31   1.720  -6.400  -1.078
  222    HB2  ALA  31          2HB       ALA  31   0.063  -6.557  -0.455
  223    HB3  ALA  31          3HB       ALA  31   0.472  -5.251  -1.551
  224    H    CYS  32           H        CYS  32  -0.638  -5.929  -4.418
  225    HA   CYS  32           HA       CYS  32   1.888  -5.839  -5.909
  226    HB2  CYS  32          2HB       CYS  32   0.209  -5.629  -7.874
  227    HB3  CYS  32          1HB       CYS  32   0.475  -7.209  -7.137
  228    H    LYS  33           H        LYS  33  -0.809  -4.018  -4.673
  229    HA   LYS  33           HA       LYS  33   0.284  -1.628  -5.966
  230    HB2  LYS  33          2HB       LYS  33  -1.750  -2.269  -7.080
  231    HB3  LYS  33          1HB       LYS  33  -2.585  -2.431  -5.554
  232    HG2  LYS  33          2HG       LYS  33  -2.567  -0.045  -5.238
  233    HG3  LYS  33          1HG       LYS  33  -1.553   0.173  -6.665
  234    HD2  LYS  33          2HD       LYS  33  -3.304  -0.744  -8.081
  235    HD3  LYS  33          1HD       LYS  33  -4.317  -1.035  -6.670
  236    HE2  LYS  33          2HE       LYS  33  -3.338   1.684  -7.515
  237    HE3  LYS  33          1HE       LYS  33  -4.900   1.013  -7.974
  238    HZ1  LYS  33          1HZ       LYS  33  -4.024   1.427  -5.165
  239    HZ2  LYS  33          2HZ       LYS  33  -5.563   0.955  -5.706
  240    HZ3  LYS  33          3HZ       LYS  33  -4.995   2.494  -6.022
  241    H    GLY  34           H        GLY  34   0.610   0.082  -4.678
  242    HA2  GLY  34          2HA       GLY  34  -0.464  -0.029  -1.945
  243    HA3  GLY  34          1HA       GLY  34   1.209   0.431  -2.262
  244    H    GLU  35           H        GLU  35  -1.300   1.870  -1.225
  245    HA   GLU  35           HA       GLU  35  -0.994   4.310  -2.844
  246    HB2  GLU  35          2HB       GLU  35  -2.843   2.828  -3.714
  247    HB3  GLU  35          1HB       GLU  35  -3.596   3.043  -2.139
  248    HG2  GLU  35          2HG       GLU  35  -3.904   5.370  -2.550
  249    HG3  GLU  35          1HG       GLU  35  -3.065   5.229  -4.106
  250    H    CYS  36           H        CYS  36  -1.035   6.073  -1.472
  251    HA   CYS  36           HA       CYS  36  -1.457   5.555   1.371
  252    HB2  CYS  36          2HB       CYS  36  -0.306   7.938  -0.060
  253    HB3  CYS  36          1HB       CYS  36  -0.456   7.784   1.683
  254    H    GLU  37           H        GLU  37  -3.007   6.456   2.583
  255    HA   GLU  37           HA       GLU  37  -4.649   8.522   1.369
  256    HB2  GLU  37          2HB       GLU  37  -5.768   6.063   2.725
  257    HB3  GLU  37          1HB       GLU  37  -6.708   7.494   2.341
  258    HG2  GLU  37          2HG       GLU  37  -6.092   7.114  -0.072
  259    HG3  GLU  37          1HG       GLU  37  -5.429   5.561   0.433
  260    H    TYR  38           H        TYR  38  -5.168  10.087   2.676
  261    HA   TYR  38           HA       TYR  38  -3.937  10.043   5.290
  262    HB2  TYR  38          2HB       TYR  38  -5.150  12.287   3.659
  263    HB3  TYR  38          1HB       TYR  38  -4.501  12.497   5.280
  264    HD1  TYR  38          1HD       TYR  38  -2.200  12.846   5.606
  265    HD2  TYR  38          2HD       TYR  38  -3.583  11.478   1.818
  266    HE1  TYR  38          1HE       TYR  38   0.038  13.158   4.683
  267    HE2  TYR  38          2HE       TYR  38  -1.345  11.785   0.884
  268    HH   TYR  38           HH       TYR  38   1.382  12.376   2.879
  269    H    HIS  39           H        HIS  39  -4.985  10.081   7.120
  270    HA   HIS  39           HA       HIS  39  -7.878  10.445   7.078
  271    HB2  HIS  39          2HB       HIS  39  -7.106   8.002   7.413
  272    HB3  HIS  39          1HB       HIS  39  -6.427   8.543   8.940
  273    HD1  HIS  39          1HD       HIS  39  -9.688   7.795   7.260
  274    HD2  HIS  39          2HD       HIS  39  -8.284   9.103  10.948
  275    HE1  HIS  39          1HE       HIS  39 -11.642   7.653   8.831
  276    H    GLY  40           H        GLY  40  -7.689  12.517   7.698
  277    HA2  GLY  40          2HA       GLY  40  -7.490  14.237   9.234
  278    HA3  GLY  40          1HA       GLY  40  -6.767  13.095  10.372
  279    H    ARG  41           H        ARG  41  -4.674  13.380  10.752
  280    HA   ARG  41           HA       ARG  41  -3.070  14.875   8.798
  281    HB2  ARG  41          2HB       ARG  41  -3.054  15.480  11.258
  282    HB3  ARG  41          1HB       ARG  41  -2.266  13.936  11.557
  283    HG2  ARG  41          2HG       ARG  41  -0.506  14.718   9.869
  284    HG3  ARG  41          1HG       ARG  41  -1.211  16.318  10.079
  285    HD2  ARG  41          2HD       ARG  41   0.615  16.168  11.588
  286    HD3  ARG  41          1HD       ARG  41  -0.860  16.021  12.545
  287    HE   ARG  41           HE       ARG  41  -0.137  13.439  11.920
  288   HH11  ARG  41          1HH1      ARG  41   1.338  16.093  13.758
  289   HH12  ARG  41          2HH1      ARG  41   2.311  15.071  14.684
  290   HH21  ARG  41          1HH2      ARG  41   1.154  12.091  13.128
  291   HH22  ARG  41          2HH2      ARG  41   2.237  12.701  14.324
  292    H    GLU  42           H        GLU  42  -3.462  11.797  10.327
  293    HA   GLU  42           HA       GLU  42  -0.901  10.744   9.642
  294    HB2  GLU  42          2HB       GLU  42  -3.379   9.444  10.738
  295    HB3  GLU  42          1HB       GLU  42  -1.802   8.675  10.607
  296    HG2  GLU  42          2HG       GLU  42  -2.365  11.149  12.222
  297    HG3  GLU  42          1HG       GLU  42  -2.279   9.514  12.874
  298    H    VAL  43           H        VAL  43  -0.491   8.977   8.263
  299    HA   VAL  43           HA       VAL  43  -2.480   8.354   6.264
  300    HB   VAL  43           HB       VAL  43  -1.410  10.364   5.334
  301   HG11  VAL  43          1HG1      VAL  43   0.735  10.277   6.475
  302   HG12  VAL  43          2HG1      VAL  43   0.946  10.384   4.715
  303   HG13  VAL  43          3HG1      VAL  43   1.155   8.836   5.536
  304   HG21  VAL  43          1HG2      VAL  43  -0.635   9.462   3.192
  305   HG22  VAL  43          2HG2      VAL  43  -2.092   8.642   3.763
  306   HG23  VAL  43          3HG2      VAL  43  -0.518   7.859   3.921
  307    H    HIS  44           H        HIS  44  -2.296   6.328   5.611
  308    HA   HIS  44           HA       HIS  44   0.283   5.018   5.890
  309    HB2  HIS  44          2HB       HIS  44  -2.346   4.003   6.883
  310    HB3  HIS  44          1HB       HIS  44  -1.232   2.852   6.149
  311    HD1  HIS  44          1HD       HIS  44  -1.896   2.584   9.170
  312    HD2  HIS  44          2HD       HIS  44   1.322   4.731   7.631
  313    HE1  HIS  44          1HE       HIS  44  -0.154   2.641  10.983
  314    H    CYS  45           H        CYS  45   0.528   3.150   4.493
  315    HA   CYS  45           HA       CYS  45  -0.684   3.827   1.954
  316    HB2  CYS  45          2HB       CYS  45   1.798   3.763   2.145
  317    HB3  CYS  45          1HB       CYS  45   1.681   2.058   2.577
  318    H    HIS  46           H        HIS  46  -2.265   2.623   1.282
  319    HA   HIS  46           HA       HIS  46  -2.909   0.219   2.699
  320    HB2  HIS  46          2HB       HIS  46  -4.382   1.805   0.576
  321    HB3  HIS  46          1HB       HIS  46  -5.035   0.410   1.426
  322    HD1  HIS  46          1HD       HIS  46  -6.355   3.331   1.621
  323    HD2  HIS  46          2HD       HIS  46  -3.716   1.655   4.366
  324    HE1  HIS  46          1HE       HIS  46  -6.799   4.476   3.806
  325    H    CYS  47           H        CYS  47  -2.391  -1.657   1.968
  326    HA   CYS  47           HA       CYS  47  -1.234  -1.874  -0.688
  327    HB2  CYS  47          2HB       CYS  47  -1.181  -3.768   1.656
  328    HB3  CYS  47          1HB       CYS  47  -0.306  -3.980   0.143
  329    H    TYR  48           H        TYR  48  -2.252  -2.837  -2.234
  330    HA   TYR  48           HA       TYR  48  -4.673  -4.414  -1.644
  331    HB2  TYR  48          2HB       TYR  48  -4.024  -2.999  -4.236
  332    HB3  TYR  48          1HB       TYR  48  -5.549  -3.724  -3.765
  333    HD1  TYR  48          1HD       TYR  48  -7.119  -2.489  -2.350
  334    HD2  TYR  48          2HD       TYR  48  -3.318  -0.881  -3.355
  335    HE1  TYR  48          1HE       TYR  48  -7.850  -0.272  -1.586
  336    HE2  TYR  48          2HE       TYR  48  -4.017   1.299  -2.607
  337    HH   TYR  48           HH       TYR  48  -6.123   2.591  -2.270
  338    H    GLY  49           H        GLY  49  -4.924  -6.289  -2.850
  339    HA2  GLY  49          2HA       GLY  49  -2.902  -7.066  -4.751
  340    HA3  GLY  49          1HA       GLY  49  -2.915  -7.998  -3.256
  341    H    ASP  50           H        ASP  50  -3.400  -9.698  -4.975
  342    HA   ASP  50           HA       ASP  50  -6.256 -10.044  -4.885
  343    HB2  ASP  50          2HB       ASP  50  -6.379 -10.871  -7.153
  344    HB3  ASP  50          1HB       ASP  50  -5.832  -9.203  -7.167
  345    H    TYR  51           H        TYR  51  -6.905 -12.239  -4.961
  346    HA   TYR  51           HA       TYR  51  -4.726 -14.041  -4.202
  347    HB2  TYR  51          2HB       TYR  51  -7.600 -14.014  -3.303
  348    HB3  TYR  51          1HB       TYR  51  -6.513 -15.359  -3.017
  349    HD1  TYR  51          1HD       TYR  51  -7.575 -12.093  -1.936
  350    HD2  TYR  51          2HD       TYR  51  -4.505 -15.011  -1.556
  351    HE1  TYR  51          1HE       TYR  51  -6.831 -11.036   0.130
  352    HE2  TYR  51          2HE       TYR  51  -3.748 -13.960   0.515
  353    HH   TYR  51           HH       TYR  51  -5.610 -11.661   2.138
  354    H    HIS  52           H        HIS  52  -4.255 -15.437  -5.631
  355    HA   HIS  52           HA       HIS  52  -4.289 -17.029  -7.181
  356    HB2  HIS  52          2HB       HIS  52  -6.956 -17.705  -5.916
  357    HB3  HIS  52          1HB       HIS  52  -6.001 -18.782  -6.932
  358    HD1  HIS  52          1HD       HIS  52  -3.785 -19.751  -5.858
  359    HD2  HIS  52          2HD       HIS  52  -6.144 -17.481  -3.304
  360    HE1  HIS  52          1HE       HIS  52  -2.876 -20.141  -3.537
  Start of MODEL    3
    1    H1   ALA   1           H        ALA   1  -6.586 -11.720  -8.302
    2    HA   ALA   1           HA       ALA   1  -6.386 -12.051 -11.202
    3    HB1  ALA   1          1HB       ALA   1  -8.748 -11.228  -9.506
    4    HB2  ALA   1          2HB       ALA   1  -8.410 -12.862 -10.073
    5    HB3  ALA   1          3HB       ALA   1  -8.786 -11.588 -11.232
    6    H    HIS   2           H        HIS   2  -7.928  -9.359  -9.328
    7    HA   HIS   2           HA       HIS   2  -6.298  -7.586 -10.974
    8    HB2  HIS   2          2HB       HIS   2  -8.684  -7.598 -11.710
    9    HB3  HIS   2          1HB       HIS   2  -9.158  -7.087 -10.094
   10    HD1  HIS   2          1HD       HIS   2  -9.269  -4.639  -9.724
   11    HD2  HIS   2          2HD       HIS   2  -6.994  -5.626 -13.042
   12    HE1  HIS   2          1HE       HIS   2  -8.640  -2.438 -10.813
   13    H    CYS   3           H        CYS   3  -5.552  -5.682  -9.967
   14    HA   CYS   3           HA       CYS   3  -5.222  -5.999  -7.120
   15    HB2  CYS   3          2HB       CYS   3  -4.014  -3.994  -9.009
   16    HB3  CYS   3          1HB       CYS   3  -3.590  -4.173  -7.311
   17    H    ASP   4           H        ASP   4  -7.594  -5.509  -6.851
   18    HA   ASP   4           HA       ASP   4  -7.644  -2.745  -5.957
   19    HB2  ASP   4          2HB       ASP   4  -9.818  -2.216  -6.833
   20    HB3  ASP   4          1HB       ASP   4  -8.816  -2.759  -8.167
   21    H    HIS   5           H        HIS   5  -7.565  -5.600  -4.958
   22    HA   HIS   5           HA       HIS   5  -9.746  -5.355  -3.008
   23    HB2  HIS   5          2HB       HIS   5  -9.530  -7.545  -4.291
   24    HB3  HIS   5          1HB       HIS   5  -7.960  -7.759  -3.532
   25    HD1  HIS   5          1HD       HIS   5 -11.550  -8.378  -3.010
   26    HD2  HIS   5          2HD       HIS   5  -8.139  -8.118  -0.650
   27    HE1  HIS   5          1HE       HIS   5 -12.114  -9.506  -0.836
   28    H    PHE   6           H        PHE   6  -9.214  -5.086  -0.871
   29    HA   PHE   6           HA       PHE   6  -6.555  -4.077  -0.384
   30    HB2  PHE   6          2HB       PHE   6  -8.935  -4.304   1.470
   31    HB3  PHE   6          1HB       PHE   6  -7.435  -3.473   1.831
   32    HD1  PHE   6          1HD       PHE   6 -10.549  -3.370  -0.090
   33    HD2  PHE   6          2HD       PHE   6  -6.970  -1.299   0.907
   34    HE1  PHE   6          1HE       PHE   6 -11.505  -1.297  -0.981
   35    HE2  PHE   6          2HE       PHE   6  -7.921   0.776   0.016
   36    HZ   PHE   6           HZ       PHE   6 -10.201   0.782  -0.933
   37    H    LEU   7           H        LEU   7  -4.979  -5.240   0.455
   38    HA   LEU   7           HA       LEU   7  -5.496  -7.851   1.628
   39    HB2  LEU   7          2HB       LEU   7  -2.914  -6.296   1.401
   40    HB3  LEU   7          1HB       LEU   7  -3.063  -7.980   1.847
   41    HG   LEU   7           HG       LEU   7  -3.678  -6.813  -0.868
   42   HD11  LEU   7          1HD1      LEU   7  -1.417  -8.512   0.132
   43   HD12  LEU   7          2HD1      LEU   7  -1.316  -6.821  -0.355
   44   HD13  LEU   7          3HD1      LEU   7  -1.662  -8.065  -1.549
   45   HD21  LEU   7          1HD2      LEU   7  -3.654  -9.676   0.083
   46   HD22  LEU   7          2HD2      LEU   7  -3.875  -9.150  -1.583
   47   HD23  LEU   7          3HD2      LEU   7  -5.086  -8.752  -0.366
   48    H    GLY   8           H        GLY   8  -4.287  -4.674   2.503
   49    HA2  GLY   8          2HA       GLY   8  -5.361  -4.514   5.015
   50    HA3  GLY   8          1HA       GLY   8  -3.759  -5.230   5.189
   51    H    GLU   9           H        GLU   9  -3.526  -3.112   6.371
   52    HA   GLU   9           HA       GLU   9  -2.653  -1.107   4.442
   53    HB2  GLU   9          2HB       GLU   9  -2.993   0.585   6.205
   54    HB3  GLU   9          1HB       GLU   9  -4.479  -0.243   5.775
   55    HG2  GLU   9          2HG       GLU   9  -4.243  -1.646   7.784
   56    HG3  GLU   9          1HG       GLU   9  -2.802  -0.728   8.222
   57    H    ALA  10           H        ALA  10  -0.731  -0.057   4.825
   58    HA   ALA  10           HA       ALA  10   1.045  -1.155   6.873
   59    HB1  ALA  10          1HB       ALA  10   2.838  -1.392   5.213
   60    HB2  ALA  10          2HB       ALA  10   1.711  -0.940   3.932
   61    HB3  ALA  10          3HB       ALA  10   1.471  -2.439   4.831
   62    HA   PRO  11           HA       PRO  11   1.959   3.228   6.983
   63    HB2  PRO  11          2HB       PRO  11   4.044   3.160   8.717
   64    HB3  PRO  11          1HB       PRO  11   2.373   2.928   9.245
   65    HG2  PRO  11          2HG       PRO  11   4.506   0.899   8.754
   66    HG3  PRO  11          1HG       PRO  11   3.289   0.953  10.042
   67    HD2  PRO  11          2HD       PRO  11   3.104  -0.614   7.799
   68    HD3  PRO  11          1HD       PRO  11   1.705  -0.048   8.728
   69    H    VAL  12           H        VAL  12   3.361   4.596   5.870
   70    HA   VAL  12           HA       VAL  12   5.892   3.514   4.881
   71    HB   VAL  12           HB       VAL  12   4.107   3.131   3.122
   72   HG11  VAL  12          1HG1      VAL  12   2.712   5.045   3.512
   73   HG12  VAL  12          2HG1      VAL  12   3.279   5.041   1.843
   74   HG13  VAL  12          3HG1      VAL  12   4.011   6.133   3.021
   75   HG21  VAL  12          1HG2      VAL  12   5.416   4.059   1.239
   76   HG22  VAL  12          2HG2      VAL  12   6.438   3.285   2.448
   77   HG23  VAL  12          3HG2      VAL  12   6.327   5.043   2.384
   78    H    TYR  13           H        TYR  13   7.440   5.163   4.476
   79    HA   TYR  13           HA       TYR  13   6.597   7.888   4.372
   80    HB2  TYR  13          2HB       TYR  13   6.865   7.166   6.880
   81    HB3  TYR  13          1HB       TYR  13   8.588   7.209   6.531
   82    HD1  TYR  13          1HD       TYR  13   9.401   9.486   5.375
   83    HD2  TYR  13          2HD       TYR  13   5.868   9.053   7.697
   84    HE1  TYR  13          1HE       TYR  13   9.404  11.892   5.813
   85    HE2  TYR  13          2HE       TYR  13   5.853  11.454   8.139
   86    HH   TYR  13           HH       TYR  13   7.689  13.622   6.410
   87    HA   PRO  14           HA       PRO  14   7.150   9.486   3.411
   88    HB2  PRO  14          2HB       PRO  14   8.141  10.338   0.866
   89    HB3  PRO  14          1HB       PRO  14   8.337  11.151   2.419
   90    HG2  PRO  14          2HG       PRO  14  10.401  10.014   0.967
   91    HG3  PRO  14          1HG       PRO  14  10.451  10.331   2.711
   92    HD2  PRO  14          2HD       PRO  14   9.876   7.786   1.246
   93    HD3  PRO  14          1HD       PRO  14  10.830   8.046   2.723
   94    H    CYS  15           H        CYS  15   5.499   9.971   1.738
   95    HA   CYS  15           HA       CYS  15   4.594   7.548   0.558
   96    HB2  CYS  15          2HB       CYS  15   2.829   8.746   1.455
   97    HB3  CYS  15          1HB       CYS  15   3.392  10.275   0.791
   98    H    LYS  16           H        LYS  16   5.895   6.963  -0.971
   99    HA   LYS  16           HA       LYS  16   5.365   8.242  -3.551
  100    HB2  LYS  16          2HB       LYS  16   7.921   6.953  -2.577
  101    HB3  LYS  16          1HB       LYS  16   7.495   6.828  -4.270
  102    HG2  LYS  16          2HG       LYS  16   9.035   8.626  -4.020
  103    HG3  LYS  16          1HG       LYS  16   7.457   9.318  -4.371
  104    HD2  LYS  16          2HD       LYS  16   7.140   9.741  -2.007
  105    HD3  LYS  16          1HD       LYS  16   8.759   9.120  -1.662
  106    HE2  LYS  16          2HE       LYS  16   8.062  11.535  -3.356
  107    HE3  LYS  16          1HE       LYS  16   8.815  11.563  -1.764
  108    HZ1  LYS  16          1HZ       LYS  16  10.748  10.404  -2.754
  109    HZ2  LYS  16          2HZ       LYS  16  10.472  11.886  -3.483
  110    HZ3  LYS  16          3HZ       LYS  16  10.028  10.478  -4.263
  111    H    GLU  17           H        GLU  17   4.586   6.821  -5.056
  112    HA   GLU  17           HA       GLU  17   3.190   4.591  -4.129
  113    HB2  GLU  17          2HB       GLU  17   3.980   5.317  -6.924
  114    HB3  GLU  17          1HB       GLU  17   3.060   3.869  -6.562
  115    HG2  GLU  17          2HG       GLU  17   1.414   5.331  -5.423
  116    HG3  GLU  17          1HG       GLU  17   2.270   6.715  -6.105
  117    H    LYS  18           H        LYS  18   6.227   4.695  -5.812
  118    HA   LYS  18           HA       LYS  18   6.595   1.924  -5.950
  119    HB2  LYS  18          2HB       LYS  18   8.975   2.380  -6.354
  120    HB3  LYS  18          1HB       LYS  18   7.922   3.394  -7.323
  121    HG2  LYS  18          2HG       LYS  18   8.261   5.201  -5.631
  122    HG3  LYS  18          1HG       LYS  18   9.468   4.160  -4.883
  123    HD2  LYS  18          2HD       LYS  18   9.540   5.148  -7.731
  124    HD3  LYS  18          1HD       LYS  18  10.427   5.824  -6.367
  125    HE2  LYS  18          2HE       LYS  18  10.733   3.005  -7.421
  126    HE3  LYS  18          1HE       LYS  18  11.812   4.343  -7.795
  127    HZ1  LYS  18          1HZ       LYS  18  12.757   3.022  -6.064
  128    HZ2  LYS  18          2HZ       LYS  18  11.367   3.119  -5.130
  129    HZ3  LYS  18          3HZ       LYS  18  12.297   4.505  -5.398
  130    H    ALA  19           H        ALA  19   7.431   4.188  -3.404
  131    HA   ALA  19           HA       ALA  19   8.819   2.303  -1.749
  132    HB1  ALA  19          1HB       ALA  19   9.174   4.741  -1.554
  133    HB2  ALA  19          2HB       ALA  19   8.668   4.034  -0.020
  134    HB3  ALA  19          3HB       ALA  19   7.511   4.928  -1.000
  135    H    CYS  20           H        CYS  20   5.556   3.580  -1.896
  136    HA   CYS  20           HA       CYS  20   4.452   2.341   0.348
  137    HB2  CYS  20          2HB       CYS  20   3.356   4.176  -0.840
  138    HB3  CYS  20          1HB       CYS  20   3.195   3.179  -2.276
  139    H    LYS  21           H        LYS  21   4.523   1.333  -3.049
  140    HA   LYS  21           HA       LYS  21   3.253  -1.127  -2.785
  141    HB2  LYS  21          2HB       LYS  21   3.734   0.033  -4.909
  142    HB3  LYS  21          1HB       LYS  21   5.441  -0.296  -4.692
  143    HG2  LYS  21          2HG       LYS  21   5.007  -2.692  -4.888
  144    HG3  LYS  21          1HG       LYS  21   3.282  -2.361  -5.092
  145    HD2  LYS  21          2HD       LYS  21   3.772  -1.027  -7.075
  146    HD3  LYS  21          1HD       LYS  21   5.491  -1.363  -6.882
  147    HE2  LYS  21          2HE       LYS  21   5.045  -3.751  -7.200
  148    HE3  LYS  21          1HE       LYS  21   3.328  -3.399  -7.401
  149    HZ1  LYS  21          1HZ       LYS  21   3.860  -2.073  -9.340
  150    HZ2  LYS  21          2HZ       LYS  21   4.446  -3.638  -9.528
  151    HZ3  LYS  21          3HZ       LYS  21   5.508  -2.393  -9.135
  152    H    SER  22           H        SER  22   6.647  -0.205  -2.465
  153    HA   SER  22           HA       SER  22   7.771  -2.741  -2.153
  154    HB2  SER  22          2HB       SER  22   8.671  -0.093  -1.007
  155    HB3  SER  22          1HB       SER  22   9.664  -1.545  -1.058
  156    HG   SER  22           HG       SER  22   8.581  -0.121  -3.266
  157    H    VAL  23           H        VAL  23   6.763  -0.430   0.425
  158    HA   VAL  23           HA       VAL  23   7.362  -2.286   2.473
  159    HB   VAL  23           HB       VAL  23   7.276   0.167   2.891
  160   HG11  VAL  23          1HG1      VAL  23   5.330   0.791   1.638
  161   HG12  VAL  23          2HG1      VAL  23   5.151   1.290   3.323
  162   HG13  VAL  23          3HG1      VAL  23   4.294  -0.131   2.728
  163   HG21  VAL  23          1HG2      VAL  23   6.240   0.083   5.113
  164   HG22  VAL  23          2HG2      VAL  23   7.220  -1.348   4.785
  165   HG23  VAL  23          3HG2      VAL  23   5.462  -1.437   4.681
  166    H    CYS  24           H        CYS  24   4.406  -1.561   0.708
  167    HA   CYS  24           HA       CYS  24   2.707  -3.170   2.177
  168    HB2  CYS  24          2HB       CYS  24   2.685  -2.278  -0.676
  169    HB3  CYS  24          1HB       CYS  24   1.504  -3.454  -0.110
  170    H    LYS  25           H        LYS  25   4.977  -4.073  -0.403
  171    HA   LYS  25           HA       LYS  25   4.056  -6.774  -0.452
  172    HB2  LYS  25          2HB       LYS  25   6.659  -5.619  -1.465
  173    HB3  LYS  25          1HB       LYS  25   6.100  -7.260  -1.756
  174    HG2  LYS  25          2HG       LYS  25   4.137  -6.350  -2.941
  175    HG3  LYS  25          1HG       LYS  25   4.770  -4.725  -2.692
  176    HD2  LYS  25          2HD       LYS  25   5.350  -5.403  -4.908
  177    HD3  LYS  25          1HD       LYS  25   6.824  -5.424  -3.943
  178    HE2  LYS  25          2HE       LYS  25   6.759  -7.393  -5.336
  179    HE3  LYS  25          1HE       LYS  25   6.553  -7.879  -3.660
  180    HZ1  LYS  25          1HZ       LYS  25   4.124  -8.038  -4.080
  181    HZ2  LYS  25          2HZ       LYS  25   5.007  -9.056  -5.053
  182    HZ3  LYS  25          3HZ       LYS  25   4.392  -7.634  -5.702
  183    H    GLU  26           H        GLU  26   6.372  -5.028   1.419
  184    HA   GLU  26           HA       GLU  26   7.712  -7.273   2.491
  185    HB2  GLU  26          2HB       GLU  26   7.336  -4.512   3.653
  186    HB3  GLU  26          1HB       GLU  26   8.389  -5.742   4.337
  187    HG2  GLU  26          2HG       GLU  26   8.653  -4.394   1.666
  188    HG3  GLU  26          1HG       GLU  26   9.728  -4.246   3.059
  189    H    HIS  27           H        HIS  27   4.870  -5.508   3.437
  190    HA   HIS  27           HA       HIS  27   4.400  -7.198   5.720
  191    HB2  HIS  27          2HB       HIS  27   2.608  -5.235   4.271
  192    HB3  HIS  27          1HB       HIS  27   2.082  -6.161   5.665
  193    HD1  HIS  27          1HD       HIS  27   2.451  -5.057   7.867
  194    HD2  HIS  27          2HD       HIS  27   4.847  -3.475   4.884
  195    HE1  HIS  27          1HE       HIS  27   3.587  -3.038   8.885
  196    H    TYR  28           H        TYR  28   2.773  -6.793   2.592
  197    HA   TYR  28           HA       TYR  28   1.760  -9.543   2.777
  198    HB2  TYR  28          2HB       TYR  28   0.439  -7.262   1.300
  199    HB3  TYR  28          1HB       TYR  28  -0.246  -8.817   1.762
  200    HD1  TYR  28          1HD       TYR  28   0.172  -5.382   2.684
  201    HD2  TYR  28          2HD       TYR  28  -0.614  -9.255   4.249
  202    HE1  TYR  28          1HE       TYR  28  -0.706  -4.367   4.736
  203    HE2  TYR  28          2HE       TYR  28  -1.497  -8.257   6.294
  204    HH   TYR  28           HH       TYR  28  -2.243  -4.982   6.619
  205    H    HIS  29           H        HIS  29   3.031 -10.623   1.366
  206    HA   HIS  29           HA       HIS  29   4.649  -9.471  -0.589
  207    HB2  HIS  29          2HB       HIS  29   3.743 -12.349  -0.439
  208    HB3  HIS  29          1HB       HIS  29   5.048 -11.758  -1.457
  209    HD1  HIS  29          1HD       HIS  29   6.120  -9.819   1.022
  210    HD2  HIS  29          2HD       HIS  29   5.507 -13.938   1.001
  211    HE1  HIS  29          1HE       HIS  29   7.549 -10.735   2.859
  212    H    HIS  30           H        HIS  30   1.375 -10.575  -0.907
  213    HA   HIS  30           HA       HIS  30   1.456 -10.594  -3.780
  214    HB2  HIS  30          2HB       HIS  30  -0.774 -10.989  -1.812
  215    HB3  HIS  30          1HB       HIS  30  -1.083 -10.832  -3.534
  216    HD1  HIS  30          1HD       HIS  30  -1.056 -12.940  -4.798
  217    HD2  HIS  30          2HD       HIS  30   1.094 -13.206  -1.259
  218    HE1  HIS  30          1HE       HIS  30  -0.281 -15.347  -4.639
  219    H    ALA  31           H        ALA  31   1.604  -8.068  -1.818
  220    HA   ALA  31           HA       ALA  31  -0.390  -6.359  -2.865
  221    HB1  ALA  31          1HB       ALA  31   0.923  -4.524  -1.960
  222    HB2  ALA  31          2HB       ALA  31   2.291  -5.607  -1.709
  223    HB3  ALA  31          3HB       ALA  31   0.804  -5.836  -0.788
  224    H    CYS  32           H        CYS  32  -0.529  -5.424  -4.703
  225    HA   CYS  32           HA       CYS  32   1.840  -5.280  -6.433
  226    HB2  CYS  32          2HB       CYS  32   0.104  -5.556  -8.287
  227    HB3  CYS  32          1HB       CYS  32   0.516  -6.986  -7.334
  228    H    LYS  33           H        LYS  33  -0.617  -3.584  -4.871
  229    HA   LYS  33           HA       LYS  33   0.156  -1.172  -6.268
  230    HB2  LYS  33          2HB       LYS  33  -1.757  -1.872  -7.536
  231    HB3  LYS  33          1HB       LYS  33  -2.704  -2.164  -6.102
  232    HG2  LYS  33          2HG       LYS  33  -3.465  -0.137  -7.080
  233    HG3  LYS  33          1HG       LYS  33  -2.569   0.296  -5.627
  234    HD2  LYS  33          2HD       LYS  33  -0.616   0.846  -6.992
  235    HD3  LYS  33          1HD       LYS  33  -1.504   0.384  -8.447
  236    HE2  LYS  33          2HE       LYS  33  -3.181   2.119  -7.926
  237    HE3  LYS  33          1HE       LYS  33  -2.207   2.609  -6.546
  238    HZ1  LYS  33          1HZ       LYS  33  -1.919   3.981  -8.515
  239    HZ2  LYS  33          2HZ       LYS  33  -1.269   2.690  -9.369
  240    HZ3  LYS  33          3HZ       LYS  33  -0.456   3.334  -8.032
  241    H    GLY  34           H        GLY  34   0.590   0.295  -4.798
  242    HA2  GLY  34          2HA       GLY  34  -0.687   0.051  -2.173
  243    HA3  GLY  34          1HA       GLY  34   0.901   0.768  -2.463
  244    H    GLU  35           H        GLU  35  -1.858   1.725  -1.454
  245    HA   GLU  35           HA       GLU  35  -1.918   4.164  -3.109
  246    HB2  GLU  35          2HB       GLU  35  -3.873   2.733  -3.367
  247    HB3  GLU  35          1HB       GLU  35  -4.183   2.816  -1.634
  248    HG2  GLU  35          2HG       GLU  35  -5.683   4.296  -2.720
  249    HG3  GLU  35          1HG       GLU  35  -4.463   5.286  -1.925
  250    H    CYS  36           H        CYS  36  -1.442   5.956  -2.000
  251    HA   CYS  36           HA       CYS  36  -0.925   5.875   0.811
  252    HB2  CYS  36          2HB       CYS  36  -0.852   8.112  -1.195
  253    HB3  CYS  36          1HB       CYS  36  -0.503   8.343   0.505
  254    H    GLU  37           H        GLU  37  -2.454   6.014   2.283
  255    HA   GLU  37           HA       GLU  37  -4.742   7.747   1.769
  256    HB2  GLU  37          2HB       GLU  37  -4.385   5.501   3.755
  257    HB3  GLU  37          1HB       GLU  37  -5.821   6.497   3.599
  258    HG2  GLU  37          2HG       GLU  37  -4.728   4.703   1.454
  259    HG3  GLU  37          1HG       GLU  37  -6.033   4.281   2.557
  260    H    TYR  38           H        TYR  38  -3.968   9.677   2.448
  261    HA   TYR  38           HA       TYR  38  -2.571   9.924   4.955
  262    HB2  TYR  38          2HB       TYR  38  -3.649  11.909   2.962
  263    HB3  TYR  38          1HB       TYR  38  -3.064  12.430   4.531
  264    HD1  TYR  38          1HD       TYR  38  -0.723  12.358   5.069
  265    HD2  TYR  38          2HD       TYR  38  -2.104  11.100   1.248
  266    HE1  TYR  38          1HE       TYR  38   1.564  12.487   4.217
  267    HE2  TYR  38          2HE       TYR  38   0.190  11.216   0.381
  268    HH   TYR  38           HH       TYR  38   2.281  12.480   0.964
  269    H    HIS  39           H        HIS  39  -3.718   9.433   6.660
  270    HA   HIS  39           HA       HIS  39  -6.519  10.286   6.667
  271    HB2  HIS  39          2HB       HIS  39  -6.088   7.801   6.607
  272    HB3  HIS  39          1HB       HIS  39  -5.312   7.956   8.174
  273    HD1  HIS  39          1HD       HIS  39  -8.607   7.564   6.566
  274    HD2  HIS  39          2HD       HIS  39  -7.128   8.619  10.304
  275    HE1  HIS  39          1HE       HIS  39 -10.529   7.336   8.171
  276    H    GLY  40           H        GLY  40  -6.082  12.262   7.544
  277    HA2  GLY  40          2HA       GLY  40  -6.053  13.707   9.308
  278    HA3  GLY  40          1HA       GLY  40  -5.976  12.319  10.381
  279    H    ARG  41           H        ARG  41  -3.860  11.338  10.666
  280    HA   ARG  41           HA       ARG  41  -1.973  13.473  11.226
  281    HB2  ARG  41          2HB       ARG  41  -1.903  10.564  11.986
  282    HB3  ARG  41          1HB       ARG  41  -0.752  11.772  12.506
  283    HG2  ARG  41          2HG       ARG  41  -2.517  12.935  13.717
  284    HG3  ARG  41          1HG       ARG  41  -3.686  11.726  13.168
  285    HD2  ARG  41          2HD       ARG  41  -2.410   9.968  14.262
  286    HD3  ARG  41          1HD       ARG  41  -1.204  11.150  14.759
  287    HE   ARG  41           HE       ARG  41  -3.821  11.771  15.700
  288   HH11  ARG  41          1HH1      ARG  41  -0.945   9.788  16.317
  289   HH12  ARG  41          2HH1      ARG  41  -1.192   9.670  17.990
  290   HH21  ARG  41          1HH2      ARG  41  -4.187  11.582  18.034
  291   HH22  ARG  41          2HH2      ARG  41  -3.100  10.715  18.992
  292    H    GLU  42           H        GLU  42  -1.553  10.152   9.975
  293    HA   GLU  42           HA       GLU  42   0.629  11.178   8.337
  294    HB2  GLU  42          2HB       GLU  42   1.381  10.197  10.534
  295    HB3  GLU  42          1HB       GLU  42   0.682   8.672  10.044
  296    HG2  GLU  42          2HG       GLU  42   2.330   8.371   8.356
  297    HG3  GLU  42          1HG       GLU  42   2.898  10.036   8.525
  298    H    VAL  43           H        VAL  43   1.326   8.994   6.968
  299    HA   VAL  43           HA       VAL  43  -1.131   8.453   5.533
  300    HB   VAL  43           HB       VAL  43   0.507   9.650   4.219
  301   HG11  VAL  43          1HG1      VAL  43   2.547   8.988   5.342
  302   HG12  VAL  43          2HG1      VAL  43   2.664   8.689   3.604
  303   HG13  VAL  43          3HG1      VAL  43   2.366   7.349   4.711
  304   HG21  VAL  43          1HG2      VAL  43   0.269   6.785   3.324
  305   HG22  VAL  43          2HG2      VAL  43   0.722   8.141   2.295
  306   HG23  VAL  43          3HG2      VAL  43  -0.887   8.081   3.016
  307    H    HIS  44           H        HIS  44  -1.963   6.581   5.408
  308    HA   HIS  44           HA       HIS  44  -0.442   4.194   6.200
  309    HB2  HIS  44          2HB       HIS  44  -3.450   4.676   6.052
  310    HB3  HIS  44          1HB       HIS  44  -2.704   3.146   6.465
  311    HD1  HIS  44          1HD       HIS  44  -3.441   2.866   8.903
  312    HD2  HIS  44          2HD       HIS  44  -1.855   6.630   8.079
  313    HE1  HIS  44          1HE       HIS  44  -3.364   4.091  11.102
  314    H    CYS  45           H        CYS  45  -0.114   2.733   4.571
  315    HA   CYS  45           HA       CYS  45  -1.251   3.409   2.002
  316    HB2  CYS  45          2HB       CYS  45   1.021   1.715   2.879
  317    HB3  CYS  45          1HB       CYS  45   0.226   1.320   1.357
  318    H    HIS  46           H        HIS  46  -2.908   2.478   1.207
  319    HA   HIS  46           HA       HIS  46  -3.824   0.005   2.377
  320    HB2  HIS  46          2HB       HIS  46  -5.030   1.911   0.389
  321    HB3  HIS  46          1HB       HIS  46  -5.652   0.272   0.537
  322    HD1  HIS  46          1HD       HIS  46  -7.513   2.578   1.227
  323    HD2  HIS  46          2HD       HIS  46  -5.050   0.723   4.003
  324    HE1  HIS  46          1HE       HIS  46  -8.622   2.916   3.467
  325    H    CYS  47           H        CYS  47  -3.033  -1.733   1.753
  326    HA   CYS  47           HA       CYS  47  -1.523  -1.833  -0.696
  327    HB2  CYS  47          2HB       CYS  47  -1.849  -3.910   1.456
  328    HB3  CYS  47          1HB       CYS  47  -0.581  -3.823   0.236
  329    H    TYR  48           H        TYR  48  -2.664  -2.308  -2.433
  330    HA   TYR  48           HA       TYR  48  -4.916  -4.134  -2.317
  331    HB2  TYR  48          2HB       TYR  48  -3.666  -2.546  -4.544
  332    HB3  TYR  48          1HB       TYR  48  -5.052  -3.607  -4.771
  333    HD1  TYR  48          1HD       TYR  48  -7.201  -2.982  -3.669
  334    HD2  TYR  48          2HD       TYR  48  -3.887  -0.339  -3.764
  335    HE1  TYR  48          1HE       TYR  48  -8.702  -1.116  -3.241
  336    HE2  TYR  48          2HE       TYR  48  -5.397   1.557  -3.319
  337    HH   TYR  48           HH       TYR  48  -8.643   1.139  -2.382
  338    H    GLY  49           H        GLY  49  -4.825  -6.145  -3.236
  339    HA2  GLY  49          2HA       GLY  49  -2.183  -6.908  -4.239
  340    HA3  GLY  49          1HA       GLY  49  -2.927  -7.818  -2.947
  341    H    ASP  50           H        ASP  50  -2.097  -9.058  -5.052
  342    HA   ASP  50           HA       ASP  50  -4.431  -9.603  -6.734
  343    HB2  ASP  50          2HB       ASP  50  -2.489  -8.907  -7.984
  344    HB3  ASP  50          1HB       ASP  50  -1.492 -10.117  -7.185
  345    H    TYR  51           H        TYR  51  -5.533 -11.273  -6.004
  346    HA   TYR  51           HA       TYR  51  -4.209 -13.403  -4.583
  347    HB2  TYR  51          2HB       TYR  51  -7.110 -12.911  -5.254
  348    HB3  TYR  51          1HB       TYR  51  -6.540 -14.354  -4.429
  349    HD1  TYR  51          1HD       TYR  51  -5.860 -14.267  -2.123
  350    HD2  TYR  51          2HD       TYR  51  -7.109 -10.748  -4.139
  351    HE1  TYR  51          1HE       TYR  51  -6.062 -13.117   0.031
  352    HE2  TYR  51          2HE       TYR  51  -7.311  -9.588  -2.002
  353    HH   TYR  51           HH       TYR  51  -7.707 -10.284   0.477
  354    H    HIS  52           H        HIS  52  -3.652 -15.204  -5.460
  355    HA   HIS  52           HA       HIS  52  -3.772 -15.524  -8.301
  356    HB2  HIS  52          2HB       HIS  52  -1.816 -16.220  -6.832
  357    HB3  HIS  52          1HB       HIS  52  -2.803 -17.575  -6.299
  358    HD1  HIS  52          1HD       HIS  52  -2.661 -19.675  -7.750
  359    HD2  HIS  52          2HD       HIS  52  -1.292 -16.250  -9.671
  360    HE1  HIS  52          1HE       HIS  52  -1.673 -20.447  -9.931
  Start of MODEL    4
    1    H1   ALA   1           H        ALA   1  -5.059 -11.451 -11.459
    2    HA   ALA   1           HA       ALA   1  -7.191 -10.327 -12.707
    3    HB1  ALA   1          1HB       ALA   1  -8.777  -9.665 -10.959
    4    HB2  ALA   1          2HB       ALA   1  -7.868 -10.611  -9.780
    5    HB3  ALA   1          3HB       ALA   1  -8.694 -11.420 -11.111
    6    H    HIS   2           H        HIS   2  -7.717  -7.956 -11.443
    7    HA   HIS   2           HA       HIS   2  -5.049  -6.863 -11.366
    8    HB2  HIS   2          2HB       HIS   2  -7.739  -5.481 -11.374
    9    HB3  HIS   2          1HB       HIS   2  -6.191  -4.644 -11.399
   10    HD1  HIS   2          1HD       HIS   2  -4.871  -4.672 -13.676
   11    HD2  HIS   2          2HD       HIS   2  -8.509  -6.673 -13.733
   12    HE1  HIS   2          1HE       HIS   2  -5.341  -5.179 -16.093
   13    H    CYS   3           H        CYS   3  -4.417  -5.276  -9.773
   14    HA   CYS   3           HA       CYS   3  -4.906  -6.418  -7.178
   15    HB2  CYS   3          2HB       CYS   3  -2.956  -4.271  -7.992
   16    HB3  CYS   3          1HB       CYS   3  -2.928  -5.230  -6.515
   17    H    ASP   4           H        ASP   4  -7.092  -5.525  -7.044
   18    HA   ASP   4           HA       ASP   4  -6.992  -2.750  -6.040
   19    HB2  ASP   4          2HB       ASP   4  -9.078  -4.045  -7.715
   20    HB3  ASP   4          1HB       ASP   4  -9.600  -2.885  -6.502
   21    H    HIS   5           H        HIS   5  -7.200  -5.798  -5.009
   22    HA   HIS   5           HA       HIS   5  -9.350  -5.436  -3.138
   23    HB2  HIS   5          2HB       HIS   5  -8.800  -7.657  -4.106
   24    HB3  HIS   5          1HB       HIS   5  -7.242  -7.605  -3.303
   25    HD1  HIS   5          1HD       HIS   5  -9.261  -9.894  -2.826
   26    HD2  HIS   5          2HD       HIS   5  -8.934  -6.551  -0.388
   27    HE1  HIS   5          1HE       HIS   5 -10.106 -10.588  -0.550
   28    H    PHE   6           H        PHE   6  -9.056  -4.050  -1.564
   29    HA   PHE   6           HA       PHE   6  -6.572  -3.376  -0.418
   30    HB2  PHE   6          2HB       PHE   6  -8.372  -1.788  -0.272
   31    HB3  PHE   6          1HB       PHE   6  -9.437  -2.969   0.472
   32    HD1  PHE   6          1HD       PHE   6  -9.692  -2.984   2.748
   33    HD2  PHE   6          2HD       PHE   6  -6.226  -1.127   1.104
   34    HE1  PHE   6          1HE       PHE   6  -9.060  -2.190   4.984
   35    HE2  PHE   6          2HE       PHE   6  -5.604  -0.336   3.342
   36    HZ   PHE   6           HZ       PHE   6  -7.014  -0.863   5.280
   37    H    LEU   7           H        LEU   7  -5.429  -4.843   0.494
   38    HA   LEU   7           HA       LEU   7  -6.557  -7.117   1.904
   39    HB2  LEU   7          2HB       LEU   7  -3.686  -6.304   1.478
   40    HB3  LEU   7          1HB       LEU   7  -4.217  -7.847   2.092
   41    HG   LEU   7           HG       LEU   7  -4.611  -6.783  -0.707
   42   HD11  LEU   7          1HD1      LEU   7  -3.134  -8.628  -1.336
   43   HD12  LEU   7          2HD1      LEU   7  -2.917  -9.023   0.369
   44   HD13  LEU   7          3HD1      LEU   7  -2.346  -7.476  -0.258
   45   HD21  LEU   7          1HD2      LEU   7  -5.537  -8.987  -1.234
   46   HD22  LEU   7          2HD2      LEU   7  -6.531  -8.140  -0.053
   47   HD23  LEU   7          3HD2      LEU   7  -5.451  -9.435   0.469
   48    H    GLY   8           H        GLY   8  -4.345  -4.444   2.581
   49    HA2  GLY   8          2HA       GLY   8  -5.277  -4.083   5.202
   50    HA3  GLY   8          1HA       GLY   8  -3.770  -4.998   5.190
   51    H    GLU   9           H        GLU   9  -2.864  -3.186   6.281
   52    HA   GLU   9           HA       GLU   9  -2.120  -1.080   4.412
   53    HB2  GLU   9          2HB       GLU   9  -2.385   0.580   6.220
   54    HB3  GLU   9          1HB       GLU   9  -3.906  -0.163   5.747
   55    HG2  GLU   9          2HG       GLU   9  -3.667  -1.704   7.685
   56    HG3  GLU   9          1HG       GLU   9  -2.269  -0.758   8.188
   57    H    ALA  10           H        ALA  10  -0.141  -0.184   4.776
   58    HA   ALA  10           HA       ALA  10   1.589  -1.503   6.736
   59    HB1  ALA  10          1HB       ALA  10   1.982  -2.471   4.516
   60    HB2  ALA  10          2HB       ALA  10   3.369  -1.516   5.039
   61    HB3  ALA  10          3HB       ALA  10   2.242  -0.857   3.851
   62    HA   PRO  11           HA       PRO  11   2.789   2.768   7.273
   63    HB2  PRO  11          2HB       PRO  11   4.760   2.475   9.056
   64    HB3  PRO  11          1HB       PRO  11   3.080   2.118   9.468
   65    HG2  PRO  11          2HG       PRO  11   5.323   0.252   8.919
   66    HG3  PRO  11          1HG       PRO  11   3.915   0.037   9.968
   67    HD2  PRO  11          2HD       PRO  11   4.262  -0.955   7.328
   68    HD3  PRO  11          1HD       PRO  11   2.789  -1.006   8.317
   69    H    VAL  12           H        VAL  12   4.021   4.116   6.065
   70    HA   VAL  12           HA       VAL  12   6.796   3.763   5.721
   71    HB   VAL  12           HB       VAL  12   6.114   2.274   3.891
   72   HG11  VAL  12          1HG1      VAL  12   4.550   4.595   2.804
   73   HG12  VAL  12          2HG1      VAL  12   3.913   3.077   3.442
   74   HG13  VAL  12          3HG1      VAL  12   4.861   3.079   1.953
   75   HG21  VAL  12          1HG2      VAL  12   8.120   3.579   3.501
   76   HG22  VAL  12          2HG2      VAL  12   7.156   4.907   2.852
   77   HG23  VAL  12          3HG2      VAL  12   7.232   3.370   1.988
   78    H    TYR  13           H        TYR  13   7.713   5.711   5.704
   79    HA   TYR  13           HA       TYR  13   6.242   7.937   4.598
   80    HB2  TYR  13          2HB       TYR  13   5.687   7.866   7.030
   81    HB3  TYR  13          1HB       TYR  13   7.405   7.956   7.400
   82    HD1  TYR  13          1HD       TYR  13   8.508  10.047   7.485
   83    HD2  TYR  13          2HD       TYR  13   4.593   9.797   5.852
   84    HE1  TYR  13          1HE       TYR  13   8.392  12.482   7.411
   85    HE2  TYR  13          2HE       TYR  13   4.456  12.234   5.774
   86    HH   TYR  13           HH       TYR  13   5.495  14.177   6.865
   87    HA   PRO  14           HA       PRO  14   6.596   9.877   3.826
   88    HB2  PRO  14          2HB       PRO  14   7.379  10.679   1.353
   89    HB3  PRO  14          1HB       PRO  14   7.865  11.530   2.825
   90    HG2  PRO  14          2HG       PRO  14   9.403   9.578   1.168
   91    HG3  PRO  14          1HG       PRO  14   9.960  11.065   1.953
   92    HD2  PRO  14          2HD       PRO  14  10.380   8.566   2.983
   93    HD3  PRO  14          1HD       PRO  14  10.260  10.029   3.976
   94    H    CYS  15           H        CYS  15   4.866   9.242   2.532
   95    HA   CYS  15           HA       CYS  15   5.214   6.584   1.479
   96    HB2  CYS  15          2HB       CYS  15   3.327   7.129   3.031
   97    HB3  CYS  15          1HB       CYS  15   2.669   8.181   1.784
   98    H    LYS  16           H        LYS  16   6.115   6.692  -0.442
   99    HA   LYS  16           HA       LYS  16   4.972   8.394  -2.489
  100    HB2  LYS  16          2HB       LYS  16   7.468   8.148  -2.141
  101    HB3  LYS  16          1HB       LYS  16   7.300   6.461  -2.598
  102    HG2  LYS  16          2HG       LYS  16   8.088   7.738  -4.467
  103    HG3  LYS  16          1HG       LYS  16   6.447   7.170  -4.778
  104    HD2  LYS  16          2HD       LYS  16   5.527   9.291  -4.179
  105    HD3  LYS  16          1HD       LYS  16   7.113   9.890  -3.702
  106    HE2  LYS  16          2HE       LYS  16   6.350   9.025  -6.493
  107    HE3  LYS  16          1HE       LYS  16   6.391  10.693  -5.934
  108    HZ1  LYS  16          1HZ       LYS  16   8.408  10.026  -7.130
  109    HZ2  LYS  16          2HZ       LYS  16   8.780   8.909  -5.899
  110    HZ3  LYS  16          3HZ       LYS  16   8.698  10.550  -5.567
  111    H    GLU  17           H        GLU  17   4.026   7.364  -4.331
  112    HA   GLU  17           HA       GLU  17   2.376   5.191  -3.933
  113    HB2  GLU  17          2HB       GLU  17   3.518   5.758  -6.667
  114    HB3  GLU  17          1HB       GLU  17   1.935   5.130  -6.273
  115    HG2  GLU  17          2HG       GLU  17   1.572   7.330  -7.017
  116    HG3  GLU  17          1HG       GLU  17   1.457   7.420  -5.264
  117    H    LYS  18           H        LYS  18   5.434   5.176  -5.739
  118    HA   LYS  18           HA       LYS  18   5.548   2.412  -6.193
  119    HB2  LYS  18          2HB       LYS  18   6.875   4.058  -7.446
  120    HB3  LYS  18          1HB       LYS  18   7.825   4.387  -6.008
  121    HG2  LYS  18          2HG       LYS  18   8.652   2.079  -6.035
  122    HG3  LYS  18          1HG       LYS  18   7.706   1.768  -7.492
  123    HD2  LYS  18          2HD       LYS  18   8.954   3.523  -8.660
  124    HD3  LYS  18          1HD       LYS  18   9.912   3.801  -7.208
  125    HE2  LYS  18          2HE       LYS  18  10.734   1.490  -7.320
  126    HE3  LYS  18          1HE       LYS  18   9.785   1.231  -8.778
  127    HZ1  LYS  18          1HZ       LYS  18  12.132   1.765  -9.255
  128    HZ2  LYS  18          2HZ       LYS  18  11.931   3.262  -8.523
  129    HZ3  LYS  18          3HZ       LYS  18  11.087   2.895  -9.914
  130    H    ALA  19           H        ALA  19   6.891   4.372  -3.581
  131    HA   ALA  19           HA       ALA  19   8.320   2.294  -2.304
  132    HB1  ALA  19          1HB       ALA  19   8.421   3.771  -0.365
  133    HB2  ALA  19          2HB       ALA  19   7.170   4.796  -1.068
  134    HB3  ALA  19          3HB       ALA  19   8.749   4.672  -1.845
  135    H    CYS  20           H        CYS  20   5.066   3.552  -1.885
  136    HA   CYS  20           HA       CYS  20   4.260   1.978   0.274
  137    HB2  CYS  20          2HB       CYS  20   3.040   3.969  -0.576
  138    HB3  CYS  20          1HB       CYS  20   2.642   3.094  -2.044
  139    H    LYS  21           H        LYS  21   3.937   1.497  -3.228
  140    HA   LYS  21           HA       LYS  21   2.731  -1.000  -3.278
  141    HB2  LYS  21          2HB       LYS  21   3.030   0.449  -5.238
  142    HB3  LYS  21          1HB       LYS  21   4.762   0.194  -5.175
  143    HG2  LYS  21          2HG       LYS  21   4.441  -2.162  -5.725
  144    HG3  LYS  21          1HG       LYS  21   2.693  -1.920  -5.763
  145    HD2  LYS  21          2HD       LYS  21   2.968  -0.277  -7.571
  146    HD3  LYS  21          1HD       LYS  21   4.711  -0.540  -7.542
  147    HE2  LYS  21          2HE       LYS  21   4.360  -2.880  -8.164
  148    HE3  LYS  21          1HE       LYS  21   2.617  -2.617  -8.180
  149    HZ1  LYS  21          1HZ       LYS  21   3.497  -2.515 -10.400
  150    HZ2  LYS  21          2HZ       LYS  21   4.611  -1.336  -9.969
  151    HZ3  LYS  21          3HZ       LYS  21   2.972  -0.972  -9.976
  152    H    SER  22           H        SER  22   6.144  -0.148  -3.064
  153    HA   SER  22           HA       SER  22   7.172  -2.764  -3.184
  154    HB2  SER  22          2HB       SER  22   8.513  -0.721  -3.649
  155    HB3  SER  22          1HB       SER  22   8.417  -0.290  -1.944
  156    HG   SER  22           HG       SER  22   9.344  -2.834  -2.517
  157    H    VAL  23           H        VAL  23   6.573  -0.624  -0.377
  158    HA   VAL  23           HA       VAL  23   7.377  -2.475   1.584
  159    HB   VAL  23           HB       VAL  23   5.517  -0.075   1.812
  160   HG11  VAL  23          1HG1      VAL  23   6.871  -1.628   4.024
  161   HG12  VAL  23          2HG1      VAL  23   5.141  -1.615   3.685
  162   HG13  VAL  23          3HG1      VAL  23   5.944  -0.139   4.223
  163   HG21  VAL  23          1HG2      VAL  23   8.439  -0.422   2.455
  164   HG22  VAL  23          2HG2      VAL  23   7.495   1.038   2.740
  165   HG23  VAL  23          3HG2      VAL  23   7.770   0.472   1.092
  166    H    CYS  24           H        CYS  24   4.227  -1.849   0.137
  167    HA   CYS  24           HA       CYS  24   2.746  -3.561   1.716
  168    HB2  CYS  24          2HB       CYS  24   2.379  -2.562  -1.066
  169    HB3  CYS  24          1HB       CYS  24   1.285  -3.779  -0.408
  170    H    LYS  25           H        LYS  25   4.874  -4.370  -0.951
  171    HA   LYS  25           HA       LYS  25   3.859  -7.048  -1.161
  172    HB2  LYS  25          2HB       LYS  25   6.470  -5.898  -2.127
  173    HB3  LYS  25          1HB       LYS  25   5.863  -7.494  -2.535
  174    HG2  LYS  25          2HG       LYS  25   3.901  -6.405  -3.602
  175    HG3  LYS  25          1HG       LYS  25   4.664  -4.845  -3.297
  176    HD2  LYS  25          2HD       LYS  25   5.823  -7.087  -4.955
  177    HD3  LYS  25          1HD       LYS  25   5.071  -5.620  -5.577
  178    HE2  LYS  25          2HE       LYS  25   6.824  -4.278  -4.511
  179    HE3  LYS  25          1HE       LYS  25   7.575  -5.749  -3.886
  180    HZ1  LYS  25          1HZ       LYS  25   7.228  -5.024  -6.731
  181    HZ2  LYS  25          2HZ       LYS  25   7.921  -6.462  -6.191
  182    HZ3  LYS  25          3HZ       LYS  25   8.675  -4.992  -5.875
  183    H    GLU  26           H        GLU  26   5.988  -5.450   0.934
  184    HA   GLU  26           HA       GLU  26   7.472  -7.811   1.693
  185    HB2  GLU  26          2HB       GLU  26   7.359  -5.122   3.075
  186    HB3  GLU  26          1HB       GLU  26   8.571  -6.374   3.298
  187    HG2  GLU  26          2HG       GLU  26   8.128  -4.745   0.807
  188    HG3  GLU  26          1HG       GLU  26   9.445  -4.562   1.960
  189    H    HIS  27           H        HIS  27   4.915  -5.762   2.942
  190    HA   HIS  27           HA       HIS  27   4.553  -7.393   5.298
  191    HB2  HIS  27          2HB       HIS  27   2.891  -5.134   4.165
  192    HB3  HIS  27          1HB       HIS  27   2.448  -6.010   5.622
  193    HD1  HIS  27          1HD       HIS  27   3.346  -5.047   7.750
  194    HD2  HIS  27          2HD       HIS  27   5.429  -3.786   4.404
  195    HE1  HIS  27          1HE       HIS  27   5.040  -3.366   8.592
  196    H    TYR  28           H        TYR  28   2.857  -6.992   2.220
  197    HA   TYR  28           HA       TYR  28   1.336  -9.396   2.869
  198    HB2  TYR  28          2HB       TYR  28   0.459  -7.001   1.232
  199    HB3  TYR  28          1HB       TYR  28  -0.498  -8.456   1.492
  200    HD1  TYR  28          1HD       TYR  28  -1.601  -8.834   3.634
  201    HD2  TYR  28          2HD       TYR  28   0.779  -5.369   2.996
  202    HE1  TYR  28          1HE       TYR  28  -2.513  -7.837   5.667
  203    HE2  TYR  28          2HE       TYR  28  -0.105  -4.357   5.016
  204    HH   TYR  28           HH       TYR  28  -1.948  -6.165   7.296
  205    H    HIS  29           H        HIS  29   2.220 -10.932   1.715
  206    HA   HIS  29           HA       HIS  29   3.825 -10.413  -0.533
  207    HB2  HIS  29          2HB       HIS  29   2.829 -12.990   0.648
  208    HB3  HIS  29          1HB       HIS  29   3.848 -12.952  -0.784
  209    HD1  HIS  29          1HD       HIS  29   6.351 -12.699  -0.396
  210    HD2  HIS  29          2HD       HIS  29   4.090 -11.917   2.999
  211    HE1  HIS  29          1HE       HIS  29   7.990 -12.487   1.499
  212    H    HIS  30           H        HIS  30   0.481 -10.884  -0.251
  213    HA   HIS  30           HA       HIS  30   0.258 -11.588  -3.048
  214    HB2  HIS  30          2HB       HIS  30  -1.901 -11.161  -0.978
  215    HB3  HIS  30          1HB       HIS  30  -2.203 -11.605  -2.654
  216    HD1  HIS  30          1HD       HIS  30  -1.115 -13.999  -3.372
  217    HD2  HIS  30          2HD       HIS  30  -1.448 -13.217   0.684
  218    HE1  HIS  30          1HE       HIS  30  -1.008 -16.249  -2.222
  219    H    ALA  31           H        ALA  31   0.755  -8.797  -1.410
  220    HA   ALA  31           HA       ALA  31  -1.072  -7.119  -2.868
  221    HB1  ALA  31          1HB       ALA  31   1.271  -6.361  -1.124
  222    HB2  ALA  31          2HB       ALA  31  -0.413  -6.482  -0.603
  223    HB3  ALA  31          3HB       ALA  31   0.062  -5.255  -1.775
  224    H    CYS  32           H        CYS  32  -0.635  -5.867  -4.530
  225    HA   CYS  32           HA       CYS  32   2.031  -5.937  -5.694
  226    HB2  CYS  32          2HB       CYS  32   0.681  -6.296  -7.946
  227    HB3  CYS  32          1HB       CYS  32   1.220  -7.658  -6.966
  228    H    LYS  33           H        LYS  33  -0.332  -4.069  -4.573
  229    HA   LYS  33           HA       LYS  33   0.575  -1.800  -6.083
  230    HB2  LYS  33          2HB       LYS  33  -1.380  -2.475  -7.378
  231    HB3  LYS  33          1HB       LYS  33  -2.352  -2.611  -5.929
  232    HG2  LYS  33          2HG       LYS  33  -2.149  -0.177  -5.594
  233    HG3  LYS  33          1HG       LYS  33  -1.195  -0.069  -7.072
  234    HD2  LYS  33          2HD       LYS  33  -3.088  -0.903  -8.369
  235    HD3  LYS  33          1HD       LYS  33  -4.037  -1.074  -6.894
  236    HE2  LYS  33          2HE       LYS  33  -2.931   1.526  -7.958
  237    HE3  LYS  33          1HE       LYS  33  -4.597   0.985  -8.142
  238    HZ1  LYS  33          1HZ       LYS  33  -3.218   1.507  -5.575
  239    HZ2  LYS  33          2HZ       LYS  33  -4.855   1.060  -5.757
  240    HZ3  LYS  33          3HZ       LYS  33  -4.307   2.549  -6.298
  241    H    GLY  34           H        GLY  34   0.517   0.045  -4.790
  242    HA2  GLY  34          2HA       GLY  34  -0.798  -0.190  -2.197
  243    HA3  GLY  34          1HA       GLY  34   0.917   0.231  -2.276
  244    H    GLU  35           H        GLU  35  -1.605   1.771  -1.508
  245    HA   GLU  35           HA       GLU  35  -0.916   4.093  -3.130
  246    HB2  GLU  35          2HB       GLU  35  -3.055   2.878  -3.958
  247    HB3  GLU  35          1HB       GLU  35  -3.779   3.462  -2.465
  248    HG2  GLU  35          2HG       GLU  35  -3.630   5.690  -3.119
  249    HG3  GLU  35          1HG       GLU  35  -2.500   5.321  -4.421
  250    H    CYS  36           H        CYS  36  -0.918   5.962  -2.004
  251    HA   CYS  36           HA       CYS  36  -0.835   5.656   0.858
  252    HB2  CYS  36          2HB       CYS  36  -0.193   8.007  -0.906
  253    HB3  CYS  36          1HB       CYS  36   0.185   7.857   0.809
  254    H    GLU  37           H        GLU  37  -2.299   6.370   2.211
  255    HA   GLU  37           HA       GLU  37  -4.434   8.133   1.228
  256    HB2  GLU  37          2HB       GLU  37  -4.621   5.678   2.977
  257    HB3  GLU  37          1HB       GLU  37  -5.926   6.841   2.806
  258    HG2  GLU  37          2HG       GLU  37  -4.730   5.477   0.422
  259    HG3  GLU  37          1HG       GLU  37  -5.990   4.711   1.386
  260    H    TYR  38           H        TYR  38  -4.779   9.846   2.514
  261    HA   TYR  38           HA       TYR  38  -3.134  10.012   4.896
  262    HB2  TYR  38          2HB       TYR  38  -4.492  12.142   3.253
  263    HB3  TYR  38          1HB       TYR  38  -3.770  12.477   4.822
  264    HD1  TYR  38          1HD       TYR  38  -1.340  12.258   5.133
  265    HD2  TYR  38          2HD       TYR  38  -3.113  11.819   1.291
  266    HE1  TYR  38          1HE       TYR  38   0.860  12.539   4.100
  267    HE2  TYR  38          2HE       TYR  38  -0.918  12.095   0.244
  268    HH   TYR  38           HH       TYR  38   1.319  13.272   0.974
  269    H    HIS  39           H        HIS  39  -3.940   9.548   6.731
  270    HA   HIS  39           HA       HIS  39  -6.766  10.083   7.256
  271    HB2  HIS  39          2HB       HIS  39  -6.161   7.672   7.431
  272    HB3  HIS  39          1HB       HIS  39  -4.895   8.080   8.581
  273    HD1  HIS  39          1HD       HIS  39  -5.628   8.544  11.031
  274    HD2  HIS  39          2HD       HIS  39  -8.775   7.732   8.437
  275    HE1  HIS  39          1HE       HIS  39  -7.635   8.199  12.479
  276    H    GLY  40           H        GLY  40  -6.532  12.158   7.885
  277    HA2  GLY  40          2HA       GLY  40  -6.171  13.847   9.391
  278    HA3  GLY  40          1HA       GLY  40  -5.447  12.660  10.480
  279    H    ARG  41           H        ARG  41  -3.372  12.844  10.811
  280    HA   ARG  41           HA       ARG  41  -1.746  14.462   8.971
  281    HB2  ARG  41          2HB       ARG  41  -1.049  13.430  11.726
  282    HB3  ARG  41          1HB       ARG  41  -0.206  14.672  10.813
  283    HG2  ARG  41          2HG       ARG  41  -2.113  16.156  11.032
  284    HG3  ARG  41          1HG       ARG  41  -3.004  14.901  11.887
  285    HD2  ARG  41          2HD       ARG  41  -1.216  14.917  13.623
  286    HD3  ARG  41          1HD       ARG  41  -0.497  16.302  12.796
  287    HE   ARG  41           HE       ARG  41  -3.242  16.704  13.337
  288   HH11  ARG  41          1HH1      ARG  41  -0.057  16.888  14.854
  289   HH12  ARG  41          2HH1      ARG  41  -0.555  17.943  16.085
  290   HH21  ARG  41          1HH2      ARG  41  -3.919  18.169  15.058
  291   HH22  ARG  41          2HH2      ARG  41  -2.780  18.690  16.200
  292    H    GLU  42           H        GLU  42  -2.516  11.299   9.715
  293    HA   GLU  42           HA       GLU  42   0.160  10.200   9.412
  294    HB2  GLU  42          2HB       GLU  42  -2.447   8.856  10.090
  295    HB3  GLU  42          1HB       GLU  42  -0.844   8.148  10.186
  296    HG2  GLU  42          2HG       GLU  42  -1.830  10.459  11.841
  297    HG3  GLU  42          1HG       GLU  42  -1.727   8.782  12.371
  298    H    VAL  43           H        VAL  43   0.748   9.419   7.482
  299    HA   VAL  43           HA       VAL  43  -1.363   8.879   5.567
  300    HB   VAL  43           HB       VAL  43   0.542  10.287   4.774
  301   HG11  VAL  43          1HG1      VAL  43   2.375   9.274   6.002
  302   HG12  VAL  43          2HG1      VAL  43   2.698   9.263   4.260
  303   HG13  VAL  43          3HG1      VAL  43   2.161   7.791   5.066
  304   HG21  VAL  43          1HG2      VAL  43   0.893   9.133   2.642
  305   HG22  VAL  43          2HG2      VAL  43  -0.789   9.059   3.163
  306   HG23  VAL  43          3HG2      VAL  43   0.254   7.649   3.347
  307    H    HIS  44           H        HIS  44  -1.977   6.950   5.085
  308    HA   HIS  44           HA       HIS  44  -0.473   4.704   6.210
  309    HB2  HIS  44          2HB       HIS  44  -3.428   4.998   5.592
  310    HB3  HIS  44          1HB       HIS  44  -2.674   3.475   6.031
  311    HD1  HIS  44          1HD       HIS  44  -3.498   2.989   8.402
  312    HD2  HIS  44          2HD       HIS  44  -2.422   6.981   7.854
  313    HE1  HIS  44          1HE       HIS  44  -3.728   4.063  10.614
  314    H    CYS  45           H        CYS  45   0.090   3.079   4.886
  315    HA   CYS  45           HA       CYS  45  -0.249   3.537   2.037
  316    HB2  CYS  45          2HB       CYS  45   2.007   3.252   2.809
  317    HB3  CYS  45          1HB       CYS  45   1.583   1.805   3.709
  318    H    HIS  46           H        HIS  46  -2.032   2.564   1.237
  319    HA   HIS  46           HA       HIS  46  -3.010   0.233   2.625
  320    HB2  HIS  46          2HB       HIS  46  -4.297   2.094   0.630
  321    HB3  HIS  46          1HB       HIS  46  -5.055   0.591   1.142
  322    HD1  HIS  46          1HD       HIS  46  -6.778   2.833   1.869
  323    HD2  HIS  46          2HD       HIS  46  -3.536   1.823   4.272
  324    HE1  HIS  46          1HE       HIS  46  -7.283   3.767   4.145
  325    H    CYS  47           H        CYS  47  -2.853  -1.675   1.913
  326    HA   CYS  47           HA       CYS  47  -1.320  -2.105  -0.507
  327    HB2  CYS  47          2HB       CYS  47  -2.021  -3.981   1.741
  328    HB3  CYS  47          1HB       CYS  47  -0.854  -4.264   0.453
  329    H    TYR  48           H        TYR  48  -2.230  -2.784  -2.278
  330    HA   TYR  48           HA       TYR  48  -4.813  -4.168  -2.149
  331    HB2  TYR  48          2HB       TYR  48  -3.616  -2.605  -4.440
  332    HB3  TYR  48          1HB       TYR  48  -5.204  -3.356  -4.414
  333    HD1  TYR  48          1HD       TYR  48  -3.161  -0.567  -3.289
  334    HD2  TYR  48          2HD       TYR  48  -7.049  -2.282  -3.203
  335    HE1  TYR  48          1HE       TYR  48  -4.070   1.546  -2.505
  336    HE2  TYR  48          2HE       TYR  48  -7.971  -0.158  -2.414
  337    HH   TYR  48           HH       TYR  48  -7.180   1.922  -1.261
  338    H    GLY  49           H        GLY  49  -4.884  -6.132  -3.104
  339    HA2  GLY  49          2HA       GLY  49  -2.682  -6.918  -4.827
  340    HA3  GLY  49          1HA       GLY  49  -2.897  -7.814  -3.329
  341    H    ASP  50           H        ASP  50  -2.981  -9.272  -5.341
  342    HA   ASP  50           HA       ASP  50  -5.744 -10.120  -5.462
  343    HB2  ASP  50          2HB       ASP  50  -5.336  -8.977  -7.635
  344    HB3  ASP  50          1HB       ASP  50  -3.909  -9.977  -7.883
  345    H    TYR  51           H        TYR  51  -5.780 -12.172  -4.868
  346    HA   TYR  51           HA       TYR  51  -3.380 -13.345  -3.946
  347    HB2  TYR  51          2HB       TYR  51  -6.140 -14.518  -4.183
  348    HB3  TYR  51          1HB       TYR  51  -4.803 -15.270  -3.324
  349    HD1  TYR  51          1HD       TYR  51  -3.905 -14.154  -1.273
  350    HD2  TYR  51          2HD       TYR  51  -7.470 -12.825  -3.171
  351    HE1  TYR  51          1HE       TYR  51  -4.546 -12.960   0.770
  352    HE2  TYR  51          2HE       TYR  51  -8.110 -11.628  -1.141
  353    HH   TYR  51           HH       TYR  51  -7.646 -11.739   1.293
  354    H    HIS  52           H        HIS  52  -1.926 -14.083  -5.323
  355    HA   HIS  52           HA       HIS  52  -2.765 -15.966  -7.384
  356    HB2  HIS  52          2HB       HIS  52  -0.185 -14.385  -7.059
  357    HB3  HIS  52          1HB       HIS  52  -0.395 -15.677  -8.221
  358    HD1  HIS  52          1HD       HIS  52  -1.951 -12.268  -7.446
  359    HD2  HIS  52          2HD       HIS  52  -1.314 -14.911 -10.586
  360    HE1  HIS  52          1HE       HIS  52  -2.676 -11.059  -9.518
  Start of MODEL    5
    1    H1   ALA   1           H        ALA   1  -4.135 -10.641 -10.011
    2    HA   ALA   1           HA       ALA   1  -3.067  -9.913 -12.666
    3    HB1  ALA   1          1HB       ALA   1  -5.794 -11.084 -12.194
    4    HB2  ALA   1          2HB       ALA   1  -4.448 -11.898 -12.993
    5    HB3  ALA   1          3HB       ALA   1  -5.178 -10.469 -13.726
    6    H    HIS   2           H        HIS   2  -5.734  -9.426 -10.288
    7    HA   HIS   2           HA       HIS   2  -5.798  -6.656 -11.205
    8    HB2  HIS   2          2HB       HIS   2  -7.785  -7.827 -12.014
    9    HB3  HIS   2          1HB       HIS   2  -8.141  -8.394 -10.393
   10    HD1  HIS   2          1HD       HIS   2 -10.317  -7.210  -9.885
   11    HD2  HIS   2          2HD       HIS   2  -7.422  -4.668 -11.456
   12    HE1  HIS   2          1HE       HIS   2 -11.301  -4.911  -9.800
   13    H    CYS   3           H        CYS   3  -5.220  -5.312  -9.707
   14    HA   CYS   3           HA       CYS   3  -5.151  -6.061  -6.906
   15    HB2  CYS   3          2HB       CYS   3  -4.469  -3.402  -8.173
   16    HB3  CYS   3          1HB       CYS   3  -3.923  -4.031  -6.625
   17    H    ASP   4           H        ASP   4  -7.139  -5.888  -5.922
   18    HA   ASP   4           HA       ASP   4  -8.635  -3.425  -6.511
   19    HB2  ASP   4          2HB       ASP   4  -9.713  -5.228  -7.739
   20    HB3  ASP   4          1HB       ASP   4  -9.874  -6.161  -6.256
   21    H    HIS   5           H        HIS   5  -8.689  -6.195  -4.298
   22    HA   HIS   5           HA       HIS   5  -9.850  -4.487  -2.272
   23    HB2  HIS   5          2HB       HIS   5 -10.713  -6.804  -2.790
   24    HB3  HIS   5          1HB       HIS   5  -9.216  -7.429  -2.108
   25    HD1  HIS   5          1HD       HIS   5  -9.590  -8.222   0.271
   26    HD2  HIS   5          2HD       HIS   5 -11.968  -4.951  -0.716
   27    HE1  HIS   5          1HE       HIS   5 -11.009  -7.766   2.279
   28    H    PHE   6           H        PHE   6  -9.034  -4.360  -0.191
   29    HA   PHE   6           HA       PHE   6  -6.219  -3.880  -0.088
   30    HB2  PHE   6          2HB       PHE   6  -8.271  -3.764   2.134
   31    HB3  PHE   6          1HB       PHE   6  -6.663  -3.060   2.155
   32    HD1  PHE   6          1HD       PHE   6 -10.107  -2.702   1.011
   33    HD2  PHE   6          2HD       PHE   6  -6.192  -1.003   0.868
   34    HE1  PHE   6          1HE       PHE   6 -11.047  -0.604   0.169
   35    HE2  PHE   6          2HE       PHE   6  -7.148   1.094   0.028
   36    HZ   PHE   6           HZ       PHE   6  -9.568   1.299  -0.323
   37    H    LEU   7           H        LEU   7  -4.758  -5.145   0.804
   38    HA   LEU   7           HA       LEU   7  -5.533  -7.703   2.022
   39    HB2  LEU   7          2HB       LEU   7  -2.836  -6.558   1.354
   40    HB3  LEU   7          1HB       LEU   7  -3.127  -8.168   1.971
   41    HG   LEU   7           HG       LEU   7  -4.066  -7.131  -0.695
   42   HD11  LEU   7          1HD1      LEU   7  -2.329  -8.693  -1.527
   43   HD12  LEU   7          2HD1      LEU   7  -1.790  -8.889   0.140
   44   HD13  LEU   7          3HD1      LEU   7  -1.714  -7.306  -0.637
   45   HD21  LEU   7          1HD2      LEU   7  -4.133  -9.902   0.507
   46   HD22  LEU   7          2HD2      LEU   7  -4.575  -9.486  -1.148
   47   HD23  LEU   7          3HD2      LEU   7  -5.535  -8.875   0.197
   48    H    GLY   8           H        GLY   8  -4.508  -4.558   2.779
   49    HA2  GLY   8          2HA       GLY   8  -4.988  -4.533   5.395
   50    HA3  GLY   8          1HA       GLY   8  -3.355  -5.187   5.285
   51    H    GLU   9           H        GLU   9  -3.363  -3.049   6.548
   52    HA   GLU   9           HA       GLU   9  -2.653  -0.848   4.738
   53    HB2  GLU   9          2HB       GLU   9  -3.275  -0.855   7.687
   54    HB3  GLU   9          1HB       GLU   9  -2.985   0.556   6.683
   55    HG2  GLU   9          2HG       GLU   9  -5.022   0.265   5.532
   56    HG3  GLU   9          1HG       GLU   9  -5.263  -1.341   6.227
   57    H    ALA  10           H        ALA  10  -0.633   0.076   5.133
   58    HA   ALA  10           HA       ALA  10   1.057  -1.212   7.142
   59    HB1  ALA  10          1HB       ALA  10   2.927  -1.234   5.529
   60    HB2  ALA  10          2HB       ALA  10   1.841  -0.657   4.265
   61    HB3  ALA  10          3HB       ALA  10   1.588  -2.242   4.989
   62    HA   PRO  11           HA       PRO  11   2.192   3.065   7.787
   63    HB2  PRO  11          2HB       PRO  11   4.387   2.769   9.301
   64    HB3  PRO  11          1HB       PRO  11   2.786   2.366   9.925
   65    HG2  PRO  11          2HG       PRO  11   4.946   0.560   8.942
   66    HG3  PRO  11          1HG       PRO  11   3.805   0.321  10.274
   67    HD2  PRO  11          2HD       PRO  11   3.554  -0.773   7.735
   68    HD3  PRO  11          1HD       PRO  11   2.232  -0.581   8.900
   69    H    VAL  12           H        VAL  12   3.553   4.605   6.799
   70    HA   VAL  12           HA       VAL  12   5.997   3.716   5.583
   71    HB   VAL  12           HB       VAL  12   4.329   3.035   3.895
   72   HG11  VAL  12          1HG1      VAL  12   3.610   5.947   3.712
   73   HG12  VAL  12          2HG1      VAL  12   2.580   4.646   4.309
   74   HG13  VAL  12          3HG1      VAL  12   3.064   4.683   2.610
   75   HG21  VAL  12          1HG2      VAL  12   6.048   5.347   2.989
   76   HG22  VAL  12          2HG2      VAL  12   5.336   4.129   1.929
   77   HG23  VAL  12          3HG2      VAL  12   6.551   3.663   3.119
   78    H    TYR  13           H        TYR  13   7.444   5.266   5.423
   79    HA   TYR  13           HA       TYR  13   6.799   7.978   4.861
   80    HB2  TYR  13          2HB       TYR  13   6.562   7.884   7.384
   81    HB3  TYR  13          1HB       TYR  13   8.240   7.356   7.472
   82    HD1  TYR  13          1HD       TYR  13   6.016  10.173   6.689
   83    HD2  TYR  13          2HD       TYR  13  10.062   8.941   7.142
   84    HE1  TYR  13          1HE       TYR  13   6.730  12.518   6.657
   85    HE2  TYR  13          2HE       TYR  13  10.779  11.283   7.112
   86    HH   TYR  13           HH       TYR  13   9.969  13.405   6.264
   87    HA   PRO  14           HA       PRO  14   7.856   9.678   4.167
   88    HB2  PRO  14          2HB       PRO  14   9.141  10.060   1.597
   89    HB3  PRO  14          1HB       PRO  14   9.270  11.052   3.049
   90    HG2  PRO  14          2HG       PRO  14  11.336   9.572   2.064
   91    HG3  PRO  14          1HG       PRO  14  11.152   9.974   3.780
   92    HD2  PRO  14          2HD       PRO  14  10.453   7.438   2.342
   93    HD3  PRO  14          1HD       PRO  14  11.244   7.656   3.919
   94    H    CYS  15           H        CYS  15   6.245  10.291   2.581
   95    HA   CYS  15           HA       CYS  15   4.931   7.952   1.577
   96    HB2  CYS  15          2HB       CYS  15   3.664   9.703   2.729
   97    HB3  CYS  15          1HB       CYS  15   4.082  10.838   1.454
   98    H    LYS  16           H        LYS  16   4.928   7.197  -0.424
   99    HA   LYS  16           HA       LYS  16   4.767   8.816  -2.649
  100    HB2  LYS  16          2HB       LYS  16   7.315   8.706  -2.129
  101    HB3  LYS  16          1HB       LYS  16   7.196   7.018  -2.605
  102    HG2  LYS  16          2HG       LYS  16   7.949   8.333  -4.475
  103    HG3  LYS  16          1HG       LYS  16   6.310   7.743  -4.798
  104    HD2  LYS  16          2HD       LYS  16   5.410   9.868  -3.995
  105    HD3  LYS  16          1HD       LYS  16   7.032  10.462  -3.737
  106    HE2  LYS  16          2HE       LYS  16   6.273  11.355  -5.842
  107    HE3  LYS  16          1HE       LYS  16   7.473  10.114  -6.186
  108    HZ1  LYS  16          1HZ       LYS  16   4.525   9.827  -6.382
  109    HZ2  LYS  16          2HZ       LYS  16   5.607   8.564  -6.659
  110    HZ3  LYS  16          3HZ       LYS  16   5.604   9.922  -7.661
  111    H    GLU  17           H        GLU  17   3.884   7.550  -4.303
  112    HA   GLU  17           HA       GLU  17   2.668   5.223  -3.542
  113    HB2  GLU  17          2HB       GLU  17   2.310   4.893  -6.127
  114    HB3  GLU  17          1HB       GLU  17   1.446   6.111  -5.213
  115    HG2  GLU  17          2HG       GLU  17   2.154   6.955  -7.313
  116    HG3  GLU  17          1HG       GLU  17   3.013   7.808  -6.046
  117    H    LYS  18           H        LYS  18   5.573   5.433  -5.559
  118    HA   LYS  18           HA       LYS  18   5.851   2.649  -5.836
  119    HB2  LYS  18          2HB       LYS  18   7.976   4.782  -5.846
  120    HB3  LYS  18          1HB       LYS  18   8.305   3.095  -6.202
  121    HG2  LYS  18          2HG       LYS  18   6.693   3.222  -8.065
  122    HG3  LYS  18          1HG       LYS  18   6.508   4.946  -7.738
  123    HD2  LYS  18          2HD       LYS  18   8.902   5.278  -8.143
  124    HD3  LYS  18          1HD       LYS  18   9.084   3.553  -8.452
  125    HE2  LYS  18          2HE       LYS  18   7.352   5.439 -10.036
  126    HE3  LYS  18          1HE       LYS  18   8.941   4.855 -10.523
  127    HZ1  LYS  18          1HZ       LYS  18   8.017   2.581 -10.491
  128    HZ2  LYS  18          2HZ       LYS  18   7.252   3.583 -11.593
  129    HZ3  LYS  18          3HZ       LYS  18   6.489   3.211 -10.137
  130    H    ALA  19           H        ALA  19   6.867   4.772  -3.268
  131    HA   ALA  19           HA       ALA  19   8.465   2.917  -1.866
  132    HB1  ALA  19          1HB       ALA  19   8.505   5.329  -1.361
  133    HB2  ALA  19          2HB       ALA  19   8.151   4.378   0.083
  134    HB3  ALA  19          3HB       ALA  19   6.851   5.223  -0.752
  135    H    CYS  20           H        CYS  20   5.085   3.841  -1.531
  136    HA   CYS  20           HA       CYS  20   4.418   2.000   0.488
  137    HB2  CYS  20          2HB       CYS  20   3.054   3.960   0.003
  138    HB3  CYS  20          1HB       CYS  20   2.700   3.348  -1.605
  139    H    LYS  21           H        LYS  21   4.289   1.812  -3.042
  140    HA   LYS  21           HA       LYS  21   2.973  -0.638  -3.259
  141    HB2  LYS  21          2HB       LYS  21   3.337   1.064  -5.048
  142    HB3  LYS  21          1HB       LYS  21   5.008   0.546  -5.138
  143    HG2  LYS  21          2HG       LYS  21   4.359  -1.607  -5.956
  144    HG3  LYS  21          1HG       LYS  21   2.650  -1.244  -5.678
  145    HD2  LYS  21          2HD       LYS  21   2.808   0.625  -7.251
  146    HD3  LYS  21          1HD       LYS  21   4.485   0.205  -7.587
  147    HE2  LYS  21          2HE       LYS  21   3.787  -1.936  -8.474
  148    HE3  LYS  21          1HE       LYS  21   2.109  -1.590  -8.059
  149    HZ1  LYS  21          1HZ       LYS  21   3.764  -0.097 -10.025
  150    HZ2  LYS  21          2HZ       LYS  21   2.183   0.297  -9.602
  151    HZ3  LYS  21          3HZ       LYS  21   2.508  -1.160 -10.380
  152    H    SER  22           H        SER  22   6.370   0.111  -2.703
  153    HA   SER  22           HA       SER  22   7.170  -2.621  -3.018
  154    HB2  SER  22          2HB       SER  22   8.764  -0.684  -3.330
  155    HB3  SER  22          1HB       SER  22   8.687  -0.415  -1.590
  156    HG   SER  22           HG       SER  22   9.781  -2.296  -1.225
  157    H    VAL  23           H        VAL  23   6.540  -0.423  -0.289
  158    HA   VAL  23           HA       VAL  23   7.072  -2.105   1.851
  159    HB   VAL  23           HB       VAL  23   4.919   0.042   1.618
  160   HG11  VAL  23          1HG1      VAL  23   4.389  -1.460   3.477
  161   HG12  VAL  23          2HG1      VAL  23   4.911   0.118   4.068
  162   HG13  VAL  23          3HG1      VAL  23   6.019  -1.251   4.116
  163   HG21  VAL  23          1HG2      VAL  23   6.514   1.445   2.815
  164   HG22  VAL  23          2HG2      VAL  23   7.200   0.840   1.300
  165   HG23  VAL  23          3HG2      VAL  23   7.664   0.109   2.837
  166    H    CYS  24           H        CYS  24   4.037  -1.689   0.104
  167    HA   CYS  24           HA       CYS  24   2.549  -3.538   1.461
  168    HB2  CYS  24          2HB       CYS  24   2.388  -2.528  -1.341
  169    HB3  CYS  24          1HB       CYS  24   1.250  -3.730  -0.726
  170    H    LYS  25           H        LYS  25   4.736  -4.163  -1.258
  171    HA   LYS  25           HA       LYS  25   3.914  -6.915  -1.364
  172    HB2  LYS  25          2HB       LYS  25   6.321  -5.568  -2.591
  173    HB3  LYS  25          1HB       LYS  25   5.810  -7.219  -2.917
  174    HG2  LYS  25          2HG       LYS  25   3.666  -6.317  -3.779
  175    HG3  LYS  25          1HG       LYS  25   4.324  -4.692  -3.578
  176    HD2  LYS  25          2HD       LYS  25   6.158  -5.256  -5.102
  177    HD3  LYS  25          1HD       LYS  25   5.484  -6.875  -5.310
  178    HE2  LYS  25          2HE       LYS  25   3.407  -5.847  -6.146
  179    HE3  LYS  25          1HE       LYS  25   4.180  -4.265  -6.065
  180    HZ1  LYS  25          1HZ       LYS  25   5.868  -5.136  -7.628
  181    HZ2  LYS  25          2HZ       LYS  25   4.324  -5.114  -8.286
  182    HZ3  LYS  25          3HZ       LYS  25   4.986  -6.565  -7.749
  183    H    GLU  26           H        GLU  26   6.267  -5.088   0.358
  184    HA   GLU  26           HA       GLU  26   7.769  -7.409   1.077
  185    HB2  GLU  26          2HB       GLU  26   7.964  -4.564   2.064
  186    HB3  GLU  26          1HB       GLU  26   9.083  -5.856   2.503
  187    HG2  GLU  26          2HG       GLU  26   9.591  -6.160   0.086
  188    HG3  GLU  26          1HG       GLU  26   8.571  -4.772  -0.251
  189    H    HIS  27           H        HIS  27   5.034  -5.817   2.337
  190    HA   HIS  27           HA       HIS  27   5.258  -7.445   4.775
  191    HB2  HIS  27          2HB       HIS  27   3.305  -5.233   4.100
  192    HB3  HIS  27          1HB       HIS  27   3.192  -6.218   5.548
  193    HD1  HIS  27          1HD       HIS  27   4.483  -5.347   7.566
  194    HD2  HIS  27          2HD       HIS  27   5.706  -3.663   3.980
  195    HE1  HIS  27          1HE       HIS  27   6.070  -3.506   8.182
  196    H    TYR  28           H        TYR  28   3.204  -7.036   1.928
  197    HA   TYR  28           HA       TYR  28   1.722  -9.452   2.695
  198    HB2  TYR  28          2HB       TYR  28   0.716  -7.101   1.058
  199    HB3  TYR  28          1HB       TYR  28  -0.225  -8.497   1.569
  200    HD1  TYR  28          1HD       TYR  28  -0.914  -8.717   3.943
  201    HD2  TYR  28          2HD       TYR  28   1.161  -5.280   2.546
  202    HE1  TYR  28          1HE       TYR  28  -1.522  -7.518   5.985
  203    HE2  TYR  28          2HE       TYR  28   0.559  -4.075   4.581
  204    HH   TYR  28           HH       TYR  28  -0.992  -4.130   6.429
  205    H    HIS  29           H        HIS  29   2.265 -11.054   1.361
  206    HA   HIS  29           HA       HIS  29   3.922 -10.609  -0.873
  207    HB2  HIS  29          2HB       HIS  29   2.507 -13.133  -0.019
  208    HB3  HIS  29          1HB       HIS  29   3.767 -13.050  -1.245
  209    HD1  HIS  29          1HD       HIS  29   3.418 -13.943   2.178
  210    HD2  HIS  29          2HD       HIS  29   6.194 -11.720   0.018
  211    HE1  HIS  29          1HE       HIS  29   5.488 -13.889   3.582
  212    H    HIS  30           H        HIS  30   0.475 -10.958  -0.604
  213    HA   HIS  30           HA       HIS  30   0.170 -11.495  -3.435
  214    HB2  HIS  30          2HB       HIS  30  -1.833 -11.126  -1.223
  215    HB3  HIS  30          1HB       HIS  30  -2.312 -11.228  -2.908
  216    HD1  HIS  30          1HD       HIS  30  -2.574 -13.486  -3.853
  217    HD2  HIS  30          2HD       HIS  30  -0.539 -13.500  -0.250
  218    HE1  HIS  30          1HE       HIS  30  -2.297 -15.947  -3.206
  219    H    ALA  31           H        ALA  31   1.028  -8.797  -1.963
  220    HA   ALA  31           HA       ALA  31  -0.935  -6.996  -3.018
  221    HB1  ALA  31          1HB       ALA  31   0.493  -5.219  -2.191
  222    HB2  ALA  31          2HB       ALA  31   1.772  -6.382  -1.848
  223    HB3  ALA  31          3HB       ALA  31   0.256  -6.448  -0.951
  224    H    CYS  32           H        CYS  32  -0.862  -5.872  -4.792
  225    HA   CYS  32           HA       CYS  32   1.533  -6.132  -6.424
  226    HB2  CYS  32          2HB       CYS  32  -0.060  -6.064  -8.412
  227    HB3  CYS  32          1HB       CYS  32   0.005  -7.544  -7.457
  228    H    LYS  33           H        LYS  33  -0.897  -4.043  -5.129
  229    HA   LYS  33           HA       LYS  33   0.538  -1.786  -6.297
  230    HB2  LYS  33          2HB       LYS  33  -1.594  -2.101  -7.566
  231    HB3  LYS  33          1HB       LYS  33  -2.487  -1.968  -6.064
  232    HG2  LYS  33          2HG       LYS  33  -1.487   0.328  -5.784
  233    HG3  LYS  33          1HG       LYS  33  -0.868   0.180  -7.423
  234    HD2  LYS  33          2HD       LYS  33  -3.771   0.080  -6.592
  235    HD3  LYS  33          1HD       LYS  33  -2.965   1.437  -7.363
  236    HE2  LYS  33          2HE       LYS  33  -2.562   0.046  -9.357
  237    HE3  LYS  33          1HE       LYS  33  -3.393  -1.300  -8.575
  238    HZ1  LYS  33          1HZ       LYS  33  -4.570   1.315  -9.319
  239    HZ2  LYS  33          2HZ       LYS  33  -5.362   0.154  -8.421
  240    HZ3  LYS  33          3HZ       LYS  33  -4.948  -0.183 -10.013
  241    H    GLY  34           H        GLY  34   0.779  -0.109  -4.832
  242    HA2  GLY  34          2HA       GLY  34  -0.630  -0.347  -2.293
  243    HA3  GLY  34          1HA       GLY  34   1.126  -0.152  -2.311
  244    H    GLU  35           H        GLU  35  -1.522   1.563  -1.816
  245    HA   GLU  35           HA       GLU  35  -0.366   3.848  -3.210
  246    HB2  GLU  35          2HB       GLU  35  -2.614   3.214  -4.097
  247    HB3  GLU  35          1HB       GLU  35  -3.292   3.593  -2.515
  248    HG2  GLU  35          2HG       GLU  35  -3.536   5.424  -4.181
  249    HG3  GLU  35          1HG       GLU  35  -2.663   5.892  -2.720
  250    H    CYS  36           H        CYS  36  -0.073   5.656  -2.214
  251    HA   CYS  36           HA       CYS  36   0.144   5.445   0.699
  252    HB2  CYS  36          2HB       CYS  36   2.105   5.872  -0.915
  253    HB3  CYS  36          1HB       CYS  36   1.399   7.456  -1.172
  254    H    GLU  37           H        GLU  37  -1.797   6.241   1.533
  255    HA   GLU  37           HA       GLU  37  -2.743   8.795   0.410
  256    HB2  GLU  37          2HB       GLU  37  -4.454   6.520   1.365
  257    HB3  GLU  37          1HB       GLU  37  -5.043   8.077   0.804
  258    HG2  GLU  37          2HG       GLU  37  -3.983   7.581  -1.398
  259    HG3  GLU  37          1HG       GLU  37  -3.629   5.965  -0.785
  260    H    TYR  38           H        TYR  38  -3.142  10.352   1.795
  261    HA   TYR  38           HA       TYR  38  -2.494   9.929   4.537
  262    HB2  TYR  38          2HB       TYR  38  -3.247  12.394   2.997
  263    HB3  TYR  38          1HB       TYR  38  -3.000  12.409   4.738
  264    HD1  TYR  38          1HD       TYR  38  -1.306  11.811   1.487
  265    HD2  TYR  38          2HD       TYR  38  -0.837  12.374   5.673
  266    HE1  TYR  38          1HE       TYR  38   1.097  12.072   1.171
  267    HE2  TYR  38          2HE       TYR  38   1.574  12.642   5.374
  268    HH   TYR  38           HH       TYR  38   2.989  13.110   2.334
  269    H    HIS  39           H        HIS  39  -3.690   9.650   6.176
  270    HA   HIS  39           HA       HIS  39  -6.515  10.242   6.108
  271    HB2  HIS  39          2HB       HIS  39  -5.365   7.483   6.618
  272    HB3  HIS  39          1HB       HIS  39  -6.964   7.960   7.169
  273    HD1  HIS  39          1HD       HIS  39  -5.053   7.102   4.032
  274    HD2  HIS  39          2HD       HIS  39  -8.907   8.123   5.206
  275    HE1  HIS  39          1HE       HIS  39  -6.546   6.633   2.046
  276    H    GLY  40           H        GLY  40  -7.154  11.007   8.003
  277    HA2  GLY  40          2HA       GLY  40  -7.034  11.665  10.194
  278    HA3  GLY  40          1HA       GLY  40  -5.767  10.460  10.441
  279    H    ARG  41           H        ARG  41  -3.858  11.277  10.915
  280    HA   ARG  41           HA       ARG  41  -3.192  13.897   9.762
  281    HB2  ARG  41          2HB       ARG  41  -2.338  12.776  12.430
  282    HB3  ARG  41          1HB       ARG  41  -1.811  14.316  11.763
  283    HG2  ARG  41          2HG       ARG  41  -4.061  15.164  11.808
  284    HG3  ARG  41          1HG       ARG  41  -4.674  13.604  12.345
  285    HD2  ARG  41          2HD       ARG  41  -3.327  13.835  14.401
  286    HD3  ARG  41          1HD       ARG  41  -2.831  15.442  13.855
  287    HE   ARG  41           HE       ARG  41  -5.521  15.528  13.727
  288   HH11  ARG  41          1HH1      ARG  41  -3.258  14.807  16.341
  289   HH12  ARG  41          2HH1      ARG  41  -4.326  15.271  17.586
  290   HH21  ARG  41          1HH2      ARG  41  -6.964  16.174  15.389
  291   HH22  ARG  41          2HH2      ARG  41  -6.513  16.061  17.026
  292    H    GLU  42           H        GLU  42  -2.539  10.747   9.397
  293    HA   GLU  42           HA       GLU  42   0.173  11.353   8.564
  294    HB2  GLU  42          2HB       GLU  42   0.975   9.175   9.325
  295    HB3  GLU  42          1HB       GLU  42   0.393  10.144  10.664
  296    HG2  GLU  42          2HG       GLU  42  -1.692   8.848  10.664
  297    HG3  GLU  42          1HG       GLU  42  -1.053   7.857   9.350
  298    H    VAL  43           H        VAL  43   0.789   8.924   7.428
  299    HA   VAL  43           HA       VAL  43  -1.284   8.815   5.399
  300    HB   VAL  43           HB       VAL  43   0.741   9.931   4.586
  301   HG11  VAL  43          1HG1      VAL  43   2.828   8.688   4.267
  302   HG12  VAL  43          2HG1      VAL  43   2.145   7.350   5.188
  303   HG13  VAL  43          3HG1      VAL  43   2.417   8.910   5.968
  304   HG21  VAL  43          1HG2      VAL  43   0.282   7.227   3.371
  305   HG22  VAL  43          2HG2      VAL  43   1.099   8.576   2.585
  306   HG23  VAL  43          3HG2      VAL  43  -0.607   8.706   3.015
  307    H    HIS  44           H        HIS  44  -1.963   6.896   4.668
  308    HA   HIS  44           HA       HIS  44  -0.894   4.566   6.071
  309    HB2  HIS  44          2HB       HIS  44  -3.694   5.043   5.003
  310    HB3  HIS  44          1HB       HIS  44  -3.133   3.530   5.698
  311    HD1  HIS  44          1HD       HIS  44  -5.537   4.850   6.992
  312    HD2  HIS  44          2HD       HIS  44  -1.625   5.634   8.157
  313    HE1  HIS  44          1HE       HIS  44  -5.672   5.733   9.352
  314    H    CYS  45           H        CYS  45  -0.274   2.883   4.883
  315    HA   CYS  45           HA       CYS  45  -0.132   3.268   2.010
  316    HB2  CYS  45          2HB       CYS  45   1.896   2.762   3.401
  317    HB3  CYS  45          1HB       CYS  45   1.160   1.242   3.861
  318    H    HIS  46           H        HIS  46  -1.867   2.486   0.984
  319    HA   HIS  46           HA       HIS  46  -3.379   0.283   2.116
  320    HB2  HIS  46          2HB       HIS  46  -3.923   2.203  -0.136
  321    HB3  HIS  46          1HB       HIS  46  -4.897   0.760   0.103
  322    HD1  HIS  46          1HD       HIS  46  -5.709   3.971   0.508
  323    HD2  HIS  46          2HD       HIS  46  -5.150   0.982   3.363
  324    HE1  HIS  46          1HE       HIS  46  -7.086   4.612   2.477
  325    H    CYS  47           H        CYS  47  -2.848  -1.635   1.654
  326    HA   CYS  47           HA       CYS  47  -1.328  -2.176  -0.739
  327    HB2  CYS  47          2HB       CYS  47  -1.988  -3.898   1.637
  328    HB3  CYS  47          1HB       CYS  47  -0.844  -4.293   0.349
  329    H    TYR  48           H        TYR  48  -2.445  -2.603  -2.469
  330    HA   TYR  48           HA       TYR  48  -5.016  -3.993  -2.296
  331    HB2  TYR  48          2HB       TYR  48  -3.654  -2.694  -4.666
  332    HB3  TYR  48          1HB       TYR  48  -5.282  -3.347  -4.649
  333    HD1  TYR  48          1HD       TYR  48  -3.168  -0.506  -3.845
  334    HD2  TYR  48          2HD       TYR  48  -7.073  -2.138  -3.402
  335    HE1  TYR  48          1HE       TYR  48  -4.017   1.705  -3.247
  336    HE2  TYR  48          2HE       TYR  48  -7.928   0.077  -2.799
  337    HH   TYR  48           HH       TYR  48  -6.199   2.929  -3.277
  338    H    GLY  49           H        GLY  49  -5.168  -6.052  -3.028
  339    HA2  GLY  49          2HA       GLY  49  -2.782  -7.124  -4.358
  340    HA3  GLY  49          1HA       GLY  49  -3.426  -7.906  -2.925
  341    H    ASP  50           H        ASP  50  -3.252  -9.562  -4.686
  342    HA   ASP  50           HA       ASP  50  -5.897  -9.857  -5.931
  343    HB2  ASP  50          2HB       ASP  50  -4.150  -9.356  -7.625
  344    HB3  ASP  50          1HB       ASP  50  -3.211 -10.717  -7.039
  345    H    TYR  51           H        TYR  51  -6.877 -11.544  -4.974
  346    HA   TYR  51           HA       TYR  51  -5.361 -13.369  -3.371
  347    HB2  TYR  51          2HB       TYR  51  -8.312 -13.324  -4.069
  348    HB3  TYR  51          1HB       TYR  51  -7.585 -14.411  -2.894
  349    HD1  TYR  51          1HD       TYR  51  -9.114 -11.233  -3.409
  350    HD2  TYR  51          2HD       TYR  51  -6.410 -13.307  -0.874
  351    HE1  TYR  51          1HE       TYR  51  -9.454  -9.543  -1.689
  352    HE2  TYR  51          2HE       TYR  51  -6.735 -11.631   0.867
  353    HH   TYR  51           HH       TYR  51  -7.455  -9.262   1.050
  354    H    HIS  52           H        HIS  52  -4.274 -14.880  -4.267
  355    HA   HIS  52           HA       HIS  52  -5.331 -16.499  -6.418
  356    HB2  HIS  52          2HB       HIS  52  -4.205 -14.639  -7.576
  357    HB3  HIS  52          1HB       HIS  52  -2.783 -14.852  -6.578
  358    HD1  HIS  52          1HD       HIS  52  -0.939 -16.041  -7.773
  359    HD2  HIS  52          2HD       HIS  52  -4.690 -17.128  -9.206
  360    HE1  HIS  52          1HE       HIS  52  -0.521 -17.616  -9.683
  Start of MODEL    6
    1    H1   ALA   1           H        ALA   1  -8.255 -10.000 -10.743
    2    HA   ALA   1           HA       ALA   1  -5.561 -10.803 -11.189
    3    HB1  ALA   1          1HB       ALA   1  -6.428 -11.480 -13.391
    4    HB2  ALA   1          2HB       ALA   1  -5.245 -10.179 -13.502
    5    HB3  ALA   1          3HB       ALA   1  -6.962  -9.823 -13.664
    6    H    HIS   2           H        HIS   2  -7.910  -8.440 -10.532
    7    HA   HIS   2           HA       HIS   2  -6.254  -6.190 -11.249
    8    HB2  HIS   2          2HB       HIS   2  -8.908  -6.377  -9.824
    9    HB3  HIS   2          1HB       HIS   2  -8.056  -4.869 -10.092
   10    HD1  HIS   2          1HD       HIS   2 -10.832  -6.474 -11.414
   11    HD2  HIS   2          2HD       HIS   2  -7.409  -4.864 -13.136
   12    HE1  HIS   2          1HE       HIS   2 -11.432  -5.970 -13.801
   13    H    CYS   3           H        CYS   3  -5.329  -4.756  -9.798
   14    HA   CYS   3           HA       CYS   3  -4.709  -5.847  -7.192
   15    HB2  CYS   3          2HB       CYS   3  -3.798  -3.290  -8.548
   16    HB3  CYS   3          1HB       CYS   3  -3.181  -3.903  -7.016
   17    H    ASP   4           H        ASP   4  -6.827  -5.744  -6.466
   18    HA   ASP   4           HA       ASP   4  -7.821  -3.024  -5.861
   19    HB2  ASP   4          2HB       ASP   4  -9.144  -3.965  -7.651
   20    HB3  ASP   4          1HB       ASP   4  -9.429  -5.428  -6.726
   21    H    HIS   5           H        HIS   5  -7.447  -6.323  -4.803
   22    HA   HIS   5           HA       HIS   5  -9.106  -6.112  -2.516
   23    HB2  HIS   5          2HB       HIS   5  -8.630  -8.275  -3.587
   24    HB3  HIS   5          1HB       HIS   5  -6.929  -8.111  -3.181
   25    HD1  HIS   5          1HD       HIS   5  -6.299  -8.465  -0.620
   26    HD2  HIS   5          2HD       HIS   5 -10.281  -9.155  -1.563
   27    HE1  HIS   5          1HE       HIS   5  -7.275  -9.699   1.344
   28    H    PHE   6           H        PHE   6  -8.678  -5.163  -0.708
   29    HA   PHE   6           HA       PHE   6  -6.182  -3.969  -0.046
   30    HB2  PHE   6          2HB       PHE   6  -8.563  -4.548   1.738
   31    HB3  PHE   6          1HB       PHE   6  -7.215  -3.503   2.135
   32    HD1  PHE   6          1HD       PHE   6  -7.058  -1.266   1.184
   33    HD2  PHE   6          2HD       PHE   6 -10.309  -3.846   0.230
   34    HE1  PHE   6          1HE       PHE   6  -8.324   0.646   0.328
   35    HE2  PHE   6          2HE       PHE   6 -11.573  -1.929  -0.640
   36    HZ   PHE   6           HZ       PHE   6 -10.584   0.324  -0.588
   37    H    LEU   7           H        LEU   7  -4.528  -5.336   0.318
   38    HA   LEU   7           HA       LEU   7  -4.851  -7.864   1.664
   39    HB2  LEU   7          2HB       LEU   7  -2.356  -6.301   1.031
   40    HB3  LEU   7          1HB       LEU   7  -2.409  -7.971   1.550
   41    HG   LEU   7           HG       LEU   7  -3.541  -6.935  -1.046
   42   HD11  LEU   7          1HD1      LEU   7  -1.034  -8.467  -0.435
   43   HD12  LEU   7          2HD1      LEU   7  -1.134  -6.786  -0.965
   44   HD13  LEU   7          3HD1      LEU   7  -1.646  -8.084  -2.042
   45   HD21  LEU   7          1HD2      LEU   7  -3.732  -9.282  -1.630
   46   HD22  LEU   7          2HD2      LEU   7  -4.681  -8.935  -0.183
   47   HD23  LEU   7          3HD2      LEU   7  -3.123  -9.743  -0.044
   48    H    GLY   8           H        GLY   8  -3.943  -4.625   2.451
   49    HA2  GLY   8          2HA       GLY   8  -4.594  -4.608   5.037
   50    HA3  GLY   8          1HA       GLY   8  -2.950  -5.245   5.037
   51    H    GLU   9           H        GLU   9  -2.443  -3.319   6.182
   52    HA   GLU   9           HA       GLU   9  -2.010  -1.080   4.375
   53    HB2  GLU   9          2HB       GLU   9  -2.253   0.421   6.384
   54    HB3  GLU   9          1HB       GLU   9  -3.741  -0.341   5.848
   55    HG2  GLU   9          2HG       GLU   9  -3.533  -1.997   7.634
   56    HG3  GLU   9          1HG       GLU   9  -2.044  -1.227   8.173
   57    H    ALA  10           H        ALA  10   0.010  -0.561   4.172
   58    HA   ALA  10           HA       ALA  10   1.963  -1.819   5.933
   59    HB1  ALA  10          1HB       ALA  10   2.336  -0.465   3.259
   60    HB2  ALA  10          2HB       ALA  10   2.228  -2.204   3.528
   61    HB3  ALA  10          3HB       ALA  10   3.590  -1.293   4.181
   62    HA   PRO  11           HA       PRO  11   2.782   2.177   7.687
   63    HB2  PRO  11          2HB       PRO  11   5.011   1.555   9.091
   64    HB3  PRO  11          1HB       PRO  11   3.402   1.033   9.601
   65    HG2  PRO  11          2HG       PRO  11   5.540  -0.512   8.208
   66    HG3  PRO  11          1HG       PRO  11   4.422  -1.043   9.473
   67    HD2  PRO  11          2HD       PRO  11   4.102  -1.573   6.789
   68    HD3  PRO  11          1HD       PRO  11   2.778  -1.537   7.968
   69    H    VAL  12           H        VAL  12   3.392   3.516   6.060
   70    HA   VAL  12           HA       VAL  12   6.194   3.393   5.220
   71    HB   VAL  12           HB       VAL  12   3.949   4.192   3.349
   72   HG11  VAL  12          1HG1      VAL  12   5.636   4.052   1.605
   73   HG12  VAL  12          2HG1      VAL  12   6.823   3.513   2.785
   74   HG13  VAL  12          3HG1      VAL  12   6.176   5.144   2.890
   75   HG21  VAL  12          1HG2      VAL  12   3.709   1.798   3.827
   76   HG22  VAL  12          2HG2      VAL  12   5.407   1.550   3.411
   77   HG23  VAL  12          3HG2      VAL  12   4.265   2.066   2.173
   78    H    TYR  13           H        TYR  13   6.993   5.144   6.193
   79    HA   TYR  13           HA       TYR  13   5.789   7.642   5.408
   80    HB2  TYR  13          2HB       TYR  13   5.118   7.338   7.784
   81    HB3  TYR  13          1HB       TYR  13   6.813   7.160   8.235
   82    HD1  TYR  13          1HD       TYR  13   8.288   9.101   8.338
   83    HD2  TYR  13          2HD       TYR  13   4.244   9.534   7.086
   84    HE1  TYR  13          1HE       TYR  13   8.501  11.529   8.510
   85    HE2  TYR  13          2HE       TYR  13   4.459  11.972   7.263
   86    HH   TYR  13           HH       TYR  13   7.404  13.527   7.523
   87    HA   PRO  14           HA       PRO  14   6.220   9.467   4.799
   88    HB2  PRO  14          2HB       PRO  14   7.635  10.253   2.376
   89    HB3  PRO  14          1HB       PRO  14   7.133  11.246   3.755
   90    HG2  PRO  14          2HG       PRO  14   9.746  10.698   3.219
   91    HG3  PRO  14          1HG       PRO  14   9.119  10.992   4.849
   92    HD2  PRO  14          2HD       PRO  14   9.714   8.387   3.495
   93    HD3  PRO  14          1HD       PRO  14  10.096   8.908   5.152
   94    H    CYS  15           H        CYS  15   4.574   8.916   3.479
   95    HA   CYS  15           HA       CYS  15   4.863   6.421   2.083
   96    HB2  CYS  15          2HB       CYS  15   2.939   6.944   3.605
   97    HB3  CYS  15          1HB       CYS  15   2.391   8.116   2.412
   98    H    LYS  16           H        LYS  16   5.375   6.293   0.069
   99    HA   LYS  16           HA       LYS  16   4.342   8.284  -1.787
  100    HB2  LYS  16          2HB       LYS  16   7.131   7.105  -1.827
  101    HB3  LYS  16          1HB       LYS  16   6.439   8.113  -3.090
  102    HG2  LYS  16          2HG       LYS  16   6.974   8.960  -0.254
  103    HG3  LYS  16          1HG       LYS  16   7.956   9.359  -1.668
  104    HD2  LYS  16          2HD       LYS  16   6.066  10.580  -2.638
  105    HD3  LYS  16          1HD       LYS  16   5.072  10.151  -1.247
  106    HE2  LYS  16          2HE       LYS  16   6.589  11.372   0.225
  107    HE3  LYS  16          1HE       LYS  16   7.591  11.791  -1.161
  108    HZ1  LYS  16          1HZ       LYS  16   5.744  13.038  -2.081
  109    HZ2  LYS  16          2HZ       LYS  16   6.095  13.600  -0.540
  110    HZ3  LYS  16          3HZ       LYS  16   4.758  12.601  -0.791
  111    H    GLU  17           H        GLU  17   4.357   7.428  -4.002
  112    HA   GLU  17           HA       GLU  17   2.661   5.221  -4.087
  113    HB2  GLU  17          2HB       GLU  17   2.916   7.267  -5.625
  114    HB3  GLU  17          1HB       GLU  17   4.186   6.362  -6.411
  115    HG2  GLU  17          2HG       GLU  17   1.333   5.451  -6.201
  116    HG3  GLU  17          1HG       GLU  17   1.987   6.352  -7.558
  117    H    LYS  18           H        LYS  18   5.860   5.453  -5.655
  118    HA   LYS  18           HA       LYS  18   6.003   2.683  -6.249
  119    HB2  LYS  18          2HB       LYS  18   8.282   4.668  -6.066
  120    HB3  LYS  18          1HB       LYS  18   8.329   3.095  -6.841
  121    HG2  LYS  18          2HG       LYS  18   6.759   3.801  -8.518
  122    HG3  LYS  18          1HG       LYS  18   6.517   5.340  -7.691
  123    HD2  LYS  18          2HD       LYS  18   8.005   5.638  -9.589
  124    HD3  LYS  18          1HD       LYS  18   8.882   5.904  -8.086
  125    HE2  LYS  18          2HE       LYS  18   9.784   3.617  -8.232
  126    HE3  LYS  18          1HE       LYS  18   8.929   3.382  -9.747
  127    HZ1  LYS  18          1HZ       LYS  18  11.195   3.966 -10.167
  128    HZ2  LYS  18          2HZ       LYS  18  11.096   5.320  -9.210
  129    HZ3  LYS  18          3HZ       LYS  18  10.215   5.243 -10.667
  130    H    ALA  19           H        ALA  19   7.225   4.601  -3.598
  131    HA   ALA  19           HA       ALA  19   8.810   2.624  -2.350
  132    HB1  ALA  19          1HB       ALA  19   7.332   4.912  -1.044
  133    HB2  ALA  19          2HB       ALA  19   8.932   5.032  -1.781
  134    HB3  ALA  19          3HB       ALA  19   8.684   4.012  -0.362
  135    H    CYS  20           H        CYS  20   5.361   3.448  -1.940
  136    HA   CYS  20           HA       CYS  20   5.059   1.555   0.123
  137    HB2  CYS  20          2HB       CYS  20   3.496   3.448  -0.208
  138    HB3  CYS  20          1HB       CYS  20   2.904   2.660  -1.671
  139    H    LYS  21           H        LYS  21   4.577   1.395  -3.425
  140    HA   LYS  21           HA       LYS  21   3.526  -1.128  -3.627
  141    HB2  LYS  21          2HB       LYS  21   5.401   0.509  -5.226
  142    HB3  LYS  21          1HB       LYS  21   4.957  -1.083  -5.797
  143    HG2  LYS  21          2HG       LYS  21   2.602  -0.275  -5.807
  144    HG3  LYS  21          1HG       LYS  21   3.198   1.317  -5.330
  145    HD2  LYS  21          2HD       LYS  21   2.991   1.483  -7.656
  146    HD3  LYS  21          1HD       LYS  21   4.699   1.169  -7.410
  147    HE2  LYS  21          2HE       LYS  21   2.610  -0.862  -8.239
  148    HE3  LYS  21          1HE       LYS  21   3.787  -0.111  -9.302
  149    HZ1  LYS  21          1HZ       LYS  21   4.278  -2.064  -7.129
  150    HZ2  LYS  21          2HZ       LYS  21   5.530  -1.240  -7.898
  151    HZ3  LYS  21          3HZ       LYS  21   4.525  -2.269  -8.774
  152    H    SER  22           H        SER  22   6.802  -0.034  -3.138
  153    HA   SER  22           HA       SER  22   8.128  -2.517  -3.363
  154    HB2  SER  22          2HB       SER  22   8.896   0.027  -1.913
  155    HB3  SER  22          1HB       SER  22  10.035  -1.239  -2.321
  156    HG   SER  22           HG       SER  22   8.476   0.228  -4.215
  157    H    VAL  23           H        VAL  23   7.198  -0.568  -0.506
  158    HA   VAL  23           HA       VAL  23   7.995  -2.391   1.469
  159    HB   VAL  23           HB       VAL  23   5.854  -0.239   1.638
  160   HG11  VAL  23          1HG1      VAL  23   7.345  -1.649   3.848
  161   HG12  VAL  23          2HG1      VAL  23   5.631  -1.824   3.479
  162   HG13  VAL  23          3HG1      VAL  23   6.255  -0.281   4.067
  163   HG21  VAL  23          1HG2      VAL  23   8.007   0.649   0.988
  164   HG22  VAL  23          2HG2      VAL  23   8.782  -0.197   2.324
  165   HG23  VAL  23          3HG2      VAL  23   7.646   1.115   2.654
  166    H    CYS  24           H        CYS  24   4.900  -2.036  -0.176
  167    HA   CYS  24           HA       CYS  24   3.478  -3.874   1.340
  168    HB2  CYS  24          2HB       CYS  24   3.129  -2.974  -1.506
  169    HB3  CYS  24          1HB       CYS  24   2.035  -4.106  -0.711
  170    H    LYS  25           H        LYS  25   5.785  -4.451  -1.257
  171    HA   LYS  25           HA       LYS  25   5.027  -7.221  -1.500
  172    HB2  LYS  25          2HB       LYS  25   7.451  -5.730  -2.481
  173    HB3  LYS  25          1HB       LYS  25   7.145  -7.434  -2.770
  174    HG2  LYS  25          2HG       LYS  25   5.127  -6.840  -4.021
  175    HG3  LYS  25          1HG       LYS  25   5.479  -5.132  -3.741
  176    HD2  LYS  25          2HD       LYS  25   6.266  -5.796  -5.955
  177    HD3  LYS  25          1HD       LYS  25   7.630  -5.391  -4.917
  178    HE2  LYS  25          2HE       LYS  25   8.009  -7.800  -4.508
  179    HE3  LYS  25          1HE       LYS  25   6.647  -8.179  -5.562
  180    HZ1  LYS  25          1HZ       LYS  25   8.734  -8.413  -6.686
  181    HZ2  LYS  25          2HZ       LYS  25   9.161  -6.822  -6.349
  182    HZ3  LYS  25          3HZ       LYS  25   7.856  -7.161  -7.393
  183    H    GLU  26           H        GLU  26   6.764  -5.421   0.707
  184    HA   GLU  26           HA       GLU  26   8.520  -7.608   1.440
  185    HB2  GLU  26          2HB       GLU  26   8.227  -4.888   2.718
  186    HB3  GLU  26          1HB       GLU  26   9.517  -6.055   2.981
  187    HG2  GLU  26          2HG       GLU  26   8.952  -4.623   0.395
  188    HG3  GLU  26          1HG       GLU  26  10.234  -4.225   1.534
  189    H    HIS  27           H        HIS  27   5.693  -5.906   2.529
  190    HA   HIS  27           HA       HIS  27   5.567  -7.504   4.963
  191    HB2  HIS  27          2HB       HIS  27   3.842  -5.233   3.981
  192    HB3  HIS  27          1HB       HIS  27   3.459  -6.159   5.423
  193    HD1  HIS  27          1HD       HIS  27   4.401  -5.210   7.541
  194    HD2  HIS  27          2HD       HIS  27   6.488  -3.981   4.175
  195    HE1  HIS  27          1HE       HIS  27   6.115  -3.547   8.366
  196    H    TYR  28           H        TYR  28   4.250  -7.588   1.797
  197    HA   TYR  28           HA       TYR  28   2.511  -9.807   2.574
  198    HB2  TYR  28          2HB       TYR  28   1.709  -7.610   0.631
  199    HB3  TYR  28          1HB       TYR  28   0.733  -9.000   1.090
  200    HD1  TYR  28          1HD       TYR  28   1.861  -5.675   2.032
  201    HD2  TYR  28          2HD       TYR  28  -0.291  -9.095   3.358
  202    HE1  TYR  28          1HE       TYR  28   0.925  -4.360   3.873
  203    HE2  TYR  28          2HE       TYR  28  -1.241  -7.780   5.196
  204    HH   TYR  28           HH       TYR  28  -0.635  -5.749   6.507
  205    H    HIS  29           H        HIS  29   1.829 -10.952   0.426
  206    HA   HIS  29           HA       HIS  29   4.263 -11.126  -1.215
  207    HB2  HIS  29          2HB       HIS  29   2.048 -13.183  -0.943
  208    HB3  HIS  29          1HB       HIS  29   3.562 -13.390  -1.802
  209    HD1  HIS  29          1HD       HIS  29   2.078 -14.519   1.158
  210    HD2  HIS  29          2HD       HIS  29   5.800 -12.873   0.293
  211    HE1  HIS  29          1HE       HIS  29   3.571 -15.201   3.038
  212    H    HIS  30           H        HIS  30   0.743 -11.118  -1.426
  213    HA   HIS  30           HA       HIS  30   0.696 -11.092  -4.326
  214    HB2  HIS  30          2HB       HIS  30  -1.476 -10.898  -2.247
  215    HB3  HIS  30          1HB       HIS  30  -1.794 -10.796  -3.967
  216    HD1  HIS  30          1HD       HIS  30  -2.707 -12.935  -4.770
  217    HD2  HIS  30          2HD       HIS  30   0.098 -13.503  -1.763
  218    HE1  HIS  30          1HE       HIS  30  -2.609 -15.431  -4.352
  219    H    ALA  31           H        ALA  31   1.809  -8.729  -2.754
  220    HA   ALA  31           HA       ALA  31  -0.165  -6.687  -3.341
  221    HB1  ALA  31          1HB       ALA  31   2.555  -6.375  -2.095
  222    HB2  ALA  31          2HB       ALA  31   1.034  -6.565  -1.220
  223    HB3  ALA  31          3HB       ALA  31   1.305  -5.140  -2.231
  224    H    CYS  32           H        CYS  32  -0.185  -5.525  -5.075
  225    HA   CYS  32           HA       CYS  32   2.254  -5.380  -6.688
  226    HB2  CYS  32          2HB       CYS  32   0.520  -5.159  -8.628
  227    HB3  CYS  32          1HB       CYS  32   0.909  -6.749  -7.973
  228    H    LYS  33           H        LYS  33  -0.422  -3.643  -5.323
  229    HA   LYS  33           HA       LYS  33   0.758  -1.163  -6.331
  230    HB2  LYS  33          2HB       LYS  33  -1.202  -1.454  -7.643
  231    HB3  LYS  33          1HB       LYS  33  -2.142  -1.991  -6.266
  232    HG2  LYS  33          2HG       LYS  33  -2.857   0.211  -6.834
  233    HG3  LYS  33          1HG       LYS  33  -1.960   0.306  -5.327
  234    HD2  LYS  33          2HD       LYS  33   0.039   1.021  -6.678
  235    HD3  LYS  33          1HD       LYS  33  -1.037   1.121  -8.080
  236    HE2  LYS  33          2HE       LYS  33  -2.493   2.673  -6.765
  237    HE3  LYS  33          1HE       LYS  33  -1.281   2.606  -5.491
  238    HZ1  LYS  33          1HZ       LYS  33  -0.917   3.751  -8.201
  239    HZ2  LYS  33          2HZ       LYS  33   0.329   3.517  -7.082
  240    HZ3  LYS  33          3HZ       LYS  33  -0.955   4.548  -6.696
  241    H    GLY  34           H        GLY  34   1.209   0.258  -4.700
  242    HA2  GLY  34          2HA       GLY  34  -0.276  -0.088  -2.191
  243    HA3  GLY  34          1HA       GLY  34   1.411   0.440  -2.272
  244    H    GLU  35           H        GLU  35  -1.421   1.707  -1.582
  245    HA   GLU  35           HA       GLU  35  -0.649   4.206  -2.869
  246    HB2  GLU  35          2HB       GLU  35  -2.588   3.134  -4.172
  247    HB3  GLU  35          1HB       GLU  35  -3.555   3.431  -2.742
  248    HG2  GLU  35          2HG       GLU  35  -3.783   5.165  -4.506
  249    HG3  GLU  35          1HG       GLU  35  -3.321   5.768  -2.914
  250    H    CYS  36           H        CYS  36  -0.835   5.931  -1.720
  251    HA   CYS  36           HA       CYS  36  -0.996   5.553   1.114
  252    HB2  CYS  36          2HB       CYS  36  -0.459   8.047  -0.484
  253    HB3  CYS  36          1HB       CYS  36  -0.173   7.828   1.241
  254    H    GLU  37           H        GLU  37  -2.566   6.055   2.396
  255    HA   GLU  37           HA       GLU  37  -5.014   7.244   1.326
  256    HB2  GLU  37          2HB       GLU  37  -4.475   5.628   3.832
  257    HB3  GLU  37          1HB       GLU  37  -6.052   6.166   3.278
  258    HG2  GLU  37          2HG       GLU  37  -4.311   4.351   1.635
  259    HG3  GLU  37          1HG       GLU  37  -5.431   3.740   2.848
  260    H    TYR  38           H        TYR  38  -4.725   9.412   1.626
  261    HA   TYR  38           HA       TYR  38  -3.528  10.355   4.100
  262    HB2  TYR  38          2HB       TYR  38  -4.333  11.854   1.599
  263    HB3  TYR  38          1HB       TYR  38  -3.670  12.613   3.036
  264    HD1  TYR  38          1HD       TYR  38  -2.921  10.689   0.034
  265    HD2  TYR  38          2HD       TYR  38  -1.294  12.250   3.643
  266    HE1  TYR  38          1HE       TYR  38  -0.662  10.378  -0.858
  267    HE2  TYR  38          2HE       TYR  38   0.974  11.936   2.765
  268    HH   TYR  38           HH       TYR  38   2.150  10.542   1.028
  269    H    HIS  39           H        HIS  39  -4.898  10.340   5.697
  270    HA   HIS  39           HA       HIS  39  -7.223  12.062   5.509
  271    HB2  HIS  39          2HB       HIS  39  -8.108   9.764   5.089
  272    HB3  HIS  39          1HB       HIS  39  -7.395   9.236   6.607
  273    HD1  HIS  39          1HD       HIS  39  -8.851   9.505   8.693
  274    HD2  HIS  39          2HD       HIS  39 -10.247  11.689   5.436
  275    HE1  HIS  39          1HE       HIS  39 -11.069  10.443   9.379
  276    H    GLY  40           H        GLY  40  -6.767  13.500   7.002
  277    HA2  GLY  40          2HA       GLY  40  -6.610  14.216   9.216
  278    HA3  GLY  40          1HA       GLY  40  -6.112  12.598   9.691
  279    H    ARG  41           H        ARG  41  -4.237  12.991  10.683
  280    HA   ARG  41           HA       ARG  41  -2.253  14.680   9.339
  281    HB2  ARG  41          2HB       ARG  41  -2.758  15.140  11.725
  282    HB3  ARG  41          1HB       ARG  41  -2.215  13.521  12.126
  283    HG2  ARG  41          2HG       ARG  41   0.032  14.069  11.372
  284    HG3  ARG  41          1HG       ARG  41  -0.500  15.693  10.942
  285    HD2  ARG  41          2HD       ARG  41  -0.566  14.481  13.700
  286    HD3  ARG  41          1HD       ARG  41   0.610  15.666  13.128
  287    HE   ARG  41           HE       ARG  41  -1.665  16.941  12.685
  288   HH11  ARG  41          1HH1      ARG  41  -0.599  15.175  15.576
  289   HH12  ARG  41          2HH1      ARG  41  -1.474  16.143  16.661
  290   HH21  ARG  41          1HH2      ARG  41  -2.851  18.297  14.232
  291   HH22  ARG  41          2HH2      ARG  41  -2.763  17.943  15.892
  292    H    GLU  42           H        GLU  42  -2.900  11.405  10.306
  293    HA   GLU  42           HA       GLU  42  -0.244  10.485   9.670
  294    HB2  GLU  42          2HB       GLU  42  -2.764   8.981  10.403
  295    HB3  GLU  42          1HB       GLU  42  -1.210   8.225  10.110
  296    HG2  GLU  42          2HG       GLU  42  -1.856  10.184  12.293
  297    HG3  GLU  42          1HG       GLU  42  -1.633   8.446  12.480
  298    H    VAL  43           H        VAL  43  -0.264   8.408   8.250
  299    HA   VAL  43           HA       VAL  43  -2.141   8.533   6.109
  300    HB   VAL  43           HB       VAL  43  -0.411  10.078   5.289
  301   HG11  VAL  43          1HG1      VAL  43   1.875   9.351   4.844
  302   HG12  VAL  43          2HG1      VAL  43   1.513   7.807   5.615
  303   HG13  VAL  43          3HG1      VAL  43   1.501   9.294   6.576
  304   HG21  VAL  43          1HG2      VAL  43   0.158   8.964   3.179
  305   HG22  VAL  43          2HG2      VAL  43  -1.519   8.681   3.646
  306   HG23  VAL  43          3HG2      VAL  43  -0.314   7.416   3.878
  307    H    HIS  44           H        HIS  44  -2.773   6.604   5.810
  308    HA   HIS  44           HA       HIS  44  -1.114   4.308   6.566
  309    HB2  HIS  44          2HB       HIS  44  -4.004   4.425   5.624
  310    HB3  HIS  44          1HB       HIS  44  -3.174   2.996   6.214
  311    HD1  HIS  44          1HD       HIS  44  -5.112   5.939   7.343
  312    HD2  HIS  44          2HD       HIS  44  -2.670   3.031   9.011
  313    HE1  HIS  44          1HE       HIS  44  -5.618   5.963   9.794
  314    H    CYS  45           H        CYS  45  -0.882   2.571   4.881
  315    HA   CYS  45           HA       CYS  45  -1.519   3.588   2.232
  316    HB2  CYS  45          2HB       CYS  45   0.948   3.833   2.768
  317    HB3  CYS  45          1HB       CYS  45   1.016   2.069   2.820
  318    H    HIS  46           H        HIS  46  -2.723   2.206   1.155
  319    HA   HIS  46           HA       HIS  46  -2.964  -0.415   2.324
  320    HB2  HIS  46          2HB       HIS  46  -4.723   1.105   0.450
  321    HB3  HIS  46          1HB       HIS  46  -4.875  -0.641   0.607
  322    HD1  HIS  46          1HD       HIS  46  -6.616   2.118   1.802
  323    HD2  HIS  46          2HD       HIS  46  -4.789  -1.120   3.676
  324    HE1  HIS  46          1HE       HIS  46  -7.736   1.873   4.007
  325    H    CYS  47           H        CYS  47  -2.430  -2.170   1.501
  326    HA   CYS  47           HA       CYS  47  -0.920  -2.141  -0.975
  327    HB2  CYS  47          2HB       CYS  47  -1.245  -4.279   1.126
  328    HB3  CYS  47          1HB       CYS  47  -0.105  -4.305  -0.220
  329    H    TYR  48           H        TYR  48  -2.062  -2.529  -2.692
  330    HA   TYR  48           HA       TYR  48  -4.505  -4.112  -2.521
  331    HB2  TYR  48          2HB       TYR  48  -3.483  -2.344  -4.748
  332    HB3  TYR  48          1HB       TYR  48  -5.054  -3.130  -4.686
  333    HD1  TYR  48          1HD       TYR  48  -2.993  -0.407  -3.405
  334    HD2  TYR  48          2HD       TYR  48  -6.822  -2.240  -3.259
  335    HE1  TYR  48          1HE       TYR  48  -3.873   1.559  -2.294
  336    HE2  TYR  48          2HE       TYR  48  -7.727  -0.262  -2.142
  337    HH   TYR  48           HH       TYR  48  -5.976   2.679  -1.912
  338    H    GLY  49           H        GLY  49  -4.741  -5.906  -3.684
  339    HA2  GLY  49          2HA       GLY  49  -2.975  -6.598  -5.835
  340    HA3  GLY  49          1HA       GLY  49  -2.733  -7.573  -4.388
  341    H    ASP  50           H        ASP  50  -3.395  -9.274  -5.874
  342    HA   ASP  50           HA       ASP  50  -6.322  -9.580  -5.745
  343    HB2  ASP  50          2HB       ASP  50  -5.373  -9.515  -8.128
  344    HB3  ASP  50          1HB       ASP  50  -4.484 -10.980  -7.725
  345    H    TYR  51           H        TYR  51  -6.770 -11.047  -4.206
  346    HA   TYR  51           HA       TYR  51  -4.487 -12.615  -3.278
  347    HB2  TYR  51          2HB       TYR  51  -5.583 -10.711  -1.899
  348    HB3  TYR  51          1HB       TYR  51  -6.883 -11.859  -1.646
  349    HD1  TYR  51          1HD       TYR  51  -3.211 -12.489  -1.721
  350    HD2  TYR  51          2HD       TYR  51  -6.734 -12.322   0.632
  351    HE1  TYR  51          1HE       TYR  51  -1.962 -13.306   0.180
  352    HE2  TYR  51          2HE       TYR  51  -5.481 -13.158   2.566
  353    HH   TYR  51           HH       TYR  51  -3.390 -14.358   3.090
  354    H    HIS  52           H        HIS  52  -5.172 -14.614  -2.168
  355    HA   HIS  52           HA       HIS  52  -7.228 -15.923  -3.770
  356    HB2  HIS  52          2HB       HIS  52  -4.898 -16.952  -3.584
  357    HB3  HIS  52          1HB       HIS  52  -5.238 -17.235  -1.884
  358    HD1  HIS  52          1HD       HIS  52  -5.510 -18.839  -5.129
  359    HD2  HIS  52          2HD       HIS  52  -7.595 -19.012  -1.543
  360    HE1  HIS  52          1HE       HIS  52  -6.766 -21.006  -5.169
  Start of MODEL    7
    1    H1   ALA   1           H        ALA   1  -4.288 -10.765 -12.438
    2    HA   ALA   1           HA       ALA   1  -7.096 -10.771 -11.555
    3    HB1  ALA   1          1HB       ALA   1  -4.771 -11.259  -9.690
    4    HB2  ALA   1          2HB       ALA   1  -5.995 -12.443 -10.135
    5    HB3  ALA   1          3HB       ALA   1  -6.448 -11.014  -9.208
    6    H    HIS   2           H        HIS   2  -7.559  -8.872 -10.242
    7    HA   HIS   2           HA       HIS   2  -5.798  -6.679 -11.065
    8    HB2  HIS   2          2HB       HIS   2  -8.653  -6.551 -10.056
    9    HB3  HIS   2          1HB       HIS   2  -7.716  -5.225 -10.725
   10    HD1  HIS   2          1HD       HIS   2 -10.454  -7.101 -11.715
   11    HD2  HIS   2          2HD       HIS   2  -6.796  -6.311 -13.526
   12    HE1  HIS   2          1HE       HIS   2 -10.805  -7.485 -14.158
   13    H    CYS   3           H        CYS   3  -5.014  -5.267  -9.526
   14    HA   CYS   3           HA       CYS   3  -5.191  -6.199  -6.826
   15    HB2  CYS   3          2HB       CYS   3  -3.596  -3.946  -8.068
   16    HB3  CYS   3          1HB       CYS   3  -3.560  -4.348  -6.354
   17    H    ASP   4           H        ASP   4  -7.382  -5.902  -6.851
   18    HA   ASP   4           HA       ASP   4  -8.375  -3.150  -6.506
   19    HB2  ASP   4          2HB       ASP   4  -9.531  -4.475  -8.193
   20    HB3  ASP   4          1HB       ASP   4  -9.817  -5.755  -7.028
   21    H    HIS   5           H        HIS   5  -7.837  -6.163  -4.889
   22    HA   HIS   5           HA       HIS   5  -9.624  -5.550  -2.719
   23    HB2  HIS   5          2HB       HIS   5  -7.661  -7.834  -2.990
   24    HB3  HIS   5          1HB       HIS   5  -8.947  -7.697  -1.801
   25    HD1  HIS   5          1HD       HIS   5  -8.213  -9.122  -5.055
   26    HD2  HIS   5          2HD       HIS   5 -11.599  -7.758  -3.070
   27    HE1  HIS   5          1HE       HIS   5 -10.168 -10.104  -6.277
   28    H    PHE   6           H        PHE   6  -9.034  -4.341  -1.107
   29    HA   PHE   6           HA       PHE   6  -6.380  -3.583  -0.483
   30    HB2  PHE   6          2HB       PHE   6  -8.152  -2.111   0.155
   31    HB3  PHE   6          1HB       PHE   6  -9.028  -3.381   0.982
   32    HD1  PHE   6          1HD       PHE   6  -8.565  -3.901   3.258
   33    HD2  PHE   6          2HD       PHE   6  -6.138  -1.062   1.193
   34    HE1  PHE   6          1HE       PHE   6  -7.608  -3.169   5.393
   35    HE2  PHE   6          2HE       PHE   6  -5.187  -0.343   3.332
   36    HZ   PHE   6           HZ       PHE   6  -5.922  -1.395   5.434
   37    H    LEU   7           H        LEU   7  -4.940  -4.903   0.278
   38    HA   LEU   7           HA       LEU   7  -5.717  -7.382   1.602
   39    HB2  LEU   7          2HB       LEU   7  -3.006  -6.429   0.691
   40    HB3  LEU   7          1HB       LEU   7  -3.367  -8.019   1.325
   41    HG   LEU   7           HG       LEU   7  -4.377  -6.867  -1.275
   42   HD11  LEU   7          1HD1      LEU   7  -2.051  -7.435  -1.384
   43   HD12  LEU   7          2HD1      LEU   7  -2.986  -8.635  -2.272
   44   HD13  LEU   7          3HD1      LEU   7  -2.363  -9.013  -0.667
   45   HD21  LEU   7          1HD2      LEU   7  -4.819  -9.588  -0.049
   46   HD22  LEU   7          2HD2      LEU   7  -5.267  -9.116  -1.687
   47   HD23  LEU   7          3HD2      LEU   7  -6.047  -8.345  -0.307
   48    H    GLY   8           H        GLY   8  -4.157  -4.332   2.292
   49    HA2  GLY   8          2HA       GLY   8  -4.543  -4.485   4.987
   50    HA3  GLY   8          1HA       GLY   8  -2.956  -5.188   4.694
   51    H    GLU   9           H        GLU   9  -2.853  -3.164   6.181
   52    HA   GLU   9           HA       GLU   9  -2.262  -0.799   4.554
   53    HB2  GLU   9          2HB       GLU   9  -4.111  -0.506   6.111
   54    HB3  GLU   9          1HB       GLU   9  -3.102  -1.073   7.432
   55    HG2  GLU   9          2HG       GLU   9  -1.580   0.856   6.926
   56    HG3  GLU   9          1HG       GLU   9  -2.851   1.462   5.865
   57    H    ALA  10           H        ALA  10  -0.149  -0.419   4.466
   58    HA   ALA  10           HA       ALA  10   1.575  -1.471   6.587
   59    HB1  ALA  10          1HB       ALA  10   3.389  -1.369   4.969
   60    HB2  ALA  10          2HB       ALA  10   2.287  -0.723   3.748
   61    HB3  ALA  10          3HB       ALA  10   2.066  -2.366   4.362
   62    HA   PRO  11           HA       PRO  11   2.225   2.827   7.552
   63    HB2  PRO  11          2HB       PRO  11   4.191   2.502   9.407
   64    HB3  PRO  11          1HB       PRO  11   2.497   2.139   9.747
   65    HG2  PRO  11          2HG       PRO  11   4.738   0.288   9.080
   66    HG3  PRO  11          1HG       PRO  11   3.411   0.064  10.236
   67    HD2  PRO  11          2HD       PRO  11   3.503  -1.043   7.722
   68    HD3  PRO  11          1HD       PRO  11   2.005  -0.722   8.613
   69    H    VAL  12           H        VAL  12   3.239   4.081   6.090
   70    HA   VAL  12           HA       VAL  12   6.082   3.650   5.562
   71    HB   VAL  12           HB       VAL  12   4.024   4.236   3.395
   72   HG11  VAL  12          1HG1      VAL  12   7.010   3.838   3.178
   73   HG12  VAL  12          2HG1      VAL  12   6.145   5.359   2.968
   74   HG13  VAL  12          3HG1      VAL  12   5.901   4.041   1.822
   75   HG21  VAL  12          1HG2      VAL  12   3.933   1.900   4.063
   76   HG22  VAL  12          2HG2      VAL  12   5.678   1.759   3.862
   77   HG23  VAL  12          3HG2      VAL  12   4.650   2.047   2.458
   78    H    TYR  13           H        TYR  13   7.044   5.449   6.194
   79    HA   TYR  13           HA       TYR  13   5.836   7.993   5.482
   80    HB2  TYR  13          2HB       TYR  13   5.124   7.557   7.788
   81    HB3  TYR  13          1HB       TYR  13   6.789   7.261   8.264
   82    HD1  TYR  13          1HD       TYR  13   7.929   8.986   9.293
   83    HD2  TYR  13          2HD       TYR  13   4.715   9.931   6.677
   84    HE1  TYR  13          1HE       TYR  13   8.197  11.347   9.836
   85    HE2  TYR  13          2HE       TYR  13   4.968  12.298   7.206
   86    HH   TYR  13           HH       TYR  13   7.691  13.498   8.909
   87    HA   PRO  14           HA       PRO  14   6.318   9.869   4.895
   88    HB2  PRO  14          2HB       PRO  14   7.786  10.884   2.632
   89    HB3  PRO  14          1HB       PRO  14   7.355  11.734   4.115
   90    HG2  PRO  14          2HG       PRO  14   9.931  11.089   3.425
   91    HG3  PRO  14          1HG       PRO  14   9.383  11.313   5.093
   92    HD2  PRO  14          2HD       PRO  14   9.781   8.773   3.554
   93    HD3  PRO  14          1HD       PRO  14  10.232   9.143   5.230
   94    H    CYS  15           H        CYS  15   5.297  10.297   2.617
   95    HA   CYS  15           HA       CYS  15   4.929   7.699   1.426
   96    HB2  CYS  15          2HB       CYS  15   2.899   8.825   1.814
   97    HB3  CYS  15          1HB       CYS  15   3.510  10.332   1.136
   98    H    LYS  16           H        LYS  16   5.702   7.019  -0.392
   99    HA   LYS  16           HA       LYS  16   6.112   8.814  -2.529
  100    HB2  LYS  16          2HB       LYS  16   8.331   8.372  -1.276
  101    HB3  LYS  16          1HB       LYS  16   8.215   6.731  -1.902
  102    HG2  LYS  16          2HG       LYS  16   9.666   8.166  -3.276
  103    HG3  LYS  16          1HG       LYS  16   8.250   7.608  -4.184
  104    HD2  LYS  16          2HD       LYS  16   7.133   9.660  -3.877
  105    HD3  LYS  16          1HD       LYS  16   8.323  10.230  -2.720
  106    HE2  LYS  16          2HE       LYS  16   8.823   9.701  -5.657
  107    HE3  LYS  16          1HE       LYS  16   8.529  11.290  -4.962
  108    HZ1  LYS  16          1HZ       LYS  16  10.537  10.965  -3.605
  109    HZ2  LYS  16          2HZ       LYS  16  10.828  10.998  -5.249
  110    HZ3  LYS  16          3HZ       LYS  16  10.866   9.527  -4.444
  111    H    GLU  17           H        GLU  17   5.342   7.793  -4.276
  112    HA   GLU  17           HA       GLU  17   3.698   5.642  -3.867
  113    HB2  GLU  17          2HB       GLU  17   3.569   5.489  -6.458
  114    HB3  GLU  17          1HB       GLU  17   2.950   6.887  -5.605
  115    HG2  GLU  17          2HG       GLU  17   4.079   7.499  -7.604
  116    HG3  GLU  17          1HG       GLU  17   4.941   8.146  -6.216
  117    H    LYS  18           H        LYS  18   6.900   5.459  -5.243
  118    HA   LYS  18           HA       LYS  18   6.731   2.644  -5.677
  119    HB2  LYS  18          2HB       LYS  18   9.143   4.436  -5.513
  120    HB3  LYS  18          1HB       LYS  18   9.216   2.731  -5.951
  121    HG2  LYS  18          2HG       LYS  18   7.788   3.135  -7.856
  122    HG3  LYS  18          1HG       LYS  18   7.631   4.826  -7.397
  123    HD2  LYS  18          2HD       LYS  18  10.066   5.081  -7.694
  124    HD3  LYS  18          1HD       LYS  18  10.136   3.409  -8.265
  125    HE2  LYS  18          2HE       LYS  18  10.029   4.952 -10.151
  126    HE3  LYS  18          1HE       LYS  18   8.576   3.957 -10.068
  127    HZ1  LYS  18          1HZ       LYS  18   8.821   6.760  -9.121
  128    HZ2  LYS  18          2HZ       LYS  18   7.412   5.851  -9.012
  129    HZ3  LYS  18          3HZ       LYS  18   8.037   6.275 -10.520
  130    H    ALA  19           H        ALA  19   7.822   4.570  -2.980
  131    HA   ALA  19           HA       ALA  19   9.027   2.500  -1.481
  132    HB1  ALA  19          1HB       ALA  19   7.587   4.963  -0.465
  133    HB2  ALA  19          2HB       ALA  19   9.290   4.895  -0.909
  134    HB3  ALA  19          3HB       ALA  19   8.695   3.957   0.461
  135    H    CYS  20           H        CYS  20   5.828   3.821  -1.602
  136    HA   CYS  20           HA       CYS  20   4.485   2.341   0.326
  137    HB2  CYS  20          2HB       CYS  20   3.777   4.385  -1.054
  138    HB3  CYS  20          1HB       CYS  20   3.397   3.267  -2.343
  139    H    LYS  21           H        LYS  21   4.790   1.744  -3.180
  140    HA   LYS  21           HA       LYS  21   3.484  -0.729  -3.292
  141    HB2  LYS  21          2HB       LYS  21   3.916   0.700  -5.227
  142    HB3  LYS  21          1HB       LYS  21   5.638   0.422  -5.062
  143    HG2  LYS  21          2HG       LYS  21   5.311  -1.937  -5.603
  144    HG3  LYS  21          1HG       LYS  21   3.571  -1.660  -5.756
  145    HD2  LYS  21          2HD       LYS  21   3.984  -0.040  -7.530
  146    HD3  LYS  21          1HD       LYS  21   5.718  -0.315  -7.385
  147    HE2  LYS  21          2HE       LYS  21   5.391  -2.653  -8.048
  148    HE3  LYS  21          1HE       LYS  21   3.659  -2.370  -8.170
  149    HZ1  LYS  21          1HZ       LYS  21   5.701  -0.956  -9.795
  150    HZ2  LYS  21          2HZ       LYS  21   4.015  -0.837  -9.951
  151    HZ3  LYS  21          3HZ       LYS  21   4.803  -2.284 -10.303
  152    H    SER  22           H        SER  22   6.926   0.062  -2.892
  153    HA   SER  22           HA       SER  22   7.964  -2.523  -3.029
  154    HB2  SER  22          2HB       SER  22   9.295  -0.407  -3.171
  155    HB3  SER  22          1HB       SER  22   9.039  -0.168  -1.449
  156    HG   SER  22           HG       SER  22  10.399  -1.696  -0.988
  157    H    VAL  23           H        VAL  23   6.889  -0.613  -0.229
  158    HA   VAL  23           HA       VAL  23   7.548  -2.585   1.690
  159    HB   VAL  23           HB       VAL  23   5.614  -0.251   1.901
  160   HG11  VAL  23          1HG1      VAL  23   6.861  -1.926   4.084
  161   HG12  VAL  23          2HG1      VAL  23   5.159  -1.926   3.617
  162   HG13  VAL  23          3HG1      VAL  23   5.877  -0.481   4.326
  163   HG21  VAL  23          1HG2      VAL  23   8.487  -0.538   2.743
  164   HG22  VAL  23          2HG2      VAL  23   7.463   0.865   3.050
  165   HG23  VAL  23          3HG2      VAL  23   7.887   0.426   1.395
  166    H    CYS  24           H        CYS  24   4.552  -1.794  -0.022
  167    HA   CYS  24           HA       CYS  24   2.925  -3.648   1.238
  168    HB2  CYS  24          2HB       CYS  24   2.835  -2.442  -1.497
  169    HB3  CYS  24          1HB       CYS  24   1.668  -3.674  -1.012
  170    H    LYS  25           H        LYS  25   5.189  -4.158  -1.401
  171    HA   LYS  25           HA       LYS  25   4.383  -6.877  -1.686
  172    HB2  LYS  25          2HB       LYS  25   6.729  -5.355  -2.763
  173    HB3  LYS  25          1HB       LYS  25   6.562  -7.093  -2.985
  174    HG2  LYS  25          2HG       LYS  25   4.394  -6.702  -4.076
  175    HG3  LYS  25          1HG       LYS  25   4.680  -4.965  -3.939
  176    HD2  LYS  25          2HD       LYS  25   6.596  -5.093  -5.332
  177    HD3  LYS  25          1HD       LYS  25   6.583  -6.856  -5.297
  178    HE2  LYS  25          2HE       LYS  25   4.458  -5.103  -6.517
  179    HE3  LYS  25          1HE       LYS  25   5.713  -5.965  -7.407
  180    HZ1  LYS  25          1HZ       LYS  25   3.696  -7.248  -7.458
  181    HZ2  LYS  25          2HZ       LYS  25   3.527  -7.194  -5.800
  182    HZ3  LYS  25          3HZ       LYS  25   4.797  -8.055  -6.491
  183    H    GLU  26           H        GLU  26   6.359  -5.300   0.569
  184    HA   GLU  26           HA       GLU  26   7.875  -7.665   1.230
  185    HB2  GLU  26          2HB       GLU  26   7.494  -5.096   2.779
  186    HB3  GLU  26          1HB       GLU  26   8.579  -6.396   3.237
  187    HG2  GLU  26          2HG       GLU  26   9.797  -6.036   1.104
  188    HG3  GLU  26          1HG       GLU  26   8.771  -4.628   0.822
  189    H    HIS  27           H        HIS  27   5.048  -5.966   2.321
  190    HA   HIS  27           HA       HIS  27   4.579  -7.792   4.486
  191    HB2  HIS  27          2HB       HIS  27   2.829  -5.638   3.286
  192    HB3  HIS  27          1HB       HIS  27   2.288  -6.680   4.592
  193    HD1  HIS  27          1HD       HIS  27   2.828  -5.870   6.932
  194    HD2  HIS  27          2HD       HIS  27   5.093  -4.022   3.994
  195    HE1  HIS  27          1HE       HIS  27   4.128  -4.074   8.112
  196    H    TYR  28           H        TYR  28   3.132  -7.294   1.269
  197    HA   TYR  28           HA       TYR  28   2.023  -9.996   1.488
  198    HB2  TYR  28          2HB       TYR  28   0.634  -7.681   0.127
  199    HB3  TYR  28          1HB       TYR  28  -0.016  -9.280   0.448
  200    HD1  TYR  28          1HD       TYR  28  -0.588  -9.908   2.834
  201    HD2  TYR  28          2HD       TYR  28   0.506  -5.950   1.712
  202    HE1  TYR  28          1HE       TYR  28  -1.527  -9.059   4.930
  203    HE2  TYR  28          2HE       TYR  28  -0.409  -5.085   3.794
  204    HH   TYR  28           HH       TYR  28  -1.170  -7.003   6.415
  205    H    HIS  29           H        HIS  29   2.962 -11.168  -0.106
  206    HA   HIS  29           HA       HIS  29   4.184  -9.850  -2.359
  207    HB2  HIS  29          2HB       HIS  29   3.967 -12.769  -1.605
  208    HB3  HIS  29          1HB       HIS  29   4.686 -12.244  -3.122
  209    HD1  HIS  29          1HD       HIS  29   7.086 -11.401  -3.036
  210    HD2  HIS  29          2HD       HIS  29   5.436 -12.040   0.722
  211    HE1  HIS  29          1HE       HIS  29   8.992 -11.180  -1.393
  212    H    HIS  30           H        HIS  30   1.171 -10.510  -1.694
  213    HA   HIS  30           HA       HIS  30   0.283 -11.291  -4.368
  214    HB2  HIS  30          2HB       HIS  30  -1.283 -10.821  -1.816
  215    HB3  HIS  30          1HB       HIS  30  -1.965 -11.387  -3.334
  216    HD1  HIS  30          1HD       HIS  30  -1.972 -13.859  -3.682
  217    HD2  HIS  30          2HD       HIS  30   0.540 -12.693  -0.596
  218    HE1  HIS  30          1HE       HIS  30  -1.167 -16.012  -2.538
  219    H    ALA  31           H        ALA  31   1.198  -8.542  -2.849
  220    HA   ALA  31           HA       ALA  31  -0.950  -6.861  -3.908
  221    HB1  ALA  31          1HB       ALA  31   1.362  -6.148  -2.099
  222    HB2  ALA  31          2HB       ALA  31  -0.281  -6.483  -1.562
  223    HB3  ALA  31          3HB       ALA  31   0.046  -5.074  -2.572
  224    H    CYS  32           H        CYS  32  -0.644  -5.823  -5.768
  225    HA   CYS  32           HA       CYS  32   2.136  -5.530  -6.716
  226    HB2  CYS  32          2HB       CYS  32   1.318  -5.415  -8.966
  227    HB3  CYS  32          1HB       CYS  32   0.489  -6.771  -8.216
  228    H    LYS  33           H        LYS  33  -0.575  -3.889  -5.528
  229    HA   LYS  33           HA       LYS  33   0.378  -1.324  -6.569
  230    HB2  LYS  33          2HB       LYS  33  -1.683  -2.042  -7.648
  231    HB3  LYS  33          1HB       LYS  33  -2.439  -2.293  -6.094
  232    HG2  LYS  33          2HG       LYS  33  -2.307   0.124  -5.660
  233    HG3  LYS  33          1HG       LYS  33  -1.549   0.341  -7.240
  234    HD2  LYS  33          2HD       LYS  33  -3.527  -0.609  -8.320
  235    HD3  LYS  33          1HD       LYS  33  -4.295  -0.779  -6.742
  236    HE2  LYS  33          2HE       LYS  33  -5.073   1.236  -7.898
  237    HE3  LYS  33          1HE       LYS  33  -4.204   1.627  -6.420
  238    HZ1  LYS  33          1HZ       LYS  33  -3.632   3.019  -8.394
  239    HZ2  LYS  33          2HZ       LYS  33  -2.873   1.680  -9.085
  240    HZ3  LYS  33          3HZ       LYS  33  -2.340   2.317  -7.614
  241    H    GLY  34           H        GLY  34   0.647   0.238  -5.102
  242    HA2  GLY  34          2HA       GLY  34  -0.421  -0.120  -2.409
  243    HA3  GLY  34          1HA       GLY  34   1.306   0.181  -2.627
  244    H    GLU  35           H        GLU  35  -1.422   1.691  -1.853
  245    HA   GLU  35           HA       GLU  35  -0.573   4.174  -3.174
  246    HB2  GLU  35          2HB       GLU  35  -3.420   3.422  -2.529
  247    HB3  GLU  35          1HB       GLU  35  -2.880   4.929  -3.230
  248    HG2  GLU  35          2HG       GLU  35  -2.690   2.222  -4.522
  249    HG3  GLU  35          1HG       GLU  35  -3.846   3.493  -4.919
  250    H    CYS  36           H        CYS  36  -0.276   5.846  -1.888
  251    HA   CYS  36           HA       CYS  36  -0.380   5.605   0.951
  252    HB2  CYS  36          2HB       CYS  36  -0.059   8.060  -0.761
  253    HB3  CYS  36          1HB       CYS  36   0.255   7.956   0.960
  254    H    GLU  37           H        GLU  37  -1.964   6.211   2.288
  255    HA   GLU  37           HA       GLU  37  -4.101   7.822   1.181
  256    HB2  GLU  37          2HB       GLU  37  -4.345   5.296   2.760
  257    HB3  GLU  37          1HB       GLU  37  -5.620   6.507   2.800
  258    HG2  GLU  37          2HG       GLU  37  -4.557   5.257   0.278
  259    HG3  GLU  37          1HG       GLU  37  -5.991   4.698   1.141
  260    H    TYR  38           H        TYR  38  -4.002   9.633   2.056
  261    HA   TYR  38           HA       TYR  38  -3.039  10.069   4.718
  262    HB2  TYR  38          2HB       TYR  38  -4.220  11.875   2.602
  263    HB3  TYR  38          1HB       TYR  38  -3.839  12.454   4.216
  264    HD1  TYR  38          1HD       TYR  38  -1.574  12.823   4.894
  265    HD2  TYR  38          2HD       TYR  38  -2.409  11.205   1.052
  266    HE1  TYR  38          1HE       TYR  38   0.742  13.232   4.235
  267    HE2  TYR  38          2HE       TYR  38  -0.090  11.608   0.372
  268    HH   TYR  38           HH       TYR  38   1.787  13.036   1.011
  269    H    HIS  39           H        HIS  39  -4.278   9.461   6.331
  270    HA   HIS  39           HA       HIS  39  -7.145   9.970   6.086
  271    HB2  HIS  39          2HB       HIS  39  -6.520   7.545   6.086
  272    HB3  HIS  39          1HB       HIS  39  -5.776   7.783   7.659
  273    HD1  HIS  39          1HD       HIS  39  -7.272   7.425   9.643
  274    HD2  HIS  39          2HD       HIS  39  -9.369   7.998   6.108
  275    HE1  HIS  39          1HE       HIS  39  -9.688   7.004  10.199
  276    H    GLY  40           H        GLY  40  -7.218  11.897   7.042
  277    HA2  GLY  40          2HA       GLY  40  -7.525  13.272   8.856
  278    HA3  GLY  40          1HA       GLY  40  -6.960  11.970   9.901
  279    H    ARG  41           H        ARG  41  -4.825  11.745  10.282
  280    HA   ARG  41           HA       ARG  41  -3.077  13.920   9.363
  281    HB2  ARG  41          2HB       ARG  41  -3.741  14.343  11.684
  282    HB3  ARG  41          1HB       ARG  41  -3.238  12.729  12.146
  283    HG2  ARG  41          2HG       ARG  41  -1.653  14.455  12.872
  284    HG3  ARG  41          1HG       ARG  41  -0.918  13.310  11.753
  285    HD2  ARG  41          2HD       ARG  41  -0.252  15.622  11.268
  286    HD3  ARG  41          1HD       ARG  41  -1.147  14.908   9.934
  287    HE   ARG  41           HE       ARG  41  -2.855  16.365  11.683
  288   HH11  ARG  41          1HH1      ARG  41  -0.479  16.840   9.102
  289   HH12  ARG  41          2HH1      ARG  41  -1.153  18.313   8.584
  290   HH21  ARG  41          1HH2      ARG  41  -3.728  18.356  10.984
  291   HH22  ARG  41          2HH2      ARG  41  -3.010  19.225   9.704
  292    H    GLU  42           H        GLU  42  -3.599  10.571   9.703
  293    HA   GLU  42           HA       GLU  42  -0.742  10.017   9.534
  294    HB2  GLU  42          2HB       GLU  42  -3.037   8.226  10.277
  295    HB3  GLU  42          1HB       GLU  42  -1.372   7.687  10.102
  296    HG2  GLU  42          2HG       GLU  42  -2.443   9.665  12.089
  297    HG3  GLU  42          1HG       GLU  42  -1.869   8.028  12.415
  298    H    VAL  43           H        VAL  43   0.087   9.512   7.646
  299    HA   VAL  43           HA       VAL  43  -1.716   8.454   5.627
  300    HB   VAL  43           HB       VAL  43  -0.404  10.408   4.862
  301   HG11  VAL  43          1HG1      VAL  43   1.588  10.152   6.243
  302   HG12  VAL  43          2HG1      VAL  43   2.002  10.256   4.519
  303   HG13  VAL  43          3HG1      VAL  43   1.998   8.690   5.333
  304   HG21  VAL  43          1HG2      VAL  43  -1.042   8.752   3.210
  305   HG22  VAL  43          2HG2      VAL  43   0.433   7.839   3.527
  306   HG23  VAL  43          3HG2      VAL  43   0.529   9.448   2.808
  307    H    HIS  44           H        HIS  44  -1.724   6.435   5.204
  308    HA   HIS  44           HA       HIS  44   0.656   4.851   5.782
  309    HB2  HIS  44          2HB       HIS  44  -2.209   4.135   6.423
  310    HB3  HIS  44          1HB       HIS  44  -0.954   2.919   6.271
  311    HD1  HIS  44          1HD       HIS  44  -0.180   2.195   8.576
  312    HD2  HIS  44          2HD       HIS  44  -1.216   6.218   8.429
  313    HE1  HIS  44          1HE       HIS  44   0.241   3.097  10.873
  314    H    CYS  45           H        CYS  45   0.667   2.810   4.530
  315    HA   CYS  45           HA       CYS  45  -0.113   3.489   1.813
  316    HB2  CYS  45          2HB       CYS  45   2.253   2.981   2.347
  317    HB3  CYS  45          1HB       CYS  45   1.764   1.385   2.892
  318    H    HIS  46           H        HIS  46  -1.850   2.509   0.985
  319    HA   HIS  46           HA       HIS  46  -2.882   0.161   2.318
  320    HB2  HIS  46          2HB       HIS  46  -4.096   2.085   0.325
  321    HB3  HIS  46          1HB       HIS  46  -4.884   0.582   0.782
  322    HD1  HIS  46          1HD       HIS  46  -6.841   2.238   1.702
  323    HD2  HIS  46          2HD       HIS  46  -3.225   2.305   3.734
  324    HE1  HIS  46          1HE       HIS  46  -7.313   3.391   3.886
  325    H    CYS  47           H        CYS  47  -2.471  -1.683   1.594
  326    HA   CYS  47           HA       CYS  47  -1.124  -2.026  -0.954
  327    HB2  CYS  47          2HB       CYS  47  -1.661  -3.988   1.270
  328    HB3  CYS  47          1HB       CYS  47  -0.552  -4.209  -0.082
  329    H    TYR  48           H        TYR  48  -2.110  -2.811  -2.699
  330    HA   TYR  48           HA       TYR  48  -4.722  -4.123  -2.357
  331    HB2  TYR  48          2HB       TYR  48  -3.759  -2.449  -4.681
  332    HB3  TYR  48          1HB       TYR  48  -5.320  -3.246  -4.571
  333    HD1  TYR  48          1HD       TYR  48  -3.308  -0.402  -3.583
  334    HD2  TYR  48          2HD       TYR  48  -7.022  -2.384  -3.003
  335    HE1  TYR  48          1HE       TYR  48  -4.211   1.610  -2.539
  336    HE2  TYR  48          2HE       TYR  48  -7.937  -0.369  -1.958
  337    HH   TYR  48           HH       TYR  48  -6.411   2.648  -2.115
  338    H    GLY  49           H        GLY  49  -5.057  -5.987  -3.432
  339    HA2  GLY  49          2HA       GLY  49  -3.504  -6.877  -5.624
  340    HA3  GLY  49          1HA       GLY  49  -2.966  -7.641  -4.136
  341    H    ASP  50           H        ASP  50  -3.649  -9.658  -4.782
  342    HA   ASP  50           HA       ASP  50  -6.495 -10.103  -4.412
  343    HB2  ASP  50          2HB       ASP  50  -6.267 -10.093  -6.817
  344    HB3  ASP  50          1HB       ASP  50  -4.863 -11.142  -6.733
  345    H    TYR  51           H        TYR  51  -6.772 -11.619  -2.913
  346    HA   TYR  51           HA       TYR  51  -4.460 -13.201  -2.172
  347    HB2  TYR  51          2HB       TYR  51  -5.648 -13.519  -0.009
  348    HB3  TYR  51          1HB       TYR  51  -5.318 -11.831  -0.364
  349    HD1  TYR  51          1HD       TYR  51  -7.935 -14.380   0.042
  350    HD2  TYR  51          2HD       TYR  51  -7.145 -10.291  -0.830
  351    HE1  TYR  51          1HE       TYR  51 -10.289 -13.845   0.435
  352    HE2  TYR  51          2HE       TYR  51  -9.491  -9.749  -0.444
  353    HH   TYR  51           HH       TYR  51 -11.631 -11.875   1.070
  354    H    HIS  52           H        HIS  52  -4.785 -15.352  -1.650
  355    HA   HIS  52           HA       HIS  52  -7.022 -16.592  -3.100
  356    HB2  HIS  52          2HB       HIS  52  -4.293 -17.813  -2.600
  357    HB3  HIS  52          1HB       HIS  52  -5.579 -18.484  -3.592
  358    HD1  HIS  52          1HD       HIS  52  -5.901 -17.341  -5.988
  359    HD2  HIS  52          2HD       HIS  52  -2.669 -16.025  -3.760
  360    HE1  HIS  52          1HE       HIS  52  -4.413 -16.103  -7.591
  Start of MODEL    8
    1    H1   ALA   1           H        ALA   1  -2.033 -12.444  -9.926
    2    HA   ALA   1           HA       ALA   1  -3.698 -11.778 -11.404
    3    HB1  ALA   1          1HB       ALA   1  -5.364 -11.362  -8.923
    4    HB2  ALA   1          2HB       ALA   1  -5.418 -12.772  -9.980
    5    HB3  ALA   1          3HB       ALA   1  -5.952 -11.198 -10.573
    6    H    HIS   2           H        HIS   2  -5.143  -9.578 -11.590
    7    HA   HIS   2           HA       HIS   2  -3.255  -7.464 -11.211
    8    HB2  HIS   2          2HB       HIS   2  -6.115  -7.445 -12.202
    9    HB3  HIS   2          1HB       HIS   2  -5.082  -6.021 -12.169
   10    HD1  HIS   2          1HD       HIS   2  -5.707  -9.188 -14.069
   11    HD2  HIS   2          2HD       HIS   2  -3.112  -5.944 -14.125
   12    HE1  HIS   2          1HE       HIS   2  -4.477  -9.332 -16.252
   13    H    CYS   3           H        CYS   3  -2.966  -6.517  -9.381
   14    HA   CYS   3           HA       CYS   3  -4.417  -6.899  -7.080
   15    HB2  CYS   3          2HB       CYS   3  -2.497  -4.714  -7.820
   16    HB3  CYS   3          1HB       CYS   3  -3.009  -5.109  -6.182
   17    H    ASP   4           H        ASP   4  -6.216  -6.141  -6.418
   18    HA   ASP   4           HA       ASP   4  -7.018  -3.374  -6.833
   19    HB2  ASP   4          2HB       ASP   4  -7.999  -4.408  -8.801
   20    HB3  ASP   4          1HB       ASP   4  -8.793  -5.630  -7.804
   21    H    HIS   5           H        HIS   5  -7.593  -6.510  -5.372
   22    HA   HIS   5           HA       HIS   5  -9.529  -5.504  -3.557
   23    HB2  HIS   5          2HB       HIS   5  -7.994  -8.110  -3.660
   24    HB3  HIS   5          1HB       HIS   5  -9.170  -7.733  -2.409
   25    HD1  HIS   5          1HD       HIS   5 -10.701  -9.701  -3.189
   26    HD2  HIS   5          2HD       HIS   5 -10.046  -6.767  -6.031
   27    HE1  HIS   5          1HE       HIS   5 -12.350 -10.174  -5.045
   28    H    PHE   6           H        PHE   6  -9.200  -4.469  -1.850
   29    HA   PHE   6           HA       PHE   6  -6.677  -3.647  -0.914
   30    HB2  PHE   6          2HB       PHE   6  -8.609  -2.252  -0.567
   31    HB3  PHE   6          1HB       PHE   6  -9.444  -3.531   0.295
   32    HD1  PHE   6          1HD       PHE   6  -9.226  -3.776   2.589
   33    HD2  PHE   6          2HD       PHE   6  -6.603  -1.130   0.521
   34    HE1  PHE   6          1HE       PHE   6  -8.447  -2.876   4.734
   35    HE2  PHE   6          2HE       PHE   6  -5.828  -0.238   2.664
   36    HZ   PHE   6           HZ       PHE   6  -6.751  -1.107   4.772
   37    H    LEU   7           H        LEU   7  -5.287  -4.746   0.219
   38    HA   LEU   7           HA       LEU   7  -6.145  -7.176   1.583
   39    HB2  LEU   7          2HB       LEU   7  -3.430  -6.143   0.819
   40    HB3  LEU   7          1HB       LEU   7  -3.680  -7.643   1.673
   41    HG   LEU   7           HG       LEU   7  -4.593  -6.990  -1.135
   42   HD11  LEU   7          1HD1      LEU   7  -2.255  -7.348  -1.067
   43   HD12  LEU   7          2HD1      LEU   7  -3.007  -8.792  -1.747
   44   HD13  LEU   7          3HD1      LEU   7  -2.441  -8.794  -0.077
   45   HD21  LEU   7          1HD2      LEU   7  -4.917  -9.538   0.450
   46   HD22  LEU   7          2HD2      LEU   7  -5.268  -9.346  -1.268
   47   HD23  LEU   7          3HD2      LEU   7  -6.215  -8.460  -0.076
   48    H    GLY   8           H        GLY   8  -4.041  -4.357   2.191
   49    HA2  GLY   8          2HA       GLY   8  -4.981  -4.201   4.864
   50    HA3  GLY   8          1HA       GLY   8  -3.369  -4.896   4.759
   51    H    GLU   9           H        GLU   9  -3.019  -2.948   6.082
   52    HA   GLU   9           HA       GLU   9  -2.652  -0.537   4.434
   53    HB2  GLU   9          2HB       GLU   9  -3.192  -0.740   7.399
   54    HB3  GLU   9          1HB       GLU   9  -3.017   0.744   6.469
   55    HG2  GLU   9          2HG       GLU   9  -5.026   0.300   5.260
   56    HG3  GLU   9          1HG       GLU   9  -5.135  -1.308   5.976
   57    H    ALA  10           H        ALA  10  -0.633   0.154   4.335
   58    HA   ALA  10           HA       ALA  10   1.301  -0.964   6.238
   59    HB1  ALA  10          1HB       ALA  10   1.701  -1.686   3.932
   60    HB2  ALA  10          2HB       ALA  10   3.009  -0.654   4.516
   61    HB3  ALA  10          3HB       ALA  10   1.794  -0.000   3.417
   62    HA   PRO  11           HA       PRO  11   2.011   3.300   7.345
   63    HB2  PRO  11          2HB       PRO  11   4.082   2.923   9.044
   64    HB3  PRO  11          1HB       PRO  11   2.429   2.483   9.484
   65    HG2  PRO  11          2HG       PRO  11   4.675   0.735   8.610
   66    HG3  PRO  11          1HG       PRO  11   3.401   0.418   9.798
   67    HD2  PRO  11          2HD       PRO  11   3.422  -0.519   7.183
   68    HD3  PRO  11          1HD       PRO  11   1.985  -0.380   8.212
   69    H    VAL  12           H        VAL  12   2.752   4.086   5.344
   70    HA   VAL  12           HA       VAL  12   5.636   3.772   4.867
   71    HB   VAL  12           HB       VAL  12   3.499   4.294   2.779
   72   HG11  VAL  12          1HG1      VAL  12   5.631   5.312   2.188
   73   HG12  VAL  12          2HG1      VAL  12   5.293   3.931   1.144
   74   HG13  VAL  12          3HG1      VAL  12   6.454   3.777   2.462
   75   HG21  VAL  12          1HG2      VAL  12   3.375   2.011   3.632
   76   HG22  VAL  12          2HG2      VAL  12   5.099   1.800   3.329
   77   HG23  VAL  12          3HG2      VAL  12   3.988   2.028   1.977
   78    H    TYR  13           H        TYR  13   6.516   5.552   5.744
   79    HA   TYR  13           HA       TYR  13   5.788   8.062   4.523
   80    HB2  TYR  13          2HB       TYR  13   4.517   7.844   6.724
   81    HB3  TYR  13          1HB       TYR  13   6.081   7.817   7.530
   82    HD1  TYR  13          1HD       TYR  13   7.214   9.847   8.012
   83    HD2  TYR  13          2HD       TYR  13   3.881   9.876   5.377
   84    HE1  TYR  13          1HE       TYR  13   7.211  12.303   8.037
   85    HE2  TYR  13          2HE       TYR  13   3.868  12.312   5.398
   86    HH   TYR  13           HH       TYR  13   4.594  14.103   6.791
   87    HA   PRO  14           HA       PRO  14   6.754  10.153   4.342
   88    HB2  PRO  14          2HB       PRO  14   8.366  10.838   2.236
   89    HB3  PRO  14          1HB       PRO  14   8.547  11.485   3.874
   90    HG2  PRO  14          2HG       PRO  14  10.046   9.260   2.546
   91    HG3  PRO  14          1HG       PRO  14  10.664  10.578   3.559
   92    HD2  PRO  14          2HD       PRO  14  10.287   8.097   4.532
   93    HD3  PRO  14          1HD       PRO  14  10.015   9.545   5.521
   94    H    CYS  15           H        CYS  15   5.463  10.280   2.480
   95    HA   CYS  15           HA       CYS  15   5.004   7.682   1.393
   96    HB2  CYS  15          2HB       CYS  15   3.061   8.698   2.127
   97    HB3  CYS  15          1HB       CYS  15   3.421  10.218   1.320
   98    H    LYS  16           H        LYS  16   5.997   7.030  -0.243
   99    HA   LYS  16           HA       LYS  16   5.965   8.674  -2.649
  100    HB2  LYS  16          2HB       LYS  16   8.142   6.803  -1.712
  101    HB3  LYS  16          1HB       LYS  16   7.921   7.154  -3.411
  102    HG2  LYS  16          2HG       LYS  16   9.678   8.503  -2.592
  103    HG3  LYS  16          1HG       LYS  16   8.302   9.561  -2.886
  104    HD2  LYS  16          2HD       LYS  16   7.782   9.515  -0.532
  105    HD3  LYS  16          1HD       LYS  16   9.168   8.464  -0.220
  106    HE2  LYS  16          2HE       LYS  16   9.263  11.274  -1.343
  107    HE3  LYS  16          1HE       LYS  16   9.719  10.808   0.292
  108    HZ1  LYS  16          1HZ       LYS  16  11.086   9.947  -2.211
  109    HZ2  LYS  16          2HZ       LYS  16  11.509   9.458  -0.663
  110    HZ3  LYS  16          3HZ       LYS  16  11.661  11.072  -1.098
  111    H    GLU  17           H        GLU  17   5.403   7.596  -4.452
  112    HA   GLU  17           HA       GLU  17   3.616   5.396  -4.090
  113    HB2  GLU  17          2HB       GLU  17   4.764   6.434  -6.692
  114    HB3  GLU  17          1HB       GLU  17   3.390   5.366  -6.529
  115    HG2  GLU  17          2HG       GLU  17   2.582   7.537  -7.059
  116    HG3  GLU  17          1HG       GLU  17   2.176   7.220  -5.372
  117    H    LYS  18           H        LYS  18   6.803   5.859  -5.402
  118    HA   LYS  18           HA       LYS  18   7.453   3.266  -6.210
  119    HB2  LYS  18          2HB       LYS  18   9.152   5.472  -5.069
  120    HB3  LYS  18          1HB       LYS  18   9.834   3.957  -5.626
  121    HG2  LYS  18          2HG       LYS  18   9.007   4.382  -7.857
  122    HG3  LYS  18          1HG       LYS  18   8.259   5.886  -7.317
  123    HD2  LYS  18          2HD       LYS  18  10.391   6.844  -6.809
  124    HD3  LYS  18          1HD       LYS  18  11.207   5.304  -7.066
  125    HE2  LYS  18          2HE       LYS  18   9.750   6.887  -9.178
  126    HE3  LYS  18          1HE       LYS  18  11.498   6.849  -8.952
  127    HZ1  LYS  18          1HZ       LYS  18   9.797   4.509  -9.626
  128    HZ2  LYS  18          2HZ       LYS  18  11.461   4.468  -9.420
  129    HZ3  LYS  18          3HZ       LYS  18  10.793   5.320 -10.700
  130    H    ALA  19           H        ALA  19   7.514   4.774  -3.072
  131    HA   ALA  19           HA       ALA  19   8.764   2.618  -1.725
  132    HB1  ALA  19          1HB       ALA  19   8.032   3.749   0.330
  133    HB2  ALA  19          2HB       ALA  19   7.056   4.858  -0.631
  134    HB3  ALA  19          3HB       ALA  19   8.813   4.871  -0.779
  135    H    CYS  20           H        CYS  20   5.372   3.762  -1.769
  136    HA   CYS  20           HA       CYS  20   4.285   1.660  -0.345
  137    HB2  CYS  20          2HB       CYS  20   3.191   3.632  -2.247
  138    HB3  CYS  20          1HB       CYS  20   2.197   2.223  -1.897
  139    H    LYS  21           H        LYS  21   4.719   1.828  -3.865
  140    HA   LYS  21           HA       LYS  21   3.370  -0.592  -4.354
  141    HB2  LYS  21          2HB       LYS  21   3.828   1.253  -6.012
  142    HB3  LYS  21          1HB       LYS  21   5.487   0.700  -6.077
  143    HG2  LYS  21          2HG       LYS  21   4.809  -1.404  -7.036
  144    HG3  LYS  21          1HG       LYS  21   3.110  -0.996  -6.811
  145    HD2  LYS  21          2HD       LYS  21   3.335   0.882  -8.353
  146    HD3  LYS  21          1HD       LYS  21   5.046   0.519  -8.556
  147    HE2  LYS  21          2HE       LYS  21   3.731  -0.318 -10.433
  148    HE3  LYS  21          1HE       LYS  21   4.493  -1.627  -9.540
  149    HZ1  LYS  21          1HZ       LYS  21   2.213  -2.118 -10.167
  150    HZ2  LYS  21          2HZ       LYS  21   1.635  -0.815  -9.276
  151    HZ3  LYS  21          3HZ       LYS  21   2.367  -2.126  -8.495
  152    H    SER  22           H        SER  22   6.554   0.073  -3.229
  153    HA   SER  22           HA       SER  22   7.527  -2.606  -3.768
  154    HB2  SER  22          2HB       SER  22   9.125  -0.706  -3.918
  155    HB3  SER  22          1HB       SER  22   8.783  -0.294  -2.247
  156    HG   SER  22           HG       SER  22   9.714  -2.208  -1.571
  157    H    VAL  23           H        VAL  23   6.877  -0.544  -0.938
  158    HA   VAL  23           HA       VAL  23   7.429  -2.404   1.042
  159    HB   VAL  23           HB       VAL  23   5.605   0.028   1.164
  160   HG11  VAL  23          1HG1      VAL  23   6.791  -1.595   3.409
  161   HG12  VAL  23          2HG1      VAL  23   5.075  -1.437   3.019
  162   HG13  VAL  23          3HG1      VAL  23   5.983  -0.044   3.601
  163   HG21  VAL  23          1HG2      VAL  23   8.479  -0.346   1.989
  164   HG22  VAL  23          2HG2      VAL  23   7.525   1.122   2.200
  165   HG23  VAL  23          3HG2      VAL  23   7.909   0.547   0.578
  166    H    CYS  24           H        CYS  24   4.367  -1.759  -0.612
  167    HA   CYS  24           HA       CYS  24   2.878  -3.467   1.007
  168    HB2  CYS  24          2HB       CYS  24   2.416  -2.526  -1.807
  169    HB3  CYS  24          1HB       CYS  24   1.281  -3.581  -0.968
  170    H    LYS  25           H        LYS  25   5.088  -4.250  -1.591
  171    HA   LYS  25           HA       LYS  25   4.088  -6.953  -1.894
  172    HB2  LYS  25          2HB       LYS  25   6.748  -5.787  -2.747
  173    HB3  LYS  25          1HB       LYS  25   6.140  -7.367  -3.189
  174    HG2  LYS  25          2HG       LYS  25   4.252  -6.173  -4.351
  175    HG3  LYS  25          1HG       LYS  25   5.166  -4.679  -4.096
  176    HD2  LYS  25          2HD       LYS  25   7.093  -5.665  -5.255
  177    HD3  LYS  25          1HD       LYS  25   6.172  -7.143  -5.523
  178    HE2  LYS  25          2HE       LYS  25   6.062  -5.923  -7.538
  179    HE3  LYS  25          1HE       LYS  25   4.497  -5.722  -6.759
  180    HZ1  LYS  25          1HZ       LYS  25   6.719  -3.771  -6.864
  181    HZ2  LYS  25          2HZ       LYS  25   5.363  -3.519  -5.919
  182    HZ3  LYS  25          3HZ       LYS  25   5.229  -3.646  -7.612
  183    H    GLU  26           H        GLU  26   6.189  -5.231   0.119
  184    HA   GLU  26           HA       GLU  26   7.746  -7.467   1.020
  185    HB2  GLU  26          2HB       GLU  26   7.513  -4.613   2.005
  186    HB3  GLU  26          1HB       GLU  26   8.688  -5.782   2.602
  187    HG2  GLU  26          2HG       GLU  26   9.773  -5.912   0.493
  188    HG3  GLU  26          1HG       GLU  26   8.475  -5.021  -0.291
  189    H    HIS  27           H        HIS  27   5.068  -5.517   2.196
  190    HA   HIS  27           HA       HIS  27   4.758  -7.028   4.610
  191    HB2  HIS  27          2HB       HIS  27   3.013  -5.010   3.221
  192    HB3  HIS  27          1HB       HIS  27   2.427  -5.898   4.615
  193    HD1  HIS  27          1HD       HIS  27   3.001  -4.906   6.854
  194    HD2  HIS  27          2HD       HIS  27   5.301  -3.395   3.770
  195    HE1  HIS  27          1HE       HIS  27   4.326  -3.014   7.860
  196    H    TYR  28           H        TYR  28   3.105  -6.991   1.460
  197    HA   TYR  28           HA       TYR  28   1.889  -9.551   2.185
  198    HB2  TYR  28          2HB       TYR  28   0.679  -7.398   0.440
  199    HB3  TYR  28          1HB       TYR  28  -0.084  -8.909   0.915
  200    HD1  TYR  28          1HD       TYR  28  -0.910  -9.188   3.232
  201    HD2  TYR  28          2HD       TYR  28   0.739  -5.507   1.889
  202    HE1  TYR  28          1HE       TYR  28  -1.868  -8.054   5.172
  203    HE2  TYR  28          2HE       TYR  28  -0.204  -4.360   3.831
  204    HH   TYR  28           HH       TYR  28  -1.436  -6.031   6.489
  205    H    HIS  29           H        HIS  29   2.718 -11.062   0.898
  206    HA   HIS  29           HA       HIS  29   4.151 -10.386  -1.471
  207    HB2  HIS  29          2HB       HIS  29   3.339 -13.091  -0.376
  208    HB3  HIS  29          1HB       HIS  29   4.329 -12.883  -1.817
  209    HD1  HIS  29          1HD       HIS  29   5.443 -14.359   0.716
  210    HD2  HIS  29          2HD       HIS  29   6.001 -10.324  -0.131
  211    HE1  HIS  29          1HE       HIS  29   7.545 -13.679   1.918
  212    H    HIS  30           H        HIS  30   0.908 -10.894  -0.848
  213    HA   HIS  30           HA       HIS  30   0.263 -11.530  -3.615
  214    HB2  HIS  30          2HB       HIS  30  -1.419 -11.243  -1.144
  215    HB3  HIS  30          1HB       HIS  30  -2.153 -11.268  -2.737
  216    HD1  HIS  30          1HD       HIS  30  -3.204 -13.501  -2.928
  217    HD2  HIS  30          2HD       HIS  30   0.600 -13.703  -1.275
  218    HE1  HIS  30          1HE       HIS  30  -2.707 -15.972  -2.610
  219    H    ALA  31           H        ALA  31   1.119  -8.759  -2.089
  220    HA   ALA  31           HA       ALA  31  -0.843  -7.099  -3.499
  221    HB1  ALA  31          1HB       ALA  31  -0.479  -6.582  -1.104
  222    HB2  ALA  31          2HB       ALA  31  -0.033  -5.248  -2.162
  223    HB3  ALA  31          3HB       ALA  31   1.219  -6.269  -1.461
  224    H    CYS  32           H        CYS  32  -0.253  -5.760  -5.078
  225    HA   CYS  32           HA       CYS  32   2.616  -5.493  -5.685
  226    HB2  CYS  32          2HB       CYS  32   2.297  -5.922  -8.041
  227    HB3  CYS  32          1HB       CYS  32   1.616  -7.267  -7.140
  228    H    LYS  33           H        LYS  33  -0.238  -3.942  -5.061
  229    HA   LYS  33           HA       LYS  33   0.593  -1.496  -6.451
  230    HB2  LYS  33          2HB       LYS  33  -1.285  -2.643  -7.640
  231    HB3  LYS  33          1HB       LYS  33  -2.226  -2.578  -6.170
  232    HG2  LYS  33          2HG       LYS  33  -2.334  -0.163  -6.305
  233    HG3  LYS  33          1HG       LYS  33  -1.244  -0.166  -7.696
  234    HD2  LYS  33          2HD       LYS  33  -2.917  -1.587  -8.906
  235    HD3  LYS  33          1HD       LYS  33  -4.017  -1.353  -7.555
  236    HE2  LYS  33          2HE       LYS  33  -2.861   0.876  -9.236
  237    HE3  LYS  33          1HE       LYS  33  -4.432   0.141  -9.511
  238    HZ1  LYS  33          1HZ       LYS  33  -3.641   1.752  -7.097
  239    HZ2  LYS  33          2HZ       LYS  33  -5.061   0.886  -7.262
  240    HZ3  LYS  33          3HZ       LYS  33  -4.727   2.129  -8.318
  241    H    GLY  34           H        GLY  34   0.679   0.202  -5.065
  242    HA2  GLY  34          2HA       GLY  34  -0.841   0.062  -2.598
  243    HA3  GLY  34          1HA       GLY  34   0.914   0.070  -2.450
  244    H    GLU  35           H        GLU  35  -1.354   2.012  -1.859
  245    HA   GLU  35           HA       GLU  35   0.122   4.331  -2.734
  246    HB2  GLU  35          2HB       GLU  35  -1.957   5.431  -3.664
  247    HB3  GLU  35          1HB       GLU  35  -1.244   4.158  -4.644
  248    HG2  GLU  35          2HG       GLU  35  -2.910   2.594  -3.644
  249    HG3  GLU  35          1HG       GLU  35  -3.713   4.003  -2.944
  250    H    CYS  36           H        CYS  36  -0.265   6.191  -1.563
  251    HA   CYS  36           HA       CYS  36  -0.999   5.637   1.144
  252    HB2  CYS  36          2HB       CYS  36  -0.193   8.241  -0.078
  253    HB3  CYS  36          1HB       CYS  36  -0.162   7.803   1.624
  254    H    GLU  37           H        GLU  37  -2.497   6.601   2.368
  255    HA   GLU  37           HA       GLU  37  -4.347   8.493   1.210
  256    HB2  GLU  37          2HB       GLU  37  -4.908   6.042   2.857
  257    HB3  GLU  37          1HB       GLU  37  -6.031   7.394   2.809
  258    HG2  GLU  37          2HG       GLU  37  -5.074   5.943   0.360
  259    HG3  GLU  37          1HG       GLU  37  -6.546   5.523   1.236
  260    H    TYR  38           H        TYR  38  -3.795  10.301   2.173
  261    HA   TYR  38           HA       TYR  38  -2.799  10.317   4.881
  262    HB2  TYR  38          2HB       TYR  38  -3.095  12.449   2.794
  263    HB3  TYR  38          1HB       TYR  38  -2.833  12.888   4.475
  264    HD1  TYR  38          1HD       TYR  38  -0.738  12.198   5.590
  265    HD2  TYR  38          2HD       TYR  38  -1.309  11.688   1.405
  266    HE1  TYR  38          1HE       TYR  38   1.673  11.989   5.304
  267    HE2  TYR  38          2HE       TYR  38   1.115  11.467   1.103
  268    HH   TYR  38           HH       TYR  38   3.184  12.232   2.355
  269    H    HIS  39           H        HIS  39  -4.237   9.973   6.326
  270    HA   HIS  39           HA       HIS  39  -6.284  11.913   6.681
  271    HB2  HIS  39          2HB       HIS  39  -8.036  10.099   7.156
  272    HB3  HIS  39          1HB       HIS  39  -7.682  10.425   5.470
  273    HD1  HIS  39          1HD       HIS  39  -7.634   8.275   4.151
  274    HD2  HIS  39          2HD       HIS  39  -6.348   7.750   8.057
  275    HE1  HIS  39          1HE       HIS  39  -7.166   5.827   4.392
  276    H    GLY  40           H        GLY  40  -5.923  12.623   8.584
  277    HA2  GLY  40          2HA       GLY  40  -6.011  12.423  10.945
  278    HA3  GLY  40          1HA       GLY  40  -5.565  10.724  10.792
  279    H    ARG  41           H        ARG  41  -3.841  11.079  12.342
  280    HA   ARG  41           HA       ARG  41  -1.747  12.927  11.623
  281    HB2  ARG  41          2HB       ARG  41  -2.219  12.297  14.013
  282    HB3  ARG  41          1HB       ARG  41  -1.647  10.673  13.649
  283    HG2  ARG  41          2HG       ARG  41   0.514  11.821  12.868
  284    HG3  ARG  41          1HG       ARG  41  -0.085  13.228  13.740
  285    HD2  ARG  41          2HD       ARG  41   0.403  10.491  14.900
  286    HD3  ARG  41          1HD       ARG  41   1.456  11.884  15.082
  287    HE   ARG  41           HE       ARG  41  -1.039  12.608  16.038
  288   HH11  ARG  41          1HH1      ARG  41   1.552  10.307  16.819
  289   HH12  ARG  41          2HH1      ARG  41   1.215  10.279  18.489
  290   HH21  ARG  41          1HH2      ARG  41  -1.507  12.529  18.396
  291   HH22  ARG  41          2HH2      ARG  41  -0.534  11.530  19.383
  292    H    GLU  42           H        GLU  42  -2.440   9.518  11.342
  293    HA   GLU  42           HA       GLU  42   0.237   8.928  10.384
  294    HB2  GLU  42          2HB       GLU  42  -2.103   7.070  10.792
  295    HB3  GLU  42          1HB       GLU  42  -0.437   6.610  10.508
  296    HG2  GLU  42          2HG       GLU  42  -1.577   7.933  12.956
  297    HG3  GLU  42          1HG       GLU  42  -0.953   6.294  12.818
  298    H    VAL  43           H        VAL  43   0.549   7.907   8.372
  299    HA   VAL  43           HA       VAL  43  -1.586   8.441   6.459
  300    HB   VAL  43           HB       VAL  43   0.543   9.535   5.862
  301   HG11  VAL  43          1HG1      VAL  43   2.512   8.237   5.223
  302   HG12  VAL  43          2HG1      VAL  43   1.720   6.774   5.806
  303   HG13  VAL  43          3HG1      VAL  43   2.127   8.067   6.940
  304   HG21  VAL  43          1HG2      VAL  43   0.815   8.673   3.579
  305   HG22  VAL  43          2HG2      VAL  43  -0.881   8.819   4.035
  306   HG23  VAL  43          3HG2      VAL  43  -0.105   7.235   4.025
  307    H    HIS  44           H        HIS  44  -2.571   6.812   5.438
  308    HA   HIS  44           HA       HIS  44  -1.645   4.130   6.166
  309    HB2  HIS  44          2HB       HIS  44  -4.386   5.138   5.455
  310    HB3  HIS  44          1HB       HIS  44  -4.003   3.437   5.624
  311    HD1  HIS  44          1HD       HIS  44  -4.998   2.655   7.785
  312    HD2  HIS  44          2HD       HIS  44  -3.320   6.445   8.140
  313    HE1  HIS  44          1HE       HIS  44  -5.159   3.250  10.206
  314    H    CYS  45           H        CYS  45  -0.673   3.137   4.621
  315    HA   CYS  45           HA       CYS  45  -1.283   3.884   1.879
  316    HB2  CYS  45          2HB       CYS  45   1.108   3.783   2.499
  317    HB3  CYS  45          1HB       CYS  45   0.912   2.097   2.969
  318    H    HIS  46           H        HIS  46  -2.620   2.776   0.733
  319    HA   HIS  46           HA       HIS  46  -3.721   0.359   1.824
  320    HB2  HIS  46          2HB       HIS  46  -4.498   2.110  -0.510
  321    HB3  HIS  46          1HB       HIS  46  -5.296   0.586  -0.152
  322    HD1  HIS  46          1HD       HIS  46  -7.488   2.120   0.149
  323    HD2  HIS  46          2HD       HIS  46  -4.481   2.586   2.964
  324    HE1  HIS  46          1HE       HIS  46  -8.547   3.360   2.085
  325    H    CYS  47           H        CYS  47  -2.940  -1.439   1.360
  326    HA   CYS  47           HA       CYS  47  -1.360  -1.821  -1.056
  327    HB2  CYS  47          2HB       CYS  47  -1.734  -3.627   1.342
  328    HB3  CYS  47          1HB       CYS  47  -0.631  -3.898   0.005
  329    H    TYR  48           H        TYR  48  -2.318  -2.600  -2.755
  330    HA   TYR  48           HA       TYR  48  -4.783  -4.147  -2.446
  331    HB2  TYR  48          2HB       TYR  48  -3.712  -2.669  -4.856
  332    HB3  TYR  48          1HB       TYR  48  -5.231  -3.549  -4.787
  333    HD1  TYR  48          1HD       TYR  48  -3.550  -0.433  -4.154
  334    HD2  TYR  48          2HD       TYR  48  -7.046  -2.687  -3.261
  335    HE1  TYR  48          1HE       TYR  48  -4.692   1.619  -3.417
  336    HE2  TYR  48          2HE       TYR  48  -8.184  -0.653  -2.527
  337    HH   TYR  48           HH       TYR  48  -7.034   2.441  -3.164
  338    H    GLY  49           H        GLY  49  -4.968  -6.086  -3.411
  339    HA2  GLY  49          2HA       GLY  49  -3.000  -7.110  -5.222
  340    HA3  GLY  49          1HA       GLY  49  -2.950  -7.849  -3.624
  341    H    ASP  50           H        ASP  50  -3.647  -9.843  -4.356
  342    HA   ASP  50           HA       ASP  50  -6.513  -9.953  -4.619
  343    HB2  ASP  50          2HB       ASP  50  -6.445 -11.639  -6.335
  344    HB3  ASP  50          1HB       ASP  50  -5.576 -10.235  -6.933
  345    H    TYR  51           H        TYR  51  -7.350 -11.521  -3.363
  346    HA   TYR  51           HA       TYR  51  -5.510 -13.434  -2.158
  347    HB2  TYR  51          2HB       TYR  51  -5.749 -11.478  -0.660
  348    HB3  TYR  51          1HB       TYR  51  -7.490 -11.679  -0.687
  349    HD1  TYR  51          1HD       TYR  51  -4.327 -13.119   0.481
  350    HD2  TYR  51          2HD       TYR  51  -8.549 -13.286   0.723
  351    HE1  TYR  51          1HE       TYR  51  -4.150 -14.533   2.472
  352    HE2  TYR  51          2HE       TYR  51  -8.402 -14.698   2.702
  353    HH   TYR  51           HH       TYR  51  -6.804 -16.219   3.743
  354    H    HIS  52           H        HIS  52  -6.355 -15.339  -2.651
  355    HA   HIS  52           HA       HIS  52  -9.279 -15.580  -2.663
  356    HB2  HIS  52          2HB       HIS  52  -7.301 -17.066  -4.412
  357    HB3  HIS  52          1HB       HIS  52  -9.050 -17.265  -4.428
  358    HD1  HIS  52          1HD       HIS  52  -6.332 -15.218  -5.825
  359    HD2  HIS  52          2HD       HIS  52 -10.451 -14.989  -5.475
  360    HE1  HIS  52          1HE       HIS  52  -7.062 -13.499  -7.520
  Start of MODEL    9
    1    H1   ALA   1           H        ALA   1  -4.436 -10.824  -8.851
    2    HA   ALA   1           HA       ALA   1  -3.059 -10.031 -11.362
    3    HB1  ALA   1          1HB       ALA   1  -4.369 -12.111 -11.618
    4    HB2  ALA   1          2HB       ALA   1  -4.993 -10.790 -12.604
    5    HB3  ALA   1          3HB       ALA   1  -5.817 -11.237 -11.114
    6    H    HIS   2           H        HIS   2  -6.275  -9.608  -9.818
    7    HA   HIS   2           HA       HIS   2  -6.284  -6.932 -10.868
    8    HB2  HIS   2          2HB       HIS   2  -8.651  -6.856  -9.913
    9    HB3  HIS   2          1HB       HIS   2  -8.380  -7.993 -11.222
   10    HD1  HIS   2          1HD       HIS   2  -8.937  -7.936  -7.432
   11    HD2  HIS   2          2HD       HIS   2  -8.948 -10.586 -10.651
   12    HE1  HIS   2          1HE       HIS   2  -9.796 -10.116  -6.549
   13    H    CYS   3           H        CYS   3  -6.005  -5.172  -9.787
   14    HA   CYS   3           HA       CYS   3  -5.265  -5.417  -6.975
   15    HB2  CYS   3          2HB       CYS   3  -4.837  -3.127  -8.878
   16    HB3  CYS   3          1HB       CYS   3  -4.099  -3.347  -7.293
   17    H    ASP   4           H        ASP   4  -7.490  -5.483  -6.311
   18    HA   ASP   4           HA       ASP   4  -8.781  -2.860  -6.503
   19    HB2  ASP   4          2HB       ASP   4 -10.981  -3.958  -6.410
   20    HB3  ASP   4          1HB       ASP   4 -10.054  -4.526  -7.787
   21    H    HIS   5           H        HIS   5  -8.522  -5.721  -4.433
   22    HA   HIS   5           HA       HIS   5  -9.481  -4.053  -2.296
   23    HB2  HIS   5          2HB       HIS   5  -9.352  -7.005  -2.564
   24    HB3  HIS   5          1HB       HIS   5  -9.424  -6.290  -0.958
   25    HD1  HIS   5          1HD       HIS   5 -11.628  -7.493  -3.516
   26    HD2  HIS   5          2HD       HIS   5 -11.658  -4.308  -0.860
   27    HE1  HIS   5          1HE       HIS   5 -14.021  -6.748  -3.363
   28    H    PHE   6           H        PHE   6  -8.713  -3.950  -0.318
   29    HA   PHE   6           HA       PHE   6  -5.895  -3.382  -0.232
   30    HB2  PHE   6          2HB       PHE   6  -8.062  -3.072   1.876
   31    HB3  PHE   6          1HB       PHE   6  -6.445  -2.403   1.950
   32    HD1  PHE   6          1HD       PHE   6  -9.611  -2.245  -0.043
   33    HD2  PHE   6          2HD       PHE   6  -6.058  -0.248   1.189
   34    HE1  PHE   6          1HE       PHE   6 -10.436  -0.167  -1.048
   35    HE2  PHE   6          2HE       PHE   6  -6.880   1.832   0.174
   36    HZ   PHE   6           HZ       PHE   6  -9.073   1.875  -0.946
   37    H    LEU   7           H        LEU   7  -4.595  -4.981   0.306
   38    HA   LEU   7           HA       LEU   7  -5.462  -7.324   1.769
   39    HB2  LEU   7          2HB       LEU   7  -2.701  -6.405   0.993
   40    HB3  LEU   7          1HB       LEU   7  -3.102  -7.984   1.633
   41    HG   LEU   7           HG       LEU   7  -4.056  -6.890  -1.008
   42   HD11  LEU   7          1HD1      LEU   7  -2.526  -8.545  -1.944
   43   HD12  LEU   7          2HD1      LEU   7  -1.957  -8.919  -0.315
   44   HD13  LEU   7          3HD1      LEU   7  -1.689  -7.316  -1.000
   45   HD21  LEU   7          1HD2      LEU   7  -4.803  -9.185  -1.401
   46   HD22  LEU   7          2HD2      LEU   7  -5.635  -8.461  -0.029
   47   HD23  LEU   7          3HD2      LEU   7  -4.335  -9.621   0.242
   48    H    GLY   8           H        GLY   8  -3.841  -4.343   2.360
   49    HA2  GLY   8          2HA       GLY   8  -4.409  -4.101   4.976
   50    HA3  GLY   8          1HA       GLY   8  -2.857  -4.946   4.927
   51    H    GLU   9           H        GLU   9  -2.619  -2.660   6.039
   52    HA   GLU   9           HA       GLU   9  -1.850  -0.713   3.996
   53    HB2  GLU   9          2HB       GLU   9  -1.637   0.868   5.853
   54    HB3  GLU   9          1HB       GLU   9  -3.220   0.104   5.905
   55    HG2  GLU   9          2HG       GLU   9  -2.488  -1.375   7.657
   56    HG3  GLU   9          1HG       GLU   9  -0.857  -0.713   7.572
   57    H    ALA  10           H        ALA  10   0.282   0.198   4.169
   58    HA   ALA  10           HA       ALA  10   2.148  -1.510   5.612
   59    HB1  ALA  10          1HB       ALA  10   3.821  -1.087   3.899
   60    HB2  ALA  10          2HB       ALA  10   2.638  -0.187   2.936
   61    HB3  ALA  10          3HB       ALA  10   2.420  -1.919   3.239
   62    HA   PRO  11           HA       PRO  11   2.893   2.276   7.667
   63    HB2  PRO  11          2HB       PRO  11   4.795   1.433   9.359
   64    HB3  PRO  11          1HB       PRO  11   3.104   0.933   9.507
   65    HG2  PRO  11          2HG       PRO  11   5.400  -0.554   8.276
   66    HG3  PRO  11          1HG       PRO  11   4.145  -1.164   9.379
   67    HD2  PRO  11          2HD       PRO  11   4.091  -1.503   6.687
   68    HD3  PRO  11          1HD       PRO  11   2.623  -1.389   7.677
   69    H    VAL  12           H        VAL  12   3.778   3.554   5.987
   70    HA   VAL  12           HA       VAL  12   6.609   3.956   6.330
   71    HB   VAL  12           HB       VAL  12   6.725   4.655   3.895
   72   HG11  VAL  12          1HG1      VAL  12   7.110   2.363   3.043
   73   HG12  VAL  12          2HG1      VAL  12   6.288   1.724   4.469
   74   HG13  VAL  12          3HG1      VAL  12   7.801   2.607   4.648
   75   HG21  VAL  12          1HG2      VAL  12   4.212   3.005   3.676
   76   HG22  VAL  12          2HG2      VAL  12   5.167   3.579   2.310
   77   HG23  VAL  12          3HG2      VAL  12   4.358   4.736   3.369
   78    H    TYR  13           H        TYR  13   6.852   5.906   7.135
   79    HA   TYR  13           HA       TYR  13   5.493   8.124   5.933
   80    HB2  TYR  13          2HB       TYR  13   3.959   7.233   7.794
   81    HB3  TYR  13          1HB       TYR  13   5.222   7.708   8.921
   82    HD1  TYR  13          1HD       TYR  13   2.467   8.832   6.853
   83    HD2  TYR  13          2HD       TYR  13   5.772  10.136   9.189
   84    HE1  TYR  13          1HE       TYR  13   1.515  11.104   6.937
   85    HE2  TYR  13          2HE       TYR  13   4.832  12.396   9.269
   86    HH   TYR  13           HH       TYR  13   3.270  13.790   7.937
   87    HA   PRO  14           HA       PRO  14   5.815  10.295   5.804
   88    HB2  PRO  14          2HB       PRO  14   7.562  11.527   4.094
   89    HB3  PRO  14          1HB       PRO  14   7.125  12.154   5.694
   90    HG2  PRO  14          2HG       PRO  14   9.531  10.579   4.870
   91    HG3  PRO  14          1HG       PRO  14   9.430  12.006   5.921
   92    HD2  PRO  14          2HD       PRO  14   9.651   9.501   6.906
   93    HD3  PRO  14          1HD       PRO  14   8.733  10.770   7.741
   94    H    CYS  15           H        CYS  15   4.816   9.587   4.110
   95    HA   CYS  15           HA       CYS  15   5.673   7.142   2.846
   96    HB2  CYS  15          2HB       CYS  15   3.418   7.411   3.779
   97    HB3  CYS  15          1HB       CYS  15   3.140   8.766   2.704
   98    H    LYS  16           H        LYS  16   6.182   6.818   0.798
   99    HA   LYS  16           HA       LYS  16   5.895   8.943  -1.174
  100    HB2  LYS  16          2HB       LYS  16   8.307   7.229  -0.622
  101    HB3  LYS  16          1HB       LYS  16   8.037   7.990  -2.178
  102    HG2  LYS  16          2HG       LYS  16   8.326   9.410   0.447
  103    HG3  LYS  16          1HG       LYS  16   9.569   9.265  -0.809
  104    HD2  LYS  16          2HD       LYS  16   7.976  10.390  -2.380
  105    HD3  LYS  16          1HD       LYS  16   6.916  10.658  -0.994
  106    HE2  LYS  16          2HE       LYS  16   8.225  12.652  -1.418
  107    HE3  LYS  16          1HE       LYS  16   8.685  11.907   0.109
  108    HZ1  LYS  16          1HZ       LYS  16  10.656  10.996  -0.913
  109    HZ2  LYS  16          2HZ       LYS  16  10.610  12.639  -1.262
  110    HZ3  LYS  16          3HZ       LYS  16  10.153  11.521  -2.428
  111    H    GLU  17           H        GLU  17   5.623   8.166  -3.280
  112    HA   GLU  17           HA       GLU  17   3.916   5.938  -3.381
  113    HB2  GLU  17          2HB       GLU  17   3.912   6.245  -5.868
  114    HB3  GLU  17          1HB       GLU  17   3.449   7.638  -4.907
  115    HG2  GLU  17          2HG       GLU  17   5.549   8.695  -5.306
  116    HG3  GLU  17          1HG       GLU  17   6.190   7.242  -6.071
  117    H    LYS  18           H        LYS  18   7.221   6.173  -4.746
  118    HA   LYS  18           HA       LYS  18   7.159   3.500  -5.686
  119    HB2  LYS  18          2HB       LYS  18   9.436   5.400  -5.192
  120    HB3  LYS  18          1HB       LYS  18   9.763   3.706  -5.483
  121    HG2  LYS  18          2HG       LYS  18  10.036   4.885  -7.527
  122    HG3  LYS  18          1HG       LYS  18   8.589   3.901  -7.659
  123    HD2  LYS  18          2HD       LYS  18   7.227   5.888  -7.242
  124    HD3  LYS  18          1HD       LYS  18   8.697   6.867  -7.126
  125    HE2  LYS  18          2HE       LYS  18   9.286   6.176  -9.429
  126    HE3  LYS  18          1HE       LYS  18   7.761   5.301  -9.534
  127    HZ1  LYS  18          1HZ       LYS  18   7.489   7.397 -10.575
  128    HZ2  LYS  18          2HZ       LYS  18   8.181   8.210  -9.297
  129    HZ3  LYS  18          3HZ       LYS  18   6.655   7.505  -9.100
  130    H    ALA  19           H        ALA  19   8.268   4.916  -2.693
  131    HA   ALA  19           HA       ALA  19   9.325   2.624  -1.481
  132    HB1  ALA  19          1HB       ALA  19   8.963   3.772   0.646
  133    HB2  ALA  19          2HB       ALA  19   7.881   4.918  -0.129
  134    HB3  ALA  19          3HB       ALA  19   9.596   4.898  -0.553
  135    H    CYS  20           H        CYS  20   6.072   3.921  -1.564
  136    HA   CYS  20           HA       CYS  20   4.785   2.166   0.133
  137    HB2  CYS  20          2HB       CYS  20   3.829   4.265  -0.670
  138    HB3  CYS  20          1HB       CYS  20   3.752   3.625  -2.302
  139    H    LYS  21           H        LYS  21   4.998   1.973  -3.461
  140    HA   LYS  21           HA       LYS  21   3.661  -0.516  -3.468
  141    HB2  LYS  21          2HB       LYS  21   3.751   1.046  -5.458
  142    HB3  LYS  21          1HB       LYS  21   5.413   0.550  -5.681
  143    HG2  LYS  21          2HG       LYS  21   4.842  -1.671  -6.194
  144    HG3  LYS  21          1HG       LYS  21   3.186  -1.462  -5.635
  145    HD2  LYS  21          2HD       LYS  21   3.297  -1.537  -8.065
  146    HD3  LYS  21          1HD       LYS  21   2.752   0.041  -7.518
  147    HE2  LYS  21          2HE       LYS  21   4.954   0.963  -7.895
  148    HE3  LYS  21          1HE       LYS  21   5.575  -0.625  -8.340
  149    HZ1  LYS  21          1HZ       LYS  21   5.054   0.722 -10.290
  150    HZ2  LYS  21          2HZ       LYS  21   3.444   0.841  -9.804
  151    HZ3  LYS  21          3HZ       LYS  21   4.073  -0.647 -10.215
  152    H    SER  22           H        SER  22   6.934   0.317  -2.974
  153    HA   SER  22           HA       SER  22   8.093  -2.211  -3.508
  154    HB2  SER  22          2HB       SER  22   9.431  -0.127  -3.325
  155    HB3  SER  22          1HB       SER  22   8.999  -0.006  -1.626
  156    HG   SER  22           HG       SER  22  10.156  -2.008  -1.281
  157    H    VAL  23           H        VAL  23   7.231  -0.565  -0.457
  158    HA   VAL  23           HA       VAL  23   7.778  -2.735   1.193
  159    HB   VAL  23           HB       VAL  23   7.709  -0.399   1.985
  160   HG11  VAL  23          1HG1      VAL  23   5.601   0.696   2.552
  161   HG12  VAL  23          2HG1      VAL  23   4.732  -0.607   1.738
  162   HG13  VAL  23          3HG1      VAL  23   5.809   0.442   0.818
  163   HG21  VAL  23          1HG2      VAL  23   7.597  -2.144   3.637
  164   HG22  VAL  23          2HG2      VAL  23   5.843  -2.217   3.479
  165   HG23  VAL  23          3HG2      VAL  23   6.610  -0.772   4.143
  166    H    CYS  24           H        CYS  24   4.787  -1.797  -0.399
  167    HA   CYS  24           HA       CYS  24   3.081  -3.562   0.874
  168    HB2  CYS  24          2HB       CYS  24   3.027  -2.304  -1.822
  169    HB3  CYS  24          1HB       CYS  24   1.837  -3.538  -1.407
  170    H    LYS  25           H        LYS  25   5.144  -4.193  -1.926
  171    HA   LYS  25           HA       LYS  25   4.062  -6.859  -2.075
  172    HB2  LYS  25          2HB       LYS  25   6.223  -5.500  -3.661
  173    HB3  LYS  25          1HB       LYS  25   5.711  -7.163  -3.935
  174    HG2  LYS  25          2HG       LYS  25   3.422  -6.355  -4.389
  175    HG3  LYS  25          1HG       LYS  25   3.984  -4.702  -4.172
  176    HD2  LYS  25          2HD       LYS  25   5.033  -6.618  -6.255
  177    HD3  LYS  25          1HD       LYS  25   3.797  -5.395  -6.547
  178    HE2  LYS  25          2HE       LYS  25   5.393  -3.647  -5.923
  179    HE3  LYS  25          1HE       LYS  25   6.622  -4.873  -5.633
  180    HZ1  LYS  25          1HZ       LYS  25   6.819  -3.814  -7.816
  181    HZ2  LYS  25          2HZ       LYS  25   5.321  -4.409  -8.272
  182    HZ3  LYS  25          3HZ       LYS  25   6.587  -5.465  -7.939
  183    H    GLU  26           H        GLU  26   6.417  -5.387  -0.301
  184    HA   GLU  26           HA       GLU  26   8.063  -7.741   0.036
  185    HB2  GLU  26          2HB       GLU  26   8.044  -5.082   1.475
  186    HB3  GLU  26          1HB       GLU  26   9.198  -6.370   1.789
  187    HG2  GLU  26          2HG       GLU  26  10.052  -6.208  -0.459
  188    HG3  GLU  26          1HG       GLU  26   8.833  -4.999  -0.859
  189    H    HIS  27           H        HIS  27   5.633  -5.933   1.829
  190    HA   HIS  27           HA       HIS  27   5.599  -7.807   4.018
  191    HB2  HIS  27          2HB       HIS  27   3.937  -5.395   3.334
  192    HB3  HIS  27          1HB       HIS  27   3.462  -6.445   4.648
  193    HD1  HIS  27          1HD       HIS  27   4.157  -5.441   6.823
  194    HD2  HIS  27          2HD       HIS  27   6.827  -4.597   3.768
  195    HE1  HIS  27          1HE       HIS  27   5.958  -4.030   7.870
  196    H    TYR  28           H        TYR  28   3.505  -7.086   1.237
  197    HA   TYR  28           HA       TYR  28   1.968  -9.489   1.900
  198    HB2  TYR  28          2HB       TYR  28   1.002  -7.054   0.366
  199    HB3  TYR  28          1HB       TYR  28   0.028  -8.426   0.881
  200    HD1  TYR  28          1HD       TYR  28  -0.743  -8.590   3.214
  201    HD2  TYR  28          2HD       TYR  28   1.717  -5.360   1.946
  202    HE1  TYR  28          1HE       TYR  28  -1.239  -7.384   5.302
  203    HE2  TYR  28          2HE       TYR  28   1.246  -4.159   4.001
  204    HH   TYR  28           HH       TYR  28  -0.344  -4.071   5.760
  205    H    HIS  29           H        HIS  29   2.618 -11.011   0.579
  206    HA   HIS  29           HA       HIS  29   4.015 -10.437  -1.862
  207    HB2  HIS  29          2HB       HIS  29   3.118 -13.119  -0.770
  208    HB3  HIS  29          1HB       HIS  29   4.252 -12.876  -2.092
  209    HD1  HIS  29          1HD       HIS  29   6.722 -12.235  -1.431
  210    HD2  HIS  29          2HD       HIS  29   4.105 -12.608   1.789
  211    HE1  HIS  29          1HE       HIS  29   8.150 -12.255   0.655
  212    H    HIS  30           H        HIS  30   0.804 -10.722  -1.118
  213    HA   HIS  30           HA       HIS  30  -0.027 -11.725  -3.739
  214    HB2  HIS  30          2HB       HIS  30  -1.755 -10.755  -1.448
  215    HB3  HIS  30          1HB       HIS  30  -2.301 -11.619  -2.873
  216    HD1  HIS  30          1HD       HIS  30  -1.866 -12.241   0.527
  217    HD2  HIS  30          2HD       HIS  30  -0.674 -14.262  -2.905
  218    HE1  HIS  30          1HE       HIS  30  -1.499 -14.621   1.223
  219    H    ALA  31           H        ALA  31   1.017  -8.852  -2.555
  220    HA   ALA  31           HA       ALA  31  -1.042  -7.130  -3.587
  221    HB1  ALA  31          1HB       ALA  31   1.694  -6.431  -2.528
  222    HB2  ALA  31          2HB       ALA  31   0.210  -6.483  -1.580
  223    HB3  ALA  31          3HB       ALA  31   0.389  -5.297  -2.873
  224    H    CYS  32           H        CYS  32  -1.002  -5.979  -5.358
  225    HA   CYS  32           HA       CYS  32   1.229  -6.408  -7.195
  226    HB2  CYS  32          2HB       CYS  32  -0.535  -5.956  -8.997
  227    HB3  CYS  32          1HB       CYS  32  -0.639  -7.496  -8.151
  228    H    LYS  33           H        LYS  33  -0.964  -4.092  -5.736
  229    HA   LYS  33           HA       LYS  33   0.804  -1.982  -6.734
  230    HB2  LYS  33          2HB       LYS  33  -2.186  -1.790  -6.420
  231    HB3  LYS  33          1HB       LYS  33  -1.147  -0.387  -6.527
  232    HG2  LYS  33          2HG       LYS  33  -0.402  -1.390  -8.772
  233    HG3  LYS  33          1HG       LYS  33  -1.854  -2.392  -8.629
  234    HD2  LYS  33          2HD       LYS  33  -1.780   0.634  -8.535
  235    HD3  LYS  33          1HD       LYS  33  -2.279  -0.334  -9.916
  236    HE2  LYS  33          2HE       LYS  33  -4.201  -1.141  -8.745
  237    HE3  LYS  33          1HE       LYS  33  -3.641  -0.450  -7.224
  238    HZ1  LYS  33          1HZ       LYS  33  -5.420   0.828  -8.401
  239    HZ2  LYS  33          2HZ       LYS  33  -4.284   1.243  -9.588
  240    HZ3  LYS  33          3HZ       LYS  33  -4.053   1.694  -7.971
  241    H    GLY  34           H        GLY  34   0.859  -0.111  -5.400
  242    HA2  GLY  34          2HA       GLY  34  -0.101  -0.351  -2.698
  243    HA3  GLY  34          1HA       GLY  34   1.653  -0.253  -2.919
  244    H    GLU  35           H        GLU  35  -1.099   1.541  -2.532
  245    HA   GLU  35           HA       GLU  35   0.233   3.856  -3.724
  246    HB2  GLU  35          2HB       GLU  35  -2.758   3.417  -3.773
  247    HB3  GLU  35          1HB       GLU  35  -1.886   4.781  -4.435
  248    HG2  GLU  35          2HG       GLU  35  -0.714   3.313  -5.989
  249    HG3  GLU  35          1HG       GLU  35  -1.640   1.941  -5.391
  250    H    CYS  36           H        CYS  36   0.028   5.741  -2.646
  251    HA   CYS  36           HA       CYS  36  -0.371   5.331   0.191
  252    HB2  CYS  36          2HB       CYS  36   1.695   6.369  -0.881
  253    HB3  CYS  36          1HB       CYS  36   0.690   7.769  -1.227
  254    H    GLU  37           H        GLU  37  -2.073   6.132   1.281
  255    HA   GLU  37           HA       GLU  37  -3.787   8.151   0.025
  256    HB2  GLU  37          2HB       GLU  37  -4.784   5.529   1.145
  257    HB3  GLU  37          1HB       GLU  37  -5.797   6.855   0.617
  258    HG2  GLU  37          2HG       GLU  37  -4.900   6.537  -1.676
  259    HG3  GLU  37          1HG       GLU  37  -4.035   5.116  -1.084
  260    H    TYR  38           H        TYR  38  -5.287   9.055   1.615
  261    HA   TYR  38           HA       TYR  38  -4.025   9.377   4.133
  262    HB2  TYR  38          2HB       TYR  38  -6.647  10.366   3.036
  263    HB3  TYR  38          1HB       TYR  38  -6.153  10.670   4.697
  264    HD1  TYR  38          1HD       TYR  38  -5.581  11.522   1.180
  265    HD2  TYR  38          2HD       TYR  38  -4.280  12.132   5.183
  266    HE1  TYR  38          1HE       TYR  38  -4.301  13.481   0.461
  267    HE2  TYR  38          2HE       TYR  38  -3.007  14.084   4.482
  268    HH   TYR  38           HH       TYR  38  -3.403  15.538   1.450
  269    H    HIS  39           H        HIS  39  -4.246   8.253   5.861
  270    HA   HIS  39           HA       HIS  39  -6.565   6.509   6.123
  271    HB2  HIS  39          2HB       HIS  39  -4.507   5.208   5.572
  272    HB3  HIS  39          1HB       HIS  39  -3.698   5.940   6.949
  273    HD1  HIS  39          1HD       HIS  39  -3.311   3.663   8.149
  274    HD2  HIS  39          2HD       HIS  39  -7.301   4.476   7.303
  275    HE1  HIS  39          1HE       HIS  39  -4.629   1.960   9.384
  276    H    GLY  40           H        GLY  40  -7.620   7.978   7.340
  277    HA2  GLY  40          2HA       GLY  40  -8.239   8.941   9.334
  278    HA3  GLY  40          1HA       GLY  40  -6.738   8.346  10.051
  279    H    ARG  41           H        ARG  41  -5.158   9.724  10.368
  280    HA   ARG  41           HA       ARG  41  -5.389  12.435   9.255
  281    HB2  ARG  41          2HB       ARG  41  -5.284  12.243  11.722
  282    HB3  ARG  41          1HB       ARG  41  -3.737  11.428  11.578
  283    HG2  ARG  41          2HG       ARG  41  -2.775  13.441  10.563
  284    HG3  ARG  41          1HG       ARG  41  -4.326  14.260  10.753
  285    HD2  ARG  41          2HD       ARG  41  -2.617  13.147  12.972
  286    HD3  ARG  41          1HD       ARG  41  -2.800  14.850  12.554
  287    HE   ARG  41           HE       ARG  41  -5.288  13.587  13.087
  288   HH11  ARG  41          1HH1      ARG  41  -2.520  15.129  14.651
  289   HH12  ARG  41          2HH1      ARG  41  -3.380  15.507  16.082
  290   HH21  ARG  41          1HH2      ARG  41  -6.455  14.123  15.036
  291   HH22  ARG  41          2HH2      ARG  41  -5.639  14.891  16.313
  292    H    GLU  42           H        GLU  42  -3.135   9.804   9.865
  293    HA   GLU  42           HA       GLU  42  -0.981  10.986   8.422
  294    HB2  GLU  42          2HB       GLU  42  -1.427   8.143   9.350
  295    HB3  GLU  42          1HB       GLU  42   0.071   8.756   8.668
  296    HG2  GLU  42          2HG       GLU  42   0.295  10.301  10.515
  297    HG3  GLU  42          1HG       GLU  42  -1.220   9.725  11.207
  298    H    VAL  43           H        VAL  43  -0.084  10.092   6.497
  299    HA   VAL  43           HA       VAL  43  -2.112   8.925   4.787
  300    HB   VAL  43           HB       VAL  43  -1.091  11.135   4.059
  301   HG11  VAL  43          1HG1      VAL  43   1.142  11.202   3.126
  302   HG12  VAL  43          2HG1      VAL  43   1.388   9.542   3.667
  303   HG13  VAL  43          3HG1      VAL  43   1.161  10.830   4.860
  304   HG21  VAL  43          1HG2      VAL  43  -2.099   9.696   2.399
  305   HG22  VAL  43          2HG2      VAL  43  -0.575   8.829   2.206
  306   HG23  VAL  43          3HG2      VAL  43  -0.693  10.520   1.726
  307    H    HIS  44           H        HIS  44  -1.844   6.872   4.213
  308    HA   HIS  44           HA       HIS  44   0.725   5.672   4.808
  309    HB2  HIS  44          2HB       HIS  44  -1.772   5.093   6.171
  310    HB3  HIS  44          1HB       HIS  44  -1.060   3.654   5.447
  311    HD1  HIS  44          1HD       HIS  44  -0.651   2.880   8.050
  312    HD2  HIS  44          2HD       HIS  44   1.562   6.150   6.687
  313    HE1  HIS  44          1HE       HIS  44   1.231   3.170   9.655
  314    H    CYS  45           H        CYS  45   0.983   3.583   3.967
  315    HA   CYS  45           HA       CYS  45   0.352   3.651   1.179
  316    HB2  CYS  45          2HB       CYS  45   2.598   3.250   2.041
  317    HB3  CYS  45          1HB       CYS  45   2.016   1.822   2.887
  318    H    HIS  46           H        HIS  46  -1.293   2.467   0.316
  319    HA   HIS  46           HA       HIS  46  -2.345   0.278   1.929
  320    HB2  HIS  46          2HB       HIS  46  -3.715   2.063  -0.068
  321    HB3  HIS  46          1HB       HIS  46  -4.426   0.567   0.514
  322    HD1  HIS  46          1HD       HIS  46  -5.594   3.466   0.969
  323    HD2  HIS  46          2HD       HIS  46  -3.436   1.242   3.738
  324    HE1  HIS  46          1HE       HIS  46  -6.270   4.337   3.267
  325    H    CYS  47           H        CYS  47  -2.203  -1.651   1.205
  326    HA   CYS  47           HA       CYS  47  -0.900  -2.073  -1.356
  327    HB2  CYS  47          2HB       CYS  47  -1.421  -3.996   0.898
  328    HB3  CYS  47          1HB       CYS  47  -0.283  -4.192  -0.437
  329    H    TYR  48           H        TYR  48  -2.072  -2.647  -3.021
  330    HA   TYR  48           HA       TYR  48  -4.711  -3.887  -2.603
  331    HB2  TYR  48          2HB       TYR  48  -3.581  -2.670  -5.126
  332    HB3  TYR  48          1HB       TYR  48  -5.217  -3.255  -4.892
  333    HD1  TYR  48          1HD       TYR  48  -6.711  -1.990  -3.235
  334    HD2  TYR  48          2HD       TYR  48  -2.997  -0.483  -4.657
  335    HE1  TYR  48          1HE       TYR  48  -7.397   0.280  -2.625
  336    HE2  TYR  48          2HE       TYR  48  -3.667   1.763  -4.053
  337    HH   TYR  48           HH       TYR  48  -6.086   2.587  -2.045
  338    H    GLY  49           H        GLY  49  -5.109  -5.871  -3.443
  339    HA2  GLY  49          2HA       GLY  49  -3.576  -7.030  -5.505
  340    HA3  GLY  49          1HA       GLY  49  -3.036  -7.632  -3.942
  341    H    ASP  50           H        ASP  50  -3.758  -9.655  -4.819
  342    HA   ASP  50           HA       ASP  50  -6.585 -10.096  -5.131
  343    HB2  ASP  50          2HB       ASP  50  -4.933 -11.399  -6.426
  344    HB3  ASP  50          1HB       ASP  50  -4.290 -12.048  -4.926
  345    H    TYR  51           H        TYR  51  -7.892 -10.271  -3.437
  346    HA   TYR  51           HA       TYR  51  -6.726 -10.585  -0.835
  347    HB2  TYR  51          2HB       TYR  51  -8.454  -8.799  -1.457
  348    HB3  TYR  51          1HB       TYR  51  -9.635 -10.101  -1.498
  349    HD1  TYR  51          1HD       TYR  51 -10.280 -11.242   0.602
  350    HD2  TYR  51          2HD       TYR  51  -7.573  -7.977   0.620
  351    HE1  TYR  51          1HE       TYR  51 -10.584 -11.023   3.009
  352    HE2  TYR  51          2HE       TYR  51  -7.855  -7.747   3.027
  353    HH   TYR  51           HH       TYR  51  -9.644  -8.346   4.732
  354    H    HIS  52           H        HIS  52  -7.145 -12.185   0.481
  355    HA   HIS  52           HA       HIS  52  -8.476 -14.552  -0.622
  356    HB2  HIS  52          2HB       HIS  52  -6.007 -14.762  -0.282
  357    HB3  HIS  52          1HB       HIS  52  -6.237 -14.400   1.421
  358    HD1  HIS  52          1HD       HIS  52  -6.268 -16.439   2.848
  359    HD2  HIS  52          2HD       HIS  52  -7.522 -17.230  -1.025
  360    HE1  HIS  52          1HE       HIS  52  -6.625 -18.943   2.726
  Start of MODEL   10
    1    H1   ALA   1           H        ALA   1  -0.320  -7.682 -13.755
    2    HA   ALA   1           HA       ALA   1  -2.179  -8.247 -12.360
    3    HB1  ALA   1          1HB       ALA   1  -0.142  -6.830 -10.662
    4    HB2  ALA   1          2HB       ALA   1  -0.061  -8.515 -11.178
    5    HB3  ALA   1          3HB       ALA   1  -1.333  -7.985 -10.074
    6    H    HIS   2           H        HIS   2  -4.105  -7.520 -11.699
    7    HA   HIS   2           HA       HIS   2  -4.362  -4.653 -11.108
    8    HB2  HIS   2          2HB       HIS   2  -6.362  -6.461 -12.496
    9    HB3  HIS   2          1HB       HIS   2  -6.695  -4.810 -11.995
   10    HD1  HIS   2          1HD       HIS   2  -5.968  -6.565 -14.953
   11    HD2  HIS   2          2HD       HIS   2  -4.515  -3.070 -13.254
   12    HE1  HIS   2          1HE       HIS   2  -4.973  -5.252 -16.839
   13    H    CYS   3           H        CYS   3  -5.055  -4.262  -9.092
   14    HA   CYS   3           HA       CYS   3  -6.608  -6.338  -7.741
   15    HB2  CYS   3          2HB       CYS   3  -4.333  -4.860  -6.428
   16    HB3  CYS   3          1HB       CYS   3  -5.271  -6.183  -5.760
   17    H    ASP   4           H        ASP   4  -8.284  -5.458  -6.677
   18    HA   ASP   4           HA       ASP   4  -8.224  -2.561  -6.095
   19    HB2  ASP   4          2HB       ASP   4 -10.625  -2.478  -6.359
   20    HB3  ASP   4          1HB       ASP   4  -9.958  -3.253  -7.787
   21    H    HIS   5           H        HIS   5  -8.344  -5.672  -4.828
   22    HA   HIS   5           HA       HIS   5  -9.926  -5.052  -2.497
   23    HB2  HIS   5          2HB       HIS   5  -9.915  -7.303  -3.655
   24    HB3  HIS   5          1HB       HIS   5  -8.278  -7.517  -3.065
   25    HD1  HIS   5          1HD       HIS   5  -8.030  -7.772  -0.391
   26    HD2  HIS   5          2HD       HIS   5 -11.903  -7.881  -1.889
   27    HE1  HIS   5          1HE       HIS   5  -9.453  -8.755   1.429
   28    H    PHE   6           H        PHE   6  -9.150  -4.413  -0.632
   29    HA   PHE   6           HA       PHE   6  -6.367  -3.743  -0.336
   30    HB2  PHE   6          2HB       PHE   6  -8.716  -3.445   1.549
   31    HB3  PHE   6          1HB       PHE   6  -7.092  -2.879   1.887
   32    HD1  PHE   6          1HD       PHE   6  -9.920  -2.445  -0.503
   33    HD2  PHE   6          2HD       PHE   6  -6.449  -0.733   1.270
   34    HE1  PHE   6          1HE       PHE   6 -10.486  -0.285  -1.496
   35    HE2  PHE   6          2HE       PHE   6  -7.011   1.430   0.265
   36    HZ   PHE   6           HZ       PHE   6  -9.030   1.663  -1.118
   37    H    LEU   7           H        LEU   7  -4.917  -4.891   0.693
   38    HA   LEU   7           HA       LEU   7  -5.696  -7.375   2.036
   39    HB2  LEU   7          2HB       LEU   7  -2.999  -6.274   1.308
   40    HB3  LEU   7          1HB       LEU   7  -3.263  -7.819   2.072
   41    HG   LEU   7           HG       LEU   7  -4.088  -7.022  -0.708
   42   HD11  LEU   7          1HD1      LEU   7  -2.034  -8.893   0.408
   43   HD12  LEU   7          2HD1      LEU   7  -1.751  -7.400  -0.491
   44   HD13  LEU   7          3HD1      LEU   7  -2.473  -8.800  -1.289
   45   HD21  LEU   7          1HD2      LEU   7  -4.462  -9.630   0.761
   46   HD22  LEU   7          2HD2      LEU   7  -4.751  -9.358  -0.956
   47   HD23  LEU   7          3HD2      LEU   7  -5.745  -8.529   0.243
   48    H    GLY   8           H        GLY   8  -3.906  -4.399   2.603
   49    HA2  GLY   8          2HA       GLY   8  -4.598  -4.128   5.246
   50    HA3  GLY   8          1HA       GLY   8  -3.053  -4.980   5.180
   51    H    GLU   9           H        GLU   9  -2.562  -2.815   6.289
   52    HA   GLU   9           HA       GLU   9  -1.772  -0.933   4.192
   53    HB2  GLU   9          2HB       GLU   9  -2.099   0.864   5.842
   54    HB3  GLU   9          1HB       GLU   9  -3.584  -0.007   5.483
   55    HG2  GLU   9          2HG       GLU   9  -3.271  -1.318   7.550
   56    HG3  GLU   9          1HG       GLU   9  -1.872  -0.316   7.926
   57    H    ALA  10           H        ALA  10   0.074   0.384   4.802
   58    HA   ALA  10           HA       ALA  10   1.841  -0.787   6.804
   59    HB1  ALA  10          1HB       ALA  10   3.730  -0.638   5.246
   60    HB2  ALA  10          2HB       ALA  10   2.637  -0.115   3.963
   61    HB3  ALA  10          3HB       ALA  10   2.491  -1.736   4.644
   62    HA   PRO  11           HA       PRO  11   2.349   3.569   7.660
   63    HB2  PRO  11          2HB       PRO  11   4.154   3.392   9.634
   64    HB3  PRO  11          1HB       PRO  11   2.502   2.801   9.844
   65    HG2  PRO  11          2HG       PRO  11   5.013   1.254   9.319
   66    HG3  PRO  11          1HG       PRO  11   3.645   0.825  10.353
   67    HD2  PRO  11          2HD       PRO  11   4.090  -0.112   7.782
   68    HD3  PRO  11          1HD       PRO  11   2.539  -0.140   8.641
   69    H    VAL  12           H        VAL  12   3.361   4.751   6.028
   70    HA   VAL  12           HA       VAL  12   6.244   4.871   6.085
   71    HB   VAL  12           HB       VAL  12   6.241   5.058   3.580
   72   HG11  VAL  12          1HG1      VAL  12   7.119   3.053   4.653
   73   HG12  VAL  12          2HG1      VAL  12   6.272   2.615   3.167
   74   HG13  VAL  12          3HG1      VAL  12   5.498   2.362   4.731
   75   HG21  VAL  12          1HG2      VAL  12   3.547   3.763   3.841
   76   HG22  VAL  12          2HG2      VAL  12   4.454   3.899   2.332
   77   HG23  VAL  12          3HG2      VAL  12   3.892   5.353   3.161
   78    H    TYR  13           H        TYR  13   6.843   6.969   6.224
   79    HA   TYR  13           HA       TYR  13   5.473   8.950   4.684
   80    HB2  TYR  13          2HB       TYR  13   4.061   8.851   6.740
   81    HB3  TYR  13          1HB       TYR  13   5.481   9.229   7.705
   82    HD1  TYR  13          1HD       TYR  13   3.374  10.568   4.947
   83    HD2  TYR  13          2HD       TYR  13   6.011  11.470   8.144
   84    HE1  TYR  13          1HE       TYR  13   2.899  12.955   4.657
   85    HE2  TYR  13          2HE       TYR  13   5.545  13.869   7.859
   86    HH   TYR  13           HH       TYR  13   4.714  15.417   6.095
   87    HA   PRO  14           HA       PRO  14   5.748  10.913   3.909
   88    HB2  PRO  14          2HB       PRO  14   7.314  11.698   1.816
   89    HB3  PRO  14          1HB       PRO  14   7.025  12.714   3.234
   90    HG2  PRO  14          2HG       PRO  14   9.353  10.937   2.626
   91    HG3  PRO  14          1HG       PRO  14   9.358  12.597   3.259
   92    HD2  PRO  14          2HD       PRO  14   9.712  10.477   4.852
   93    HD3  PRO  14          1HD       PRO  14   8.803  11.899   5.399
   94    H    CYS  15           H        CYS  15   4.801   9.986   2.073
   95    HA   CYS  15           HA       CYS  15   5.800   7.309   1.554
   96    HB2  CYS  15          2HB       CYS  15   3.476   7.496   2.210
   97    HB3  CYS  15          1HB       CYS  15   3.175   8.624   0.896
   98    H    LYS  16           H        LYS  16   6.649   6.672  -0.193
   99    HA   LYS  16           HA       LYS  16   6.395   8.328  -2.602
  100    HB2  LYS  16          2HB       LYS  16   8.527   6.261  -1.917
  101    HB3  LYS  16          1HB       LYS  16   8.351   7.008  -3.484
  102    HG2  LYS  16          2HG       LYS  16  10.165   8.049  -2.326
  103    HG3  LYS  16          1HG       LYS  16   8.846   9.211  -2.446
  104    HD2  LYS  16          2HD       LYS  16   9.686   9.395  -0.238
  105    HD3  LYS  16          1HD       LYS  16   8.158   8.484  -0.227
  106    HE2  LYS  16          2HE       LYS  16   9.346   6.372  -0.038
  107    HE3  LYS  16          1HE       LYS  16  10.893   7.196  -0.158
  108    HZ1  LYS  16          1HZ       LYS  16  10.534   8.211   1.967
  109    HZ2  LYS  16          2HZ       LYS  16  10.253   6.559   2.127
  110    HZ3  LYS  16          3HZ       LYS  16   8.956   7.625   2.048
  111    H    GLU  17           H        GLU  17   5.339   7.444  -4.177
  112    HA   GLU  17           HA       GLU  17   3.811   5.208  -3.603
  113    HB2  GLU  17          2HB       GLU  17   3.094   5.233  -6.059
  114    HB3  GLU  17          1HB       GLU  17   2.694   6.585  -5.022
  115    HG2  GLU  17          2HG       GLU  17   3.303   7.438  -7.091
  116    HG3  GLU  17          1HG       GLU  17   4.641   7.790  -6.006
  117    H    LYS  18           H        LYS  18   6.627   5.249  -5.706
  118    HA   LYS  18           HA       LYS  18   6.637   2.510  -6.299
  119    HB2  LYS  18          2HB       LYS  18   9.037   4.294  -5.828
  120    HB3  LYS  18          1HB       LYS  18   9.099   2.708  -6.570
  121    HG2  LYS  18          2HG       LYS  18   7.723   5.149  -7.674
  122    HG3  LYS  18          1HG       LYS  18   9.235   4.445  -8.241
  123    HD2  LYS  18          2HD       LYS  18   8.004   2.380  -8.839
  124    HD3  LYS  18          1HD       LYS  18   6.507   3.156  -8.328
  125    HE2  LYS  18          2HE       LYS  18   8.322   4.109 -10.536
  126    HE3  LYS  18          1HE       LYS  18   6.797   3.262 -10.765
  127    HZ1  LYS  18          1HZ       LYS  18   6.425   5.591 -11.044
  128    HZ2  LYS  18          2HZ       LYS  18   7.201   5.956  -9.597
  129    HZ3  LYS  18          3HZ       LYS  18   5.725   5.195  -9.554
  130    H    ALA  19           H        ALA  19   7.895   4.224  -3.509
  131    HA   ALA  19           HA       ALA  19   9.085   2.030  -2.203
  132    HB1  ALA  19          1HB       ALA  19   7.914   4.512  -0.934
  133    HB2  ALA  19          2HB       ALA  19   9.556   4.370  -1.565
  134    HB3  ALA  19          3HB       ALA  19   9.051   3.397  -0.186
  135    H    CYS  20           H        CYS  20   5.893   3.506  -1.856
  136    HA   CYS  20           HA       CYS  20   4.816   1.862   0.111
  137    HB2  CYS  20          2HB       CYS  20   3.734   3.915  -0.665
  138    HB3  CYS  20          1HB       CYS  20   3.496   3.221  -2.254
  139    H    LYS  21           H        LYS  21   4.806   1.461  -3.413
  140    HA   LYS  21           HA       LYS  21   3.417  -0.963  -3.484
  141    HB2  LYS  21          2HB       LYS  21   3.733   0.484  -5.404
  142    HB3  LYS  21          1HB       LYS  21   5.458   0.170  -5.393
  143    HG2  LYS  21          2HG       LYS  21   5.092  -2.134  -5.987
  144    HG3  LYS  21          1HG       LYS  21   3.346  -1.926  -5.857
  145    HD2  LYS  21          2HD       LYS  21   5.124  -0.464  -7.815
  146    HD3  LYS  21          1HD       LYS  21   4.140  -1.874  -8.204
  147    HE2  LYS  21          2HE       LYS  21   2.126  -0.597  -7.503
  148    HE3  LYS  21          1HE       LYS  21   3.145   0.817  -7.252
  149    HZ1  LYS  21          1HZ       LYS  21   2.031   0.869  -9.365
  150    HZ2  LYS  21          2HZ       LYS  21   2.755  -0.579  -9.834
  151    HZ3  LYS  21          3HZ       LYS  21   3.693   0.793  -9.592
  152    H    SER  22           H        SER  22   6.884  -0.281  -3.196
  153    HA   SER  22           HA       SER  22   7.754  -2.967  -3.303
  154    HB2  SER  22          2HB       SER  22   9.261  -1.034  -3.662
  155    HB3  SER  22          1HB       SER  22   9.048  -0.567  -1.980
  156    HG   SER  22           HG       SER  22  10.020  -2.681  -1.426
  157    H    VAL  23           H        VAL  23   7.018  -0.772  -0.607
  158    HA   VAL  23           HA       VAL  23   7.573  -2.530   1.484
  159    HB   VAL  23           HB       VAL  23   5.616  -0.199   1.372
  160   HG11  VAL  23          1HG1      VAL  23   5.009  -1.709   3.212
  161   HG12  VAL  23          2HG1      VAL  23   5.687  -0.197   3.818
  162   HG13  VAL  23          3HG1      VAL  23   6.671  -1.659   3.794
  163   HG21  VAL  23          1HG2      VAL  23   7.924   0.420   0.996
  164   HG22  VAL  23          2HG2      VAL  23   8.413  -0.440   2.455
  165   HG23  VAL  23          3HG2      VAL  23   7.392   0.990   2.577
  166    H    CYS  24           H        CYS  24   4.558  -1.961  -0.286
  167    HA   CYS  24           HA       CYS  24   3.044  -3.862   1.042
  168    HB2  CYS  24          2HB       CYS  24   2.888  -2.835  -1.780
  169    HB3  CYS  24          1HB       CYS  24   1.728  -3.993  -1.129
  170    H    LYS  25           H        LYS  25   5.161  -4.279  -1.789
  171    HA   LYS  25           HA       LYS  25   4.622  -7.018  -2.184
  172    HB2  LYS  25          2HB       LYS  25   6.955  -5.276  -2.930
  173    HB3  LYS  25          1HB       LYS  25   6.949  -6.992  -3.282
  174    HG2  LYS  25          2HG       LYS  25   4.879  -5.034  -4.271
  175    HG3  LYS  25          1HG       LYS  25   6.282  -5.580  -5.196
  176    HD2  LYS  25          2HD       LYS  25   5.480  -7.912  -4.941
  177    HD3  LYS  25          1HD       LYS  25   4.023  -7.296  -4.160
  178    HE2  LYS  25          2HE       LYS  25   3.494  -6.039  -6.206
  179    HE3  LYS  25          1HE       LYS  25   4.934  -6.710  -6.974
  180    HZ1  LYS  25          1HZ       LYS  25   2.980  -7.988  -7.594
  181    HZ2  LYS  25          2HZ       LYS  25   2.600  -8.255  -5.978
  182    HZ3  LYS  25          3HZ       LYS  25   3.986  -8.942  -6.627
  183    H    GLU  26           H        GLU  26   6.570  -5.429   0.137
  184    HA   GLU  26           HA       GLU  26   8.008  -7.860   0.804
  185    HB2  GLU  26          2HB       GLU  26   8.266  -5.047   1.861
  186    HB3  GLU  26          1HB       GLU  26   9.294  -6.396   2.339
  187    HG2  GLU  26          2HG       GLU  26  10.106  -6.645   0.079
  188    HG3  GLU  26          1HG       GLU  26   8.998  -5.403  -0.487
  189    H    HIS  27           H        HIS  27   5.498  -5.809   2.162
  190    HA   HIS  27           HA       HIS  27   5.414  -7.368   4.607
  191    HB2  HIS  27          2HB       HIS  27   3.735  -5.076   3.598
  192    HB3  HIS  27          1HB       HIS  27   3.234  -6.014   4.989
  193    HD1  HIS  27          1HD       HIS  27   3.814  -4.834   7.113
  194    HD2  HIS  27          2HD       HIS  27   6.531  -4.049   4.077
  195    HE1  HIS  27          1HE       HIS  27   5.441  -3.160   8.074
  196    H    TYR  28           H        TYR  28   3.300  -6.911   1.780
  197    HA   TYR  28           HA       TYR  28   1.821  -9.326   2.567
  198    HB2  TYR  28          2HB       TYR  28   0.758  -6.932   1.019
  199    HB3  TYR  28          1HB       TYR  28  -0.170  -8.323   1.563
  200    HD1  TYR  28          1HD       TYR  28   1.417  -5.183   2.555
  201    HD2  TYR  28          2HD       TYR  28  -0.858  -8.507   3.913
  202    HE1  TYR  28          1HE       TYR  28   0.963  -3.994   4.610
  203    HE2  TYR  28          2HE       TYR  28  -1.348  -7.320   6.000
  204    HH   TYR  28           HH       TYR  28  -0.494  -3.964   6.483
  205    H    HIS  29           H        HIS  29   2.671 -10.818   1.240
  206    HA   HIS  29           HA       HIS  29   3.888 -10.039  -1.230
  207    HB2  HIS  29          2HB       HIS  29   3.509 -12.816  -0.112
  208    HB3  HIS  29          1HB       HIS  29   4.558 -12.378  -1.458
  209    HD1  HIS  29          1HD       HIS  29   6.590 -10.607  -0.716
  210    HD2  HIS  29          2HD       HIS  29   4.662 -12.713   2.288
  211    HE1  HIS  29          1HE       HIS  29   8.066 -10.432   1.287
  212    H    HIS  30           H        HIS  30   0.790 -10.636  -0.492
  213    HA   HIS  30           HA       HIS  30   0.059 -11.823  -3.058
  214    HB2  HIS  30          2HB       HIS  30  -1.694 -10.920  -0.745
  215    HB3  HIS  30          1HB       HIS  30  -2.270 -11.733  -2.189
  216    HD1  HIS  30          1HD       HIS  30  -2.119 -14.299  -2.200
  217    HD2  HIS  30          2HD       HIS  30  -0.246 -12.538   1.064
  218    HE1  HIS  30          1HE       HIS  30  -1.616 -16.177  -0.596
  219    H    ALA  31           H        ALA  31   0.858  -8.838  -1.918
  220    HA   ALA  31           HA       ALA  31  -1.225  -7.246  -3.135
  221    HB1  ALA  31          1HB       ALA  31   1.411  -6.365  -1.961
  222    HB2  ALA  31          2HB       ALA  31  -0.091  -6.480  -1.060
  223    HB3  ALA  31          3HB       ALA  31   0.057  -5.323  -2.381
  224    H    CYS  32           H        CYS  32  -1.070  -6.054  -4.963
  225    HA   CYS  32           HA       CYS  32   1.334  -6.558  -6.581
  226    HB2  CYS  32          2HB       CYS  32  -0.002  -6.582  -8.559
  227    HB3  CYS  32          1HB       CYS  32  -0.786  -7.654  -7.406
  228    H    LYS  33           H        LYS  33  -0.770  -4.231  -5.154
  229    HA   LYS  33           HA       LYS  33   0.760  -2.068  -6.357
  230    HB2  LYS  33          2HB       LYS  33  -2.251  -2.204  -6.204
  231    HB3  LYS  33          1HB       LYS  33  -1.367  -0.710  -6.428
  232    HG2  LYS  33          2HG       LYS  33  -0.457  -1.631  -8.537
  233    HG3  LYS  33          1HG       LYS  33  -1.474  -3.059  -8.302
  234    HD2  LYS  33          2HD       LYS  33  -3.468  -1.703  -8.349
  235    HD3  LYS  33          1HD       LYS  33  -2.499  -0.230  -8.430
  236    HE2  LYS  33          2HE       LYS  33  -1.607  -0.977 -10.590
  237    HE3  LYS  33          1HE       LYS  33  -2.657  -2.393 -10.521
  238    HZ1  LYS  33          1HZ       LYS  33  -3.612   0.431 -10.541
  239    HZ2  LYS  33          2HZ       LYS  33  -4.576  -0.942 -10.581
  240    HZ3  LYS  33          3HZ       LYS  33  -3.572  -0.594 -11.870
  241    H    GLY  34           H        GLY  34   0.464  -0.054  -5.114
  242    HA2  GLY  34          2HA       GLY  34  -0.578  -0.309  -2.452
  243    HA3  GLY  34          1HA       GLY  34   1.168  -0.075  -2.584
  244    H    GLU  35           H        GLU  35  -1.322   1.634  -1.829
  245    HA   GLU  35           HA       GLU  35  -0.249   4.030  -3.098
  246    HB2  GLU  35          2HB       GLU  35  -2.225   3.224  -4.436
  247    HB3  GLU  35          1HB       GLU  35  -3.214   3.463  -3.000
  248    HG2  GLU  35          2HG       GLU  35  -3.480   5.338  -4.455
  249    HG3  GLU  35          1HG       GLU  35  -2.577   5.852  -3.027
  250    H    CYS  36           H        CYS  36  -0.089   5.615  -1.635
  251    HA   CYS  36           HA       CYS  36  -1.099   5.103   1.001
  252    HB2  CYS  36          2HB       CYS  36   0.682   7.295  -0.077
  253    HB3  CYS  36          1HB       CYS  36   0.199   7.150   1.606
  254    H    GLU  37           H        GLU  37  -2.973   5.684   1.565
  255    HA   GLU  37           HA       GLU  37  -4.229   7.986   0.247
  256    HB2  GLU  37          2HB       GLU  37  -5.546   5.551   1.457
  257    HB3  GLU  37          1HB       GLU  37  -6.383   6.902   0.707
  258    HG2  GLU  37          2HG       GLU  37  -5.316   6.371  -1.431
  259    HG3  GLU  37          1HG       GLU  37  -4.487   5.019  -0.670
  260    H    TYR  38           H        TYR  38  -5.636   9.264   1.626
  261    HA   TYR  38           HA       TYR  38  -4.341   9.582   4.166
  262    HB2  TYR  38          2HB       TYR  38  -6.356  11.303   2.732
  263    HB3  TYR  38          1HB       TYR  38  -5.683  11.678   4.306
  264    HD1  TYR  38          1HD       TYR  38  -3.416  12.384   4.550
  265    HD2  TYR  38          2HD       TYR  38  -4.969  11.480   0.707
  266    HE1  TYR  38          1HE       TYR  38  -1.492  13.489   3.531
  267    HE2  TYR  38          2HE       TYR  38  -3.049  12.580  -0.340
  268    HH   TYR  38           HH       TYR  38  -0.270  13.480   1.439
  269    H    HIS  39           H        HIS  39  -5.013   8.148   5.543
  270    HA   HIS  39           HA       HIS  39  -7.628   8.568   6.655
  271    HB2  HIS  39          2HB       HIS  39  -7.955   6.615   5.104
  272    HB3  HIS  39          1HB       HIS  39  -6.677   5.760   5.966
  273    HD1  HIS  39          1HD       HIS  39  -7.445   4.353   7.938
  274    HD2  HIS  39          2HD       HIS  39 -10.221   7.241   6.818
  275    HE1  HIS  39          1HE       HIS  39  -9.462   3.996   9.419
  276    H    GLY  40           H        GLY  40  -6.886   9.328   8.511
  277    HA2  GLY  40          2HA       GLY  40  -6.190   8.440  10.719
  278    HA3  GLY  40          1HA       GLY  40  -4.813   7.758   9.855
  279    H    ARG  41           H        ARG  41  -3.362   8.920  11.099
  280    HA   ARG  41           HA       ARG  41  -3.582  11.809  11.004
  281    HB2  ARG  41          2HB       ARG  41  -2.931  10.664  13.112
  282    HB3  ARG  41          1HB       ARG  41  -1.464  10.108  12.327
  283    HG2  ARG  41          2HG       ARG  41  -1.149  12.091  13.791
  284    HG3  ARG  41          1HG       ARG  41  -0.641  12.346  12.119
  285    HD2  ARG  41          2HD       ARG  41  -1.941  14.249  13.110
  286    HD3  ARG  41          1HD       ARG  41  -2.629  13.589  11.628
  287    HE   ARG  41           HE       ARG  41  -3.602  12.787  14.281
  288   HH11  ARG  41          1HH1      ARG  41  -4.296  14.172  11.060
  289   HH12  ARG  41          2HH1      ARG  41  -5.971  14.066  11.233
  290   HH21  ARG  41          1HH2      ARG  41  -5.911  12.628  14.475
  291   HH22  ARG  41          2HH2      ARG  41  -6.924  13.161  13.219
  292    H    GLU  42           H        GLU  42  -1.434   9.254   9.950
  293    HA   GLU  42           HA       GLU  42  -0.150  11.179   8.158
  294    HB2  GLU  42          2HB       GLU  42   0.877   8.501   9.139
  295    HB3  GLU  42          1HB       GLU  42   1.744   9.617   8.091
  296    HG2  GLU  42          2HG       GLU  42   1.796  11.272   9.884
  297    HG3  GLU  42          1HG       GLU  42   0.913  10.169  10.932
  298    H    VAL  43           H        VAL  43   0.279  10.304   6.008
  299    HA   VAL  43           HA       VAL  43  -2.005   8.960   5.021
  300    HB   VAL  43           HB       VAL  43  -0.622  10.708   3.818
  301   HG11  VAL  43          1HG1      VAL  43   1.274   8.464   3.280
  302   HG12  VAL  43          2HG1      VAL  43   1.587   9.932   4.204
  303   HG13  VAL  43          3HG1      VAL  43   1.284  10.029   2.465
  304   HG21  VAL  43          1HG2      VAL  43  -1.283   8.175   2.374
  305   HG22  VAL  43          2HG2      VAL  43  -0.852   9.681   1.569
  306   HG23  VAL  43          3HG2      VAL  43  -2.292   9.605   2.585
  307    H    HIS  44           H        HIS  44  -2.299   6.775   4.705
  308    HA   HIS  44           HA       HIS  44   0.022   5.144   5.384
  309    HB2  HIS  44          2HB       HIS  44  -2.871   4.740   6.053
  310    HB3  HIS  44          1HB       HIS  44  -1.819   3.338   5.907
  311    HD1  HIS  44          1HD       HIS  44  -2.172   2.905   8.529
  312    HD2  HIS  44          2HD       HIS  44  -0.277   6.487   7.563
  313    HE1  HIS  44          1HE       HIS  44  -1.067   3.705  10.643
  314    H    CYS  45           H        CYS  45   0.567   3.375   4.312
  315    HA   CYS  45           HA       CYS  45  -0.017   3.420   1.501
  316    HB2  CYS  45          2HB       CYS  45   2.254   3.141   2.344
  317    HB3  CYS  45          1HB       CYS  45   1.778   1.712   3.242
  318    H    HIS  46           H        HIS  46  -1.895   2.466   0.877
  319    HA   HIS  46           HA       HIS  46  -2.799   0.147   2.341
  320    HB2  HIS  46          2HB       HIS  46  -4.137   1.843   0.221
  321    HB3  HIS  46          1HB       HIS  46  -4.868   0.433   0.975
  322    HD1  HIS  46          1HD       HIS  46  -5.985   3.396   1.144
  323    HD2  HIS  46          2HD       HIS  46  -3.809   1.421   4.069
  324    HE1  HIS  46          1HE       HIS  46  -6.582   4.525   3.351
  325    H    CYS  47           H        CYS  47  -2.478  -1.771   1.620
  326    HA   CYS  47           HA       CYS  47  -1.175  -2.089  -0.950
  327    HB2  CYS  47          2HB       CYS  47  -1.503  -3.995   1.361
  328    HB3  CYS  47          1HB       CYS  47  -0.528  -4.277  -0.082
  329    H    TYR  48           H        TYR  48  -2.217  -2.806  -2.612
  330    HA   TYR  48           HA       TYR  48  -4.856  -4.067  -2.275
  331    HB2  TYR  48          2HB       TYR  48  -3.616  -3.012  -4.825
  332    HB3  TYR  48          1HB       TYR  48  -5.301  -3.419  -4.546
  333    HD1  TYR  48          1HD       TYR  48  -2.771  -0.879  -4.350
  334    HD2  TYR  48          2HD       TYR  48  -6.683  -1.917  -3.050
  335    HE1  TYR  48          1HE       TYR  48  -3.183   1.446  -3.777
  336    HE2  TYR  48          2HE       TYR  48  -7.110   0.419  -2.471
  337    HH   TYR  48           HH       TYR  48  -5.705   2.511  -1.858
  338    H    GLY  49           H        GLY  49  -5.066  -6.189  -2.876
  339    HA2  GLY  49          2HA       GLY  49  -3.033  -7.349  -4.585
  340    HA3  GLY  49          1HA       GLY  49  -3.055  -7.926  -2.927
  341    H    ASP  50           H        ASP  50  -3.327  -9.809  -4.489
  342    HA   ASP  50           HA       ASP  50  -6.121 -10.255  -5.194
  343    HB2  ASP  50          2HB       ASP  50  -4.381 -10.923  -6.821
  344    HB3  ASP  50          1HB       ASP  50  -3.671 -11.990  -5.619
  345    H    TYR  51           H        TYR  51  -7.342 -10.848  -3.563
  346    HA   TYR  51           HA       TYR  51  -6.216 -12.657  -1.543
  347    HB2  TYR  51          2HB       TYR  51  -6.560 -10.376  -0.692
  348    HB3  TYR  51          1HB       TYR  51  -8.242 -10.444  -1.187
  349    HD1  TYR  51          1HD       TYR  51  -9.872 -11.636   0.139
  350    HD2  TYR  51          2HD       TYR  51  -5.763 -11.674   1.231
  351    HE1  TYR  51          1HE       TYR  51 -10.474 -12.539   2.322
  352    HE2  TYR  51          2HE       TYR  51  -6.354 -12.582   3.424
  353    HH   TYR  51           HH       TYR  51  -9.394 -13.871   4.066
  354    H    HIS  52           H        HIS  52  -7.372 -14.429  -1.095
  355    HA   HIS  52           HA       HIS  52 -10.163 -14.588  -1.840
  356    HB2  HIS  52          2HB       HIS  52  -8.061 -16.609  -2.686
  357    HB3  HIS  52          1HB       HIS  52  -9.784 -16.945  -2.686
  358    HD1  HIS  52          1HD       HIS  52  -7.205 -16.010  -4.948
  359    HD2  HIS  52          2HD       HIS  52 -11.164 -14.875  -4.412
  360    HE1  HIS  52          1HE       HIS  52  -7.934 -14.994  -7.130
  Start of MODEL   11
    1    H1   ALA   1           H        ALA   1  -1.352  -7.389 -13.820
    2    HA   ALA   1           HA       ALA   1  -3.771  -6.785 -13.679
    3    HB1  ALA   1          1HB       ALA   1  -4.342  -8.072 -11.664
    4    HB2  ALA   1          2HB       ALA   1  -2.661  -7.998 -11.143
    5    HB3  ALA   1          3HB       ALA   1  -3.091  -8.876 -12.611
    6    H    HIS   2           H        HIS   2  -5.366  -5.533 -12.596
    7    HA   HIS   2           HA       HIS   2  -4.253  -3.373 -11.023
    8    HB2  HIS   2          2HB       HIS   2  -5.953  -2.851 -12.790
    9    HB3  HIS   2          1HB       HIS   2  -7.137  -3.794 -11.888
   10    HD1  HIS   2          1HD       HIS   2  -8.196  -2.651  -9.741
   11    HD2  HIS   2          2HD       HIS   2  -5.252  -0.388 -11.653
   12    HE1  HIS   2          1HE       HIS   2  -8.289  -0.385  -8.704
   13    H    CYS   3           H        CYS   3  -4.205  -3.452  -8.958
   14    HA   CYS   3           HA       CYS   3  -5.454  -5.668  -7.565
   15    HB2  CYS   3          2HB       CYS   3  -3.668  -3.564  -6.443
   16    HB3  CYS   3          1HB       CYS   3  -3.849  -5.238  -5.920
   17    H    ASP   4           H        ASP   4  -7.359  -5.347  -6.555
   18    HA   ASP   4           HA       ASP   4  -8.080  -2.609  -5.730
   19    HB2  ASP   4          2HB       ASP   4  -9.871  -4.863  -6.617
   20    HB3  ASP   4          1HB       ASP   4 -10.471  -3.435  -5.803
   21    H    HIS   5           H        HIS   5  -7.859  -5.930  -4.687
   22    HA   HIS   5           HA       HIS   5  -9.412  -5.668  -2.322
   23    HB2  HIS   5          2HB       HIS   5  -7.263  -7.666  -3.018
   24    HB3  HIS   5          1HB       HIS   5  -8.275  -7.755  -1.588
   25    HD1  HIS   5          1HD       HIS   5  -8.214  -8.492  -5.210
   26    HD2  HIS   5          2HD       HIS   5 -10.953  -8.427  -2.094
   27    HE1  HIS   5          1HE       HIS   5 -10.183  -9.865  -5.984
   28    H    PHE   6           H        PHE   6  -8.910  -4.495  -0.641
   29    HA   PHE   6           HA       PHE   6  -6.251  -3.716  -0.002
   30    HB2  PHE   6          2HB       PHE   6  -8.095  -2.262   0.625
   31    HB3  PHE   6          1HB       PHE   6  -8.867  -3.565   1.515
   32    HD1  PHE   6          1HD       PHE   6  -8.415  -3.903   3.767
   33    HD2  PHE   6          2HD       PHE   6  -5.870  -1.364   1.489
   34    HE1  PHE   6          1HE       PHE   6  -7.300  -3.189   5.826
   35    HE2  PHE   6          2HE       PHE   6  -4.752  -0.645   3.556
   36    HZ   PHE   6           HZ       PHE   6  -5.463  -1.556   5.724
   37    H    LEU   7           H        LEU   7  -4.861  -5.065   0.787
   38    HA   LEU   7           HA       LEU   7  -5.761  -7.522   2.079
   39    HB2  LEU   7          2HB       LEU   7  -3.072  -6.617   1.129
   40    HB3  LEU   7          1HB       LEU   7  -3.347  -8.168   1.873
   41    HG   LEU   7           HG       LEU   7  -4.449  -7.184  -0.762
   42   HD11  LEU   7          1HD1      LEU   7  -2.487  -9.344  -0.073
   43   HD12  LEU   7          2HD1      LEU   7  -2.130  -7.798  -0.847
   44   HD13  LEU   7          3HD1      LEU   7  -3.110  -9.001  -1.685
   45   HD21  LEU   7          1HD2      LEU   7  -4.924  -9.821   0.636
   46   HD22  LEU   7          2HD2      LEU   7  -5.383  -9.447  -1.023
   47   HD23  LEU   7          3HD2      LEU   7  -6.136  -8.578   0.310
   48    H    GLY   8           H        GLY   8  -3.853  -4.672   2.728
   49    HA2  GLY   8          2HA       GLY   8  -4.251  -4.665   5.476
   50    HA3  GLY   8          1HA       GLY   8  -2.728  -5.467   5.127
   51    H    GLU   9           H        GLU   9  -2.464  -3.168   6.420
   52    HA   GLU   9           HA       GLU   9  -1.695  -1.322   4.287
   53    HB2  GLU   9          2HB       GLU   9  -1.644   0.454   5.957
   54    HB3  GLU   9          1HB       GLU   9  -3.212  -0.328   5.961
   55    HG2  GLU   9          2HG       GLU   9  -2.706  -1.478   7.987
   56    HG3  GLU   9          1HG       GLU   9  -1.026  -0.942   7.925
   57    H    ALA  10           H        ALA  10   0.374  -0.179   4.693
   58    HA   ALA  10           HA       ALA  10   2.280  -1.846   6.179
   59    HB1  ALA  10          1HB       ALA  10   2.452  -2.411   3.796
   60    HB2  ALA  10          2HB       ALA  10   3.907  -1.592   4.364
   61    HB3  ALA  10          3HB       ALA  10   2.714  -0.710   3.411
   62    HA   PRO  11           HA       PRO  11   3.607   2.193   7.543
   63    HB2  PRO  11          2HB       PRO  11   5.880   1.474   8.817
   64    HB3  PRO  11          1HB       PRO  11   4.281   1.145   9.493
   65    HG2  PRO  11          2HG       PRO  11   6.181  -0.693   8.121
   66    HG3  PRO  11          1HG       PRO  11   5.065  -1.022   9.453
   67    HD2  PRO  11          2HD       PRO  11   4.624  -1.683   6.799
   68    HD3  PRO  11          1HD       PRO  11   3.368  -1.537   8.043
   69    H    VAL  12           H        VAL  12   4.337   3.557   5.988
   70    HA   VAL  12           HA       VAL  12   7.041   3.174   4.913
   71    HB   VAL  12           HB       VAL  12   4.679   4.101   3.245
   72   HG11  VAL  12          1HG1      VAL  12   7.483   3.393   2.414
   73   HG12  VAL  12          2HG1      VAL  12   6.844   5.019   2.583
   74   HG13  VAL  12          3HG1      VAL  12   6.187   3.939   1.347
   75   HG21  VAL  12          1HG2      VAL  12   4.414   1.725   3.703
   76   HG22  VAL  12          2HG2      VAL  12   6.064   1.432   3.156
   77   HG23  VAL  12          3HG2      VAL  12   4.842   1.988   2.011
   78    H    TYR  13           H        TYR  13   8.164   5.027   5.400
   79    HA   TYR  13           HA       TYR  13   6.890   7.529   4.833
   80    HB2  TYR  13          2HB       TYR  13   6.431   7.141   7.295
   81    HB3  TYR  13          1HB       TYR  13   8.175   7.150   7.558
   82    HD1  TYR  13          1HD       TYR  13   5.310   9.202   6.460
   83    HD2  TYR  13          2HD       TYR  13   9.396   9.225   7.651
   84    HE1  TYR  13          1HE       TYR  13   5.251  11.642   6.570
   85    HE2  TYR  13          2HE       TYR  13   9.349  11.677   7.774
   86    HH   TYR  13           HH       TYR  13   6.462  13.480   7.679
   87    HA   PRO  14           HA       PRO  14   7.368   9.511   4.278
   88    HB2  PRO  14          2HB       PRO  14   8.150  10.426   1.813
   89    HB3  PRO  14          1HB       PRO  14   8.641  11.167   3.335
   90    HG2  PRO  14          2HG       PRO  14  10.170   9.340   1.548
   91    HG3  PRO  14          1HG       PRO  14  10.744  10.692   2.529
   92    HD2  PRO  14          2HD       PRO  14  11.039   8.060   3.223
   93    HD3  PRO  14          1HD       PRO  14  10.986   9.390   4.391
   94    H    CYS  15           H        CYS  15   5.502   8.967   3.301
   95    HA   CYS  15           HA       CYS  15   5.442   6.414   2.009
   96    HB2  CYS  15          2HB       CYS  15   3.849   7.261   3.815
   97    HB3  CYS  15          1HB       CYS  15   3.107   8.239   2.559
   98    H    LYS  16           H        LYS  16   6.066   6.440  -0.070
   99    HA   LYS  16           HA       LYS  16   4.766   8.294  -1.945
  100    HB2  LYS  16          2HB       LYS  16   7.347   8.055  -1.708
  101    HB3  LYS  16          1HB       LYS  16   7.131   6.500  -2.498
  102    HG2  LYS  16          2HG       LYS  16   7.744   8.026  -4.176
  103    HG3  LYS  16          1HG       LYS  16   6.004   7.776  -4.367
  104    HD2  LYS  16          2HD       LYS  16   5.622   9.804  -2.995
  105    HD3  LYS  16          1HD       LYS  16   7.358  10.065  -2.977
  106    HE2  LYS  16          2HE       LYS  16   6.441  11.461  -4.704
  107    HE3  LYS  16          1HE       LYS  16   7.328  10.145  -5.466
  108    HZ1  LYS  16          1HZ       LYS  16   5.210  10.500  -6.565
  109    HZ2  LYS  16          2HZ       LYS  16   4.399  10.317  -5.125
  110    HZ3  LYS  16          3HZ       LYS  16   5.157   8.995  -5.805
  111    H    GLU  17           H        GLU  17   3.867   7.202  -3.926
  112    HA   GLU  17           HA       GLU  17   2.595   4.761  -3.246
  113    HB2  GLU  17          2HB       GLU  17   1.497   4.819  -5.365
  114    HB3  GLU  17          1HB       GLU  17   1.516   6.441  -4.716
  115    HG2  GLU  17          2HG       GLU  17   3.364   5.409  -6.862
  116    HG3  GLU  17          1HG       GLU  17   1.865   6.306  -7.098
  117    H    LYS  18           H        LYS  18   5.273   5.565  -5.347
  118    HA   LYS  18           HA       LYS  18   5.666   2.934  -6.323
  119    HB2  LYS  18          2HB       LYS  18   7.663   5.171  -6.007
  120    HB3  LYS  18          1HB       LYS  18   7.966   3.681  -6.888
  121    HG2  LYS  18          2HG       LYS  18   6.161   4.240  -8.440
  122    HG3  LYS  18          1HG       LYS  18   5.883   5.745  -7.558
  123    HD2  LYS  18          2HD       LYS  18   8.166   6.449  -8.043
  124    HD3  LYS  18          1HD       LYS  18   8.447   4.949  -8.923
  125    HE2  LYS  18          2HE       LYS  18   6.691   5.557 -10.516
  126    HE3  LYS  18          1HE       LYS  18   6.404   7.050  -9.627
  127    HZ1  LYS  18          1HZ       LYS  18   7.818   7.397 -11.555
  128    HZ2  LYS  18          2HZ       LYS  18   8.961   6.319 -10.934
  129    HZ3  LYS  18          3HZ       LYS  18   8.628   7.755 -10.116
  130    H    ALA  19           H        ALA  19   6.752   4.584  -3.459
  131    HA   ALA  19           HA       ALA  19   8.567   2.628  -2.537
  132    HB1  ALA  19          1HB       ALA  19   8.310   3.712  -0.348
  133    HB2  ALA  19          2HB       ALA  19   6.912   4.600  -0.954
  134    HB3  ALA  19          3HB       ALA  19   8.512   4.911  -1.626
  135    H    CYS  20           H        CYS  20   5.134   3.236  -1.917
  136    HA   CYS  20           HA       CYS  20   4.673   1.050  -0.268
  137    HB2  CYS  20          2HB       CYS  20   2.918   2.679  -2.033
  138    HB3  CYS  20          1HB       CYS  20   2.287   1.271  -1.187
  139    H    LYS  21           H        LYS  21   4.537   1.272  -3.781
  140    HA   LYS  21           HA       LYS  21   3.538  -1.324  -4.167
  141    HB2  LYS  21          2HB       LYS  21   3.536   0.476  -5.890
  142    HB3  LYS  21          1HB       LYS  21   5.270   0.300  -6.040
  143    HG2  LYS  21          2HG       LYS  21   5.059  -1.880  -6.973
  144    HG3  LYS  21          1HG       LYS  21   3.341  -1.944  -6.588
  145    HD2  LYS  21          2HD       LYS  21   3.673  -1.503  -8.960
  146    HD3  LYS  21          1HD       LYS  21   2.918  -0.122  -8.177
  147    HE2  LYS  21          2HE       LYS  21   4.617   0.592  -9.750
  148    HE3  LYS  21          1HE       LYS  21   5.099   1.018  -8.109
  149    HZ1  LYS  21          1HZ       LYS  21   6.089  -1.326  -9.656
  150    HZ2  LYS  21          2HZ       LYS  21   6.569  -0.907  -8.102
  151    HZ3  LYS  21          3HZ       LYS  21   6.931   0.103  -9.386
  152    H    SER  22           H        SER  22   6.596  -0.244  -3.208
  153    HA   SER  22           HA       SER  22   7.955  -2.727  -3.817
  154    HB2  SER  22          2HB       SER  22   9.211  -0.636  -4.050
  155    HB3  SER  22          1HB       SER  22   8.812  -0.178  -2.401
  156    HG   SER  22           HG       SER  22  10.145  -2.601  -2.801
  157    H    VAL  23           H        VAL  23   7.116  -0.788  -0.937
  158    HA   VAL  23           HA       VAL  23   7.933  -2.670   0.966
  159    HB   VAL  23           HB       VAL  23   5.973  -0.381   1.300
  160   HG11  VAL  23          1HG1      VAL  23   6.536  -0.512   3.707
  161   HG12  VAL  23          2HG1      VAL  23   7.490  -1.956   3.380
  162   HG13  VAL  23          3HG1      VAL  23   5.750  -1.978   3.123
  163   HG21  VAL  23          1HG2      VAL  23   8.937  -0.557   1.810
  164   HG22  VAL  23          2HG2      VAL  23   7.926   0.835   2.183
  165   HG23  VAL  23          3HG2      VAL  23   8.162   0.338   0.507
  166    H    CYS  24           H        CYS  24   4.758  -2.219  -0.534
  167    HA   CYS  24           HA       CYS  24   3.455  -3.984   1.209
  168    HB2  CYS  24          2HB       CYS  24   2.741  -3.014  -1.543
  169    HB3  CYS  24          1HB       CYS  24   1.716  -4.119  -0.630
  170    H    LYS  25           H        LYS  25   5.484  -4.593  -1.540
  171    HA   LYS  25           HA       LYS  25   4.569  -7.331  -1.751
  172    HB2  LYS  25          2HB       LYS  25   6.884  -5.922  -3.088
  173    HB3  LYS  25          1HB       LYS  25   6.349  -7.554  -3.456
  174    HG2  LYS  25          2HG       LYS  25   4.157  -6.619  -4.146
  175    HG3  LYS  25          1HG       LYS  25   4.818  -5.002  -3.894
  176    HD2  LYS  25          2HD       LYS  25   6.576  -5.484  -5.523
  177    HD3  LYS  25          1HD       LYS  25   5.876  -7.078  -5.805
  178    HE2  LYS  25          2HE       LYS  25   3.775  -5.960  -6.518
  179    HE3  LYS  25          1HE       LYS  25   4.590  -4.405  -6.353
  180    HZ1  LYS  25          1HZ       LYS  25   4.666  -5.128  -8.642
  181    HZ2  LYS  25          2HZ       LYS  25   5.324  -6.606  -8.183
  182    HZ3  LYS  25          3HZ       LYS  25   6.227  -5.195  -7.991
  183    H    GLU  26           H        GLU  26   6.815  -5.500  -0.002
  184    HA   GLU  26           HA       GLU  26   8.673  -7.517   0.666
  185    HB2  GLU  26          2HB       GLU  26   9.213  -5.158   0.672
  186    HB3  GLU  26          1HB       GLU  26   7.899  -4.826   1.781
  187    HG2  GLU  26          2HG       GLU  26   9.898  -4.716   2.964
  188    HG3  GLU  26          1HG       GLU  26   9.033  -6.189   3.436
  189    H    HIS  27           H        HIS  27   5.845  -5.982   2.107
  190    HA   HIS  27           HA       HIS  27   5.923  -7.643   4.446
  191    HB2  HIS  27          2HB       HIS  27   4.034  -5.485   3.548
  192    HB3  HIS  27          1HB       HIS  27   3.681  -6.485   4.946
  193    HD1  HIS  27          1HD       HIS  27   4.357  -5.370   7.077
  194    HD2  HIS  27          2HD       HIS  27   6.752  -4.243   3.876
  195    HE1  HIS  27          1HE       HIS  27   6.050  -3.770   8.016
  196    H    TYR  28           H        TYR  28   3.870  -7.478   1.536
  197    HA   TYR  28           HA       TYR  28   2.501  -9.875   2.512
  198    HB2  TYR  28          2HB       TYR  28   1.400  -7.640   0.779
  199    HB3  TYR  28          1HB       TYR  28   0.495  -9.055   1.296
  200    HD1  TYR  28          1HD       TYR  28   1.850  -5.807   2.291
  201    HD2  TYR  28          2HD       TYR  28  -0.292  -9.231   3.644
  202    HE1  TYR  28          1HE       TYR  28   1.209  -4.592   4.312
  203    HE2  TYR  28          2HE       TYR  28  -0.951  -7.995   5.682
  204    HH   TYR  28           HH       TYR  28  -0.426  -4.631   6.086
  205    H    HIS  29           H        HIS  29   2.016 -11.435   0.929
  206    HA   HIS  29           HA       HIS  29   3.919 -11.376  -1.274
  207    HB2  HIS  29          2HB       HIS  29   2.343 -13.671  -0.114
  208    HB3  HIS  29          1HB       HIS  29   3.350 -13.809  -1.544
  209    HD1  HIS  29          1HD       HIS  29   3.523 -13.897   2.132
  210    HD2  HIS  29          2HD       HIS  29   6.129 -13.353  -1.053
  211    HE1  HIS  29          1HE       HIS  29   5.836 -14.277   3.050
  212    H    HIS  30           H        HIS  30   0.560 -11.124  -0.771
  213    HA   HIS  30           HA       HIS  30   0.027 -11.656  -3.603
  214    HB2  HIS  30          2HB       HIS  30  -1.862 -11.300  -1.274
  215    HB3  HIS  30          1HB       HIS  30  -2.395 -11.436  -2.939
  216    HD1  HIS  30          1HD       HIS  30  -3.026 -13.753  -3.615
  217    HD2  HIS  30          2HD       HIS  30  -0.293 -13.698  -0.474
  218    HE1  HIS  30          1HE       HIS  30  -2.672 -16.164  -2.941
  219    H    ALA  31           H        ALA  31   0.849  -9.116  -1.728
  220    HA   ALA  31           HA       ALA  31  -0.950  -7.161  -2.827
  221    HB1  ALA  31          1HB       ALA  31   0.413  -5.506  -1.683
  222    HB2  ALA  31          2HB       ALA  31   1.611  -6.741  -1.292
  223    HB3  ALA  31          3HB       ALA  31  -0.010  -6.826  -0.596
  224    H    CYS  32           H        CYS  32  -0.774  -6.238  -4.684
  225    HA   CYS  32           HA       CYS  32   1.805  -6.352  -6.059
  226    HB2  CYS  32          2HB       CYS  32   0.292  -6.266  -8.150
  227    HB3  CYS  32          1HB       CYS  32   0.420  -7.780  -7.262
  228    H    LYS  33           H        LYS  33  -0.412  -4.287  -4.647
  229    HA   LYS  33           HA       LYS  33   0.736  -1.995  -6.018
  230    HB2  LYS  33          2HB       LYS  33  -1.388  -2.556  -7.197
  231    HB3  LYS  33          1HB       LYS  33  -2.223  -2.477  -5.659
  232    HG2  LYS  33          2HG       LYS  33  -1.722  -0.091  -5.507
  233    HG3  LYS  33          1HG       LYS  33  -0.875  -0.184  -7.052
  234    HD2  LYS  33          2HD       LYS  33  -2.950  -0.869  -8.157
  235    HD3  LYS  33          1HD       LYS  33  -3.802  -0.782  -6.611
  236    HE2  LYS  33          2HE       LYS  33  -3.271   1.591  -6.448
  237    HE3  LYS  33          1HE       LYS  33  -2.409   1.517  -7.977
  238    HZ1  LYS  33          1HZ       LYS  33  -5.316   1.017  -7.598
  239    HZ2  LYS  33          2HZ       LYS  33  -4.488   1.007  -9.087
  240    HZ3  LYS  33          3HZ       LYS  33  -4.624   2.427  -8.197
  241    H    GLY  34           H        GLY  34   0.608  -0.116  -4.689
  242    HA2  GLY  34          2HA       GLY  34  -0.615  -0.323  -2.092
  243    HA3  GLY  34          1HA       GLY  34   1.145  -0.203  -2.108
  244    H    GLU  35           H        GLU  35  -1.330   1.649  -1.524
  245    HA   GLU  35           HA       GLU  35  -0.076   3.971  -2.791
  246    HB2  GLU  35          2HB       GLU  35  -3.065   3.540  -2.679
  247    HB3  GLU  35          1HB       GLU  35  -2.254   4.988  -3.247
  248    HG2  GLU  35          2HG       GLU  35  -1.189   3.619  -5.021
  249    HG3  GLU  35          1HG       GLU  35  -2.183   2.262  -4.499
  250    H    CYS  36           H        CYS  36  -0.158   5.840  -1.619
  251    HA   CYS  36           HA       CYS  36  -0.719   5.492   1.196
  252    HB2  CYS  36          2HB       CYS  36   0.445   7.832  -0.291
  253    HB3  CYS  36          1HB       CYS  36   0.455   7.584   1.447
  254    H    GLU  37           H        GLU  37  -2.633   5.975   1.899
  255    HA   GLU  37           HA       GLU  37  -4.190   8.060   0.548
  256    HB2  GLU  37          2HB       GLU  37  -5.138   5.471   1.794
  257    HB3  GLU  37          1HB       GLU  37  -6.197   6.736   1.187
  258    HG2  GLU  37          2HG       GLU  37  -4.171   5.316  -0.524
  259    HG3  GLU  37          1HG       GLU  37  -5.840   4.781  -0.365
  260    H    TYR  38           H        TYR  38  -5.480   9.313   1.964
  261    HA   TYR  38           HA       TYR  38  -4.158   9.553   4.540
  262    HB2  TYR  38          2HB       TYR  38  -5.864  11.475   2.978
  263    HB3  TYR  38          1HB       TYR  38  -5.264  11.799   4.600
  264    HD1  TYR  38          1HD       TYR  38  -3.019  12.458   4.964
  265    HD2  TYR  38          2HD       TYR  38  -4.252  11.244   1.082
  266    HE1  TYR  38          1HE       TYR  38  -0.923  13.304   4.040
  267    HE2  TYR  38          2HE       TYR  38  -2.165  12.073   0.145
  268    HH   TYR  38           HH       TYR  38  -0.394  13.772   0.753
  269    H    HIS  39           H        HIS  39  -5.184   9.565   6.445
  270    HA   HIS  39           HA       HIS  39  -8.062   9.104   6.374
  271    HB2  HIS  39          2HB       HIS  39  -6.833   6.935   6.733
  272    HB3  HIS  39          1HB       HIS  39  -6.112   7.629   8.178
  273    HD1  HIS  39          1HD       HIS  39  -8.961   5.630   7.105
  274    HD2  HIS  39          2HD       HIS  39  -8.154   8.312  10.174
  275    HE1  HIS  39          1HE       HIS  39 -10.709   5.217   8.840
  276    H    GLY  40           H        GLY  40  -8.383  11.234   6.905
  277    HA2  GLY  40          2HA       GLY  40  -8.942  12.818   8.482
  278    HA3  GLY  40          1HA       GLY  40  -8.159  11.826   9.703
  279    H    ARG  41           H        ARG  41  -5.744  11.787   9.559
  280    HA   ARG  41           HA       ARG  41  -4.748  14.472   8.845
  281    HB2  ARG  41          2HB       ARG  41  -3.981  12.891  11.313
  282    HB3  ARG  41          1HB       ARG  41  -3.310  14.444  10.843
  283    HG2  ARG  41          2HG       ARG  41  -5.511  15.479  11.129
  284    HG3  ARG  41          1HG       ARG  41  -6.175  13.911  11.589
  285    HD2  ARG  41          2HD       ARG  41  -4.575  13.849  13.489
  286    HD3  ARG  41          1HD       ARG  41  -4.052  15.473  13.050
  287    HE   ARG  41           HE       ARG  41  -6.646  15.866  13.297
  288   HH11  ARG  41          1HH1      ARG  41  -4.400  14.239  15.485
  289   HH12  ARG  41          2HH1      ARG  41  -5.358  14.448  16.874
  290   HH21  ARG  41          1HH2      ARG  41  -7.951  16.196  15.186
  291   HH22  ARG  41          2HH2      ARG  41  -7.463  15.571  16.691
  292    H    GLU  42           H        GLU  42  -3.625  11.259   9.850
  293    HA   GLU  42           HA       GLU  42  -1.138  11.610   8.468
  294    HB2  GLU  42          2HB       GLU  42  -2.255   9.341  10.101
  295    HB3  GLU  42          1HB       GLU  42  -0.670   9.323   9.350
  296    HG2  GLU  42          2HG       GLU  42  -1.588  11.353  11.373
  297    HG3  GLU  42          1HG       GLU  42  -0.581   9.946  11.725
  298    H    VAL  43           H        VAL  43  -0.294  10.064   7.014
  299    HA   VAL  43           HA       VAL  43  -2.364   9.066   5.237
  300    HB   VAL  43           HB       VAL  43  -0.729  10.730   4.303
  301   HG11  VAL  43          1HG1      VAL  43   1.523  10.011   3.717
  302   HG12  VAL  43          2HG1      VAL  43   1.282   8.547   4.670
  303   HG13  VAL  43          3HG1      VAL  43   1.279  10.130   5.463
  304   HG21  VAL  43          1HG2      VAL  43  -0.715   8.005   3.062
  305   HG22  VAL  43          2HG2      VAL  43  -0.245   9.497   2.238
  306   HG23  VAL  43          3HG2      VAL  43  -1.901   9.284   2.806
  307    H    HIS  44           H        HIS  44  -2.466   6.953   4.754
  308    HA   HIS  44           HA       HIS  44  -0.494   5.238   6.037
  309    HB2  HIS  44          2HB       HIS  44  -3.497   4.932   5.984
  310    HB3  HIS  44          1HB       HIS  44  -2.433   3.563   6.276
  311    HD1  HIS  44          1HD       HIS  44  -2.096   3.109   8.726
  312    HD2  HIS  44          2HD       HIS  44  -2.799   7.132   7.927
  313    HE1  HIS  44          1HE       HIS  44  -2.095   4.272  10.959
  314    H    CYS  45           H        CYS  45   0.170   3.549   4.961
  315    HA   CYS  45           HA       CYS  45  -0.238   3.636   2.092
  316    HB2  CYS  45          2HB       CYS  45   2.040   3.566   2.934
  317    HB3  CYS  45          1HB       CYS  45   1.684   2.103   3.841
  318    H    HIS  46           H        HIS  46  -1.774   2.417   1.251
  319    HA   HIS  46           HA       HIS  46  -2.671   0.081   2.743
  320    HB2  HIS  46          2HB       HIS  46  -4.049   1.720   0.607
  321    HB3  HIS  46          1HB       HIS  46  -4.737   0.294   1.369
  322    HD1  HIS  46          1HD       HIS  46  -5.984   3.260   1.549
  323    HD2  HIS  46          2HD       HIS  46  -3.707   1.345   4.463
  324    HE1  HIS  46          1HE       HIS  46  -6.572   4.345   3.711
  325    H    CYS  47           H        CYS  47  -2.290  -1.871   1.979
  326    HA   CYS  47           HA       CYS  47  -0.998  -2.118  -0.603
  327    HB2  CYS  47          2HB       CYS  47  -1.347  -4.159   1.602
  328    HB3  CYS  47          1HB       CYS  47  -0.324  -4.295   0.183
  329    H    TYR  48           H        TYR  48  -1.968  -2.943  -2.265
  330    HA   TYR  48           HA       TYR  48  -4.568  -4.247  -1.895
  331    HB2  TYR  48          2HB       TYR  48  -3.598  -2.677  -4.290
  332    HB3  TYR  48          1HB       TYR  48  -5.191  -3.384  -4.083
  333    HD1  TYR  48          1HD       TYR  48  -3.059  -0.549  -3.443
  334    HD2  TYR  48          2HD       TYR  48  -6.735  -2.395  -2.359
  335    HE1  TYR  48          1HE       TYR  48  -3.820   1.557  -2.484
  336    HE2  TYR  48          2HE       TYR  48  -7.509  -0.288  -1.392
  337    HH   TYR  48           HH       TYR  48  -6.597   1.777  -0.520
  338    H    GLY  49           H        GLY  49  -4.920  -6.073  -3.100
  339    HA2  GLY  49          2HA       GLY  49  -3.133  -6.995  -5.117
  340    HA3  GLY  49          1HA       GLY  49  -2.857  -7.805  -3.582
  341    H    ASP  50           H        ASP  50  -3.552  -9.761  -4.316
  342    HA   ASP  50           HA       ASP  50  -6.417  -9.890  -4.864
  343    HB2  ASP  50          2HB       ASP  50  -6.052 -12.098  -5.872
  344    HB3  ASP  50          1HB       ASP  50  -5.079 -10.883  -6.678
  345    H    TYR  51           H        TYR  51  -7.687 -11.019  -3.587
  346    HA   TYR  51           HA       TYR  51  -6.476 -11.987  -1.127
  347    HB2  TYR  51          2HB       TYR  51  -8.330 -10.314  -0.992
  348    HB3  TYR  51          1HB       TYR  51  -9.391 -11.467  -1.790
  349    HD1  TYR  51          1HD       TYR  51 -10.333 -13.323  -0.567
  350    HD2  TYR  51          2HD       TYR  51  -7.567 -10.697   1.311
  351    HE1  TYR  51          1HE       TYR  51 -10.936 -14.258   1.609
  352    HE2  TYR  51          2HE       TYR  51  -8.158 -11.625   3.497
  353    HH   TYR  51           HH       TYR  51  -9.983 -14.481   3.852
  354    H    HIS  52           H        HIS  52  -5.976 -14.042  -1.240
  355    HA   HIS  52           HA       HIS  52  -7.859 -15.894  -2.502
  356    HB2  HIS  52          2HB       HIS  52  -5.725 -15.382  -3.855
  357    HB3  HIS  52          1HB       HIS  52  -4.849 -16.168  -2.555
  358    HD1  HIS  52          1HD       HIS  52  -5.742 -16.957  -5.772
  359    HD2  HIS  52          2HD       HIS  52  -6.396 -18.892  -2.163
  360    HE1  HIS  52          1HE       HIS  52  -6.147 -19.371  -6.353
  Start of MODEL   12
    1    H1   ALA   1           H        ALA   1  -5.862 -11.888 -11.436
    2    HA   ALA   1           HA       ALA   1  -4.018 -10.347 -11.574
    3    HB1  ALA   1          1HB       ALA   1  -5.774  -9.934 -13.984
    4    HB2  ALA   1          2HB       ALA   1  -4.640 -11.267 -13.750
    5    HB3  ALA   1          3HB       ALA   1  -4.044  -9.616 -13.902
    6    H    HIS   2           H        HIS   2  -6.510  -8.996 -10.219
    7    HA   HIS   2           HA       HIS   2  -5.718  -6.285 -10.943
    8    HB2  HIS   2          2HB       HIS   2  -8.501  -7.244 -10.250
    9    HB3  HIS   2          1HB       HIS   2  -8.035  -5.550 -10.278
   10    HD1  HIS   2          1HD       HIS   2  -9.347  -8.181 -12.406
   11    HD2  HIS   2          2HD       HIS   2  -7.162  -4.689 -12.939
   12    HE1  HIS   2          1HE       HIS   2  -9.561  -7.604 -14.837
   13    H    CYS   3           H        CYS   3  -4.984  -5.134  -9.351
   14    HA   CYS   3           HA       CYS   3  -4.891  -6.321  -6.724
   15    HB2  CYS   3          2HB       CYS   3  -3.796  -3.661  -7.611
   16    HB3  CYS   3          1HB       CYS   3  -3.291  -4.637  -6.234
   17    H    ASP   4           H        ASP   4  -7.051  -6.140  -6.173
   18    HA   ASP   4           HA       ASP   4  -7.962  -3.383  -5.636
   19    HB2  ASP   4          2HB       ASP   4  -9.284  -4.227  -7.447
   20    HB3  ASP   4          1HB       ASP   4  -9.601  -5.729  -6.592
   21    H    HIS   5           H        HIS   5  -7.435  -6.500  -4.347
   22    HA   HIS   5           HA       HIS   5  -9.254  -6.269  -2.154
   23    HB2  HIS   5          2HB       HIS   5  -6.945  -8.132  -2.677
   24    HB3  HIS   5          1HB       HIS   5  -7.900  -8.187  -1.205
   25    HD1  HIS   5          1HD       HIS   5  -7.931  -9.277  -4.781
   26    HD2  HIS   5          2HD       HIS   5 -10.568  -9.027  -1.564
   27    HE1  HIS   5          1HE       HIS   5  -9.856 -10.742  -5.354
   28    H    PHE   6           H        PHE   6  -8.995  -4.927  -0.540
   29    HA   PHE   6           HA       PHE   6  -6.525  -3.744   0.199
   30    HB2  PHE   6          2HB       PHE   6  -9.175  -3.990   1.650
   31    HB3  PHE   6          1HB       PHE   6  -7.793  -3.168   2.352
   32    HD1  PHE   6          1HD       PHE   6 -10.225  -3.062  -0.454
   33    HD2  PHE   6          2HD       PHE   6  -7.289  -0.949   1.775
   34    HE1  PHE   6          1HE       PHE   6 -10.924  -0.954  -1.512
   35    HE2  PHE   6          2HE       PHE   6  -7.983   1.140   0.713
   36    HZ   PHE   6           HZ       PHE   6  -9.811   1.136  -0.939
   37    H    LEU   7           H        LEU   7  -4.916  -4.895   0.955
   38    HA   LEU   7           HA       LEU   7  -5.372  -7.397   2.305
   39    HB2  LEU   7          2HB       LEU   7  -2.792  -5.944   1.777
   40    HB3  LEU   7          1HB       LEU   7  -2.941  -7.592   2.344
   41    HG   LEU   7           HG       LEU   7  -3.771  -6.551  -0.362
   42   HD11  LEU   7          1HD1      LEU   7  -1.576  -8.409   0.490
   43   HD12  LEU   7          2HD1      LEU   7  -1.387  -6.748  -0.072
   44   HD13  LEU   7          3HD1      LEU   7  -1.983  -7.989  -1.172
   45   HD21  LEU   7          1HD2      LEU   7  -3.932  -9.342   0.773
   46   HD22  LEU   7          2HD2      LEU   7  -4.226  -8.900  -0.906
   47   HD23  LEU   7          3HD2      LEU   7  -5.299  -8.305   0.359
   48    H    GLY   8           H        GLY   8  -4.131  -4.205   3.116
   49    HA2  GLY   8          2HA       GLY   8  -4.994  -4.233   5.741
   50    HA3  GLY   8          1HA       GLY   8  -3.353  -4.841   5.716
   51    H    GLU   9           H        GLU   9  -3.185  -2.816   7.040
   52    HA   GLU   9           HA       GLU   9  -2.650  -0.489   5.329
   53    HB2  GLU   9          2HB       GLU   9  -3.160  -0.652   8.300
   54    HB3  GLU   9          1HB       GLU   9  -2.680   0.801   7.447
   55    HG2  GLU   9          2HG       GLU   9  -4.756   0.720   6.166
   56    HG3  GLU   9          1HG       GLU   9  -5.229  -0.732   7.047
   57    H    ALA  10           H        ALA  10  -0.570  -0.265   4.913
   58    HA   ALA  10           HA       ALA  10   1.324  -1.040   7.004
   59    HB1  ALA  10          1HB       ALA  10   1.643  -2.325   4.943
   60    HB2  ALA  10          2HB       ALA  10   3.008  -1.263   5.305
   61    HB3  ALA  10          3HB       ALA  10   1.857  -0.811   4.041
   62    HA   PRO  11           HA       PRO  11   2.032   3.336   7.151
   63    HB2  PRO  11          2HB       PRO  11   3.991   3.290   9.023
   64    HB3  PRO  11          1HB       PRO  11   2.290   3.058   9.436
   65    HG2  PRO  11          2HG       PRO  11   4.456   1.031   9.119
   66    HG3  PRO  11          1HG       PRO  11   3.133   1.077  10.299
   67    HD2  PRO  11          2HD       PRO  11   3.180  -0.474   8.040
   68    HD3  PRO  11          1HD       PRO  11   1.690   0.041   8.845
   69    H    VAL  12           H        VAL  12   3.033   4.136   5.373
   70    HA   VAL  12           HA       VAL  12   5.846   3.422   4.997
   71    HB   VAL  12           HB       VAL  12   3.839   4.121   2.830
   72   HG11  VAL  12          1HG1      VAL  12   5.665   3.634   1.252
   73   HG12  VAL  12          2HG1      VAL  12   6.752   3.344   2.606
   74   HG13  VAL  12          3HG1      VAL  12   6.092   4.954   2.338
   75   HG21  VAL  12          1HG2      VAL  12   3.511   1.863   3.703
   76   HG22  VAL  12          2HG2      VAL  12   5.224   1.519   3.444
   77   HG23  VAL  12          3HG2      VAL  12   4.170   1.814   2.066
   78    H    TYR  13           H        TYR  13   7.158   5.049   5.241
   79    HA   TYR  13           HA       TYR  13   6.310   7.669   4.381
   80    HB2  TYR  13          2HB       TYR  13   5.860   7.449   6.870
   81    HB3  TYR  13          1HB       TYR  13   7.586   7.198   7.087
   82    HD1  TYR  13          1HD       TYR  13   5.058   9.640   5.919
   83    HD2  TYR  13          2HD       TYR  13   9.063   9.045   7.220
   84    HE1  TYR  13          1HE       TYR  13   5.361  12.065   6.063
   85    HE2  TYR  13          2HE       TYR  13   9.381  11.465   7.367
   86    HH   TYR  13           HH       TYR  13   8.460  13.483   6.512
   87    HA   PRO  14           HA       PRO  14   7.207   9.545   3.872
   88    HB2  PRO  14          2HB       PRO  14   8.200  10.532   1.591
   89    HB3  PRO  14          1HB       PRO  14   9.017  10.806   3.138
   90    HG2  PRO  14          2HG       PRO  14   9.613   8.754   1.037
   91    HG3  PRO  14          1HG       PRO  14  10.733   9.856   1.859
   92    HD2  PRO  14          2HD       PRO  14  10.412   7.284   2.635
   93    HD3  PRO  14          1HD       PRO  14  10.761   8.582   3.794
   94    H    CYS  15           H        CYS  15   5.703  10.082   2.081
   95    HA   CYS  15           HA       CYS  15   4.750   7.671   0.871
   96    HB2  CYS  15          2HB       CYS  15   3.034   9.050   1.739
   97    HB3  CYS  15          1HB       CYS  15   3.677  10.476   0.928
   98    H    LYS  16           H        LYS  16   5.527   6.966  -0.855
   99    HA   LYS  16           HA       LYS  16   5.728   8.640  -3.206
  100    HB2  LYS  16          2HB       LYS  16   7.954   7.986  -1.871
  101    HB3  LYS  16          1HB       LYS  16   7.736   6.474  -2.742
  102    HG2  LYS  16          2HG       LYS  16   9.248   7.865  -3.960
  103    HG3  LYS  16          1HG       LYS  16   7.725   7.809  -4.854
  104    HD2  LYS  16          2HD       LYS  16   7.061   9.935  -3.934
  105    HD3  LYS  16          1HD       LYS  16   8.488   9.975  -2.910
  106    HE2  LYS  16          2HE       LYS  16   9.907  10.040  -4.926
  107    HE3  LYS  16          1HE       LYS  16   8.457  10.052  -5.928
  108    HZ1  LYS  16          1HZ       LYS  16   9.386  12.279  -5.578
  109    HZ2  LYS  16          2HZ       LYS  16   9.138  12.138  -3.923
  110    HZ3  LYS  16          3HZ       LYS  16   7.824  12.150  -4.974
  111    H    GLU  17           H        GLU  17   4.925   7.404  -4.884
  112    HA   GLU  17           HA       GLU  17   3.199   5.266  -4.208
  113    HB2  GLU  17          2HB       GLU  17   4.237   6.031  -6.940
  114    HB3  GLU  17          1HB       GLU  17   2.921   4.912  -6.639
  115    HG2  GLU  17          2HG       GLU  17   1.639   6.684  -5.602
  116    HG3  GLU  17          1HG       GLU  17   2.952   7.821  -5.905
  117    H    LYS  18           H        LYS  18   6.292   5.338  -5.780
  118    HA   LYS  18           HA       LYS  18   6.549   2.576  -6.229
  119    HB2  LYS  18          2HB       LYS  18   7.963   4.311  -7.300
  120    HB3  LYS  18          1HB       LYS  18   8.780   4.558  -5.764
  121    HG2  LYS  18          2HG       LYS  18   9.578   2.257  -5.805
  122    HG3  LYS  18          1HG       LYS  18   8.738   1.990  -7.332
  123    HD2  LYS  18          2HD       LYS  18  10.116   3.769  -8.354
  124    HD3  LYS  18          1HD       LYS  18  10.994   3.925  -6.829
  125    HE2  LYS  18          2HE       LYS  18  11.675   1.576  -6.995
  126    HE3  LYS  18          1HE       LYS  18  10.788   1.447  -8.511
  127    HZ1  LYS  18          1HZ       LYS  18  13.137   1.766  -8.882
  128    HZ2  LYS  18          2HZ       LYS  18  13.118   3.217  -8.029
  129    HZ3  LYS  18          3HZ       LYS  18  12.270   3.082  -9.480
  130    H    ALA  19           H        ALA  19   7.539   4.582  -3.487
  131    HA   ALA  19           HA       ALA  19   8.800   2.526  -1.997
  132    HB1  ALA  19          1HB       ALA  19   7.469   5.037  -0.974
  133    HB2  ALA  19          2HB       ALA  19   9.161   4.910  -1.468
  134    HB3  ALA  19          3HB       ALA  19   8.572   4.012  -0.067
  135    H    CYS  20           H        CYS  20   5.583   3.909  -1.874
  136    HA   CYS  20           HA       CYS  20   4.492   2.428   0.193
  137    HB2  CYS  20          2HB       CYS  20   3.483   4.437  -0.795
  138    HB3  CYS  20          1HB       CYS  20   3.190   3.564  -2.289
  139    H    LYS  21           H        LYS  21   4.305   1.794  -3.294
  140    HA   LYS  21           HA       LYS  21   2.975  -0.662  -3.130
  141    HB2  LYS  21          2HB       LYS  21   3.001   0.672  -5.139
  142    HB3  LYS  21          1HB       LYS  21   4.744   0.562  -5.243
  143    HG2  LYS  21          2HG       LYS  21   4.576  -1.802  -5.713
  144    HG3  LYS  21          1HG       LYS  21   2.814  -1.720  -5.601
  145    HD2  LYS  21          2HD       LYS  21   2.710  -0.257  -7.489
  146    HD3  LYS  21          1HD       LYS  21   4.462  -0.082  -7.519
  147    HE2  LYS  21          2HE       LYS  21   2.973  -2.662  -7.988
  148    HE3  LYS  21          1HE       LYS  21   3.588  -1.615  -9.262
  149    HZ1  LYS  21          1HZ       LYS  21   5.856  -1.991  -8.363
  150    HZ2  LYS  21          2HZ       LYS  21   5.122  -3.402  -8.878
  151    HZ3  LYS  21          3HZ       LYS  21   5.230  -3.083  -7.245
  152    H    SER  22           H        SER  22   6.370   0.140  -2.828
  153    HA   SER  22           HA       SER  22   7.275  -2.556  -3.194
  154    HB2  SER  22          2HB       SER  22   8.653  -0.575  -3.834
  155    HB3  SER  22          1HB       SER  22   8.769  -0.142  -2.133
  156    HG   SER  22           HG       SER  22   9.812  -2.400  -3.463
  157    H    VAL  23           H        VAL  23   6.867  -0.350  -0.417
  158    HA   VAL  23           HA       VAL  23   7.772  -2.194   1.519
  159    HB   VAL  23           HB       VAL  23   5.932   0.207   1.850
  160   HG11  VAL  23          1HG1      VAL  23   5.678  -1.279   3.758
  161   HG12  VAL  23          2HG1      VAL  23   6.611   0.143   4.242
  162   HG13  VAL  23          3HG1      VAL  23   7.426  -1.388   3.931
  163   HG21  VAL  23          1HG2      VAL  23   8.121   0.795   0.975
  164   HG22  VAL  23          2HG2      VAL  23   8.902  -0.092   2.284
  165   HG23  VAL  23          3HG2      VAL  23   7.953   1.352   2.640
  166    H    CYS  24           H        CYS  24   4.649  -1.610   0.055
  167    HA   CYS  24           HA       CYS  24   3.124  -3.292   1.642
  168    HB2  CYS  24          2HB       CYS  24   2.885  -2.540  -1.257
  169    HB3  CYS  24          1HB       CYS  24   1.756  -3.660  -0.501
  170    H    LYS  25           H        LYS  25   5.517  -4.124  -0.766
  171    HA   LYS  25           HA       LYS  25   4.708  -6.895  -0.728
  172    HB2  LYS  25          2HB       LYS  25   6.905  -5.445  -2.155
  173    HB3  LYS  25          1HB       LYS  25   6.885  -7.197  -2.058
  174    HG2  LYS  25          2HG       LYS  25   4.619  -7.144  -3.095
  175    HG3  LYS  25          1HG       LYS  25   4.847  -5.409  -3.342
  176    HD2  LYS  25          2HD       LYS  25   6.770  -5.799  -4.727
  177    HD3  LYS  25          1HD       LYS  25   6.759  -7.507  -4.328
  178    HE2  LYS  25          2HE       LYS  25   4.566  -6.085  -5.823
  179    HE3  LYS  25          1HE       LYS  25   5.843  -7.039  -6.574
  180    HZ1  LYS  25          1HZ       LYS  25   3.710  -8.004  -4.751
  181    HZ2  LYS  25          2HZ       LYS  25   5.048  -8.936  -5.209
  182    HZ3  LYS  25          3HZ       LYS  25   3.959  -8.432  -6.369
  183    H    GLU  26           H        GLU  26   6.593  -4.917   1.200
  184    HA   GLU  26           HA       GLU  26   8.268  -7.115   2.066
  185    HB2  GLU  26          2HB       GLU  26   7.959  -4.370   3.299
  186    HB3  GLU  26          1HB       GLU  26   9.198  -5.551   3.697
  187    HG2  GLU  26          2HG       GLU  26   8.869  -4.020   1.135
  188    HG3  GLU  26          1HG       GLU  26  10.187  -3.910   2.300
  189    H    HIS  27           H        HIS  27   5.422  -5.418   2.943
  190    HA   HIS  27           HA       HIS  27   5.107  -6.897   5.407
  191    HB2  HIS  27          2HB       HIS  27   3.359  -4.868   4.039
  192    HB3  HIS  27          1HB       HIS  27   2.829  -5.758   5.458
  193    HD1  HIS  27          1HD       HIS  27   3.376  -4.693   7.639
  194    HD2  HIS  27          2HD       HIS  27   5.796  -3.331   4.557
  195    HE1  HIS  27          1HE       HIS  27   4.775  -2.851   8.623
  196    H    TYR  28           H        TYR  28   3.597  -6.912   2.181
  197    HA   TYR  28           HA       TYR  28   2.239  -9.374   2.991
  198    HB2  TYR  28          2HB       TYR  28   1.198  -7.315   1.033
  199    HB3  TYR  28          1HB       TYR  28   0.350  -8.744   1.606
  200    HD1  TYR  28          1HD       TYR  28  -0.536  -8.790   3.957
  201    HD2  TYR  28          2HD       TYR  28   1.246  -5.303   2.292
  202    HE1  TYR  28          1HE       TYR  28  -1.509  -7.408   5.766
  203    HE2  TYR  28          2HE       TYR  28   0.283  -3.945   4.096
  204    HH   TYR  28           HH       TYR  28  -0.975  -5.270   6.880
  205    H    HIS  29           H        HIS  29   1.810 -10.790   1.138
  206    HA   HIS  29           HA       HIS  29   4.014 -10.654  -0.779
  207    HB2  HIS  29          2HB       HIS  29   2.247 -12.946   0.053
  208    HB3  HIS  29          1HB       HIS  29   3.348 -13.030  -1.315
  209    HD1  HIS  29          1HD       HIS  29   5.776 -13.561  -0.803
  210    HD2  HIS  29          2HD       HIS  29   3.527 -12.657   2.566
  211    HE1  HIS  29          1HE       HIS  29   7.238 -14.092   1.171
  212    H    HIS  30           H        HIS  30   0.528 -10.922  -0.638
  213    HA   HIS  30           HA       HIS  30   0.228 -11.197  -3.483
  214    HB2  HIS  30          2HB       HIS  30  -1.779 -10.690  -1.289
  215    HB3  HIS  30          1HB       HIS  30  -2.226 -10.772  -2.985
  216    HD1  HIS  30          1HD       HIS  30  -2.844 -13.036  -3.805
  217    HD2  HIS  30          2HD       HIS  30  -0.544 -13.174  -0.354
  218    HE1  HIS  30          1HE       HIS  30  -2.788 -15.462  -3.106
  219    H    ALA  31           H        ALA  31   1.129  -8.647  -1.732
  220    HA   ALA  31           HA       ALA  31  -0.555  -6.601  -2.782
  221    HB1  ALA  31          1HB       ALA  31   2.158  -6.368  -1.501
  222    HB2  ALA  31          2HB       ALA  31   0.602  -6.281  -0.668
  223    HB3  ALA  31          3HB       ALA  31   1.049  -5.044  -1.843
  224    H    CYS  32           H        CYS  32  -0.584  -6.141  -4.804
  225    HA   CYS  32           HA       CYS  32   1.942  -6.024  -6.283
  226    HB2  CYS  32          2HB       CYS  32   0.373  -6.290  -8.295
  227    HB3  CYS  32          1HB       CYS  32   0.630  -7.708  -7.284
  228    H    LYS  33           H        LYS  33  -0.288  -4.158  -4.778
  229    HA   LYS  33           HA       LYS  33   0.559  -1.761  -6.148
  230    HB2  LYS  33          2HB       LYS  33  -1.372  -2.413  -7.485
  231    HB3  LYS  33          1HB       LYS  33  -2.332  -2.667  -6.052
  232    HG2  LYS  33          2HG       LYS  33  -2.278  -0.236  -5.619
  233    HG3  LYS  33          1HG       LYS  33  -1.324  -0.021  -7.092
  234    HD2  LYS  33          2HD       LYS  33  -3.102  -0.881  -8.452
  235    HD3  LYS  33          1HD       LYS  33  -4.037  -1.330  -7.030
  236    HE2  LYS  33          2HE       LYS  33  -4.913   0.693  -8.050
  237    HE3  LYS  33          1HE       LYS  33  -4.281   1.023  -6.442
  238    HZ1  LYS  33          1HZ       LYS  33  -2.782   1.574  -8.960
  239    HZ2  LYS  33          2HZ       LYS  33  -2.380   2.109  -7.387
  240    HZ3  LYS  33          3HZ       LYS  33  -3.733   2.681  -8.150
  241    H    GLY  34           H        GLY  34   0.246   0.070  -4.786
  242    HA2  GLY  34          2HA       GLY  34  -1.049  -0.304  -2.234
  243    HA3  GLY  34          1HA       GLY  34   0.704  -0.095  -2.168
  244    H    GLU  35           H        GLU  35  -1.893   1.598  -1.603
  245    HA   GLU  35           HA       GLU  35  -0.841   3.978  -2.996
  246    HB2  GLU  35          2HB       GLU  35  -3.736   3.362  -2.409
  247    HB3  GLU  35          1HB       GLU  35  -3.133   4.875  -3.056
  248    HG2  GLU  35          2HG       GLU  35  -2.946   2.193  -4.417
  249    HG3  GLU  35          1HG       GLU  35  -4.105   3.463  -4.796
  250    H    CYS  36           H        CYS  36  -0.661   5.849  -1.854
  251    HA   CYS  36           HA       CYS  36  -0.567   5.731   0.990
  252    HB2  CYS  36          2HB       CYS  36  -0.447   8.090  -0.889
  253    HB3  CYS  36          1HB       CYS  36  -0.158   8.180   0.836
  254    H    GLU  37           H        GLU  37  -2.287   5.830   2.252
  255    HA   GLU  37           HA       GLU  37  -4.699   7.173   1.303
  256    HB2  GLU  37          2HB       GLU  37  -4.240   5.134   3.481
  257    HB3  GLU  37          1HB       GLU  37  -5.796   5.840   3.063
  258    HG2  GLU  37          2HG       GLU  37  -4.152   4.376   1.044
  259    HG3  GLU  37          1HG       GLU  37  -5.227   3.528   2.151
  260    H    TYR  38           H        TYR  38  -4.625   9.183   1.958
  261    HA   TYR  38           HA       TYR  38  -3.268   9.872   4.392
  262    HB2  TYR  38          2HB       TYR  38  -4.529  11.506   2.202
  263    HB3  TYR  38          1HB       TYR  38  -3.938  12.216   3.697
  264    HD1  TYR  38          1HD       TYR  38  -1.605  12.413   4.117
  265    HD2  TYR  38          2HD       TYR  38  -2.965  10.619   0.518
  266    HE1  TYR  38          1HE       TYR  38   0.619  12.658   3.187
  267    HE2  TYR  38          2HE       TYR  38  -0.707  10.851  -0.438
  268    HH   TYR  38           HH       TYR  38   1.985  11.663   1.503
  269    H    HIS  39           H        HIS  39  -4.244  10.045   6.227
  270    HA   HIS  39           HA       HIS  39  -6.972  10.987   6.303
  271    HB2  HIS  39          2HB       HIS  39  -7.056   8.460   6.419
  272    HB3  HIS  39          1HB       HIS  39  -6.106   8.558   7.900
  273    HD1  HIS  39          1HD       HIS  39  -7.374   9.306  10.070
  274    HD2  HIS  39          2HD       HIS  39  -9.692   9.309   6.622
  275    HE1  HIS  39          1HE       HIS  39  -9.726   9.641  10.828
  276    H    GLY  40           H        GLY  40  -6.123  12.853   6.998
  277    HA2  GLY  40          2HA       GLY  40  -5.624  14.375   8.611
  278    HA3  GLY  40          1HA       GLY  40  -5.722  13.079   9.798
  279    H    ARG  41           H        ARG  41  -3.930  12.577  10.762
  280    HA   ARG  41           HA       ARG  41  -1.457  13.804   9.944
  281    HB2  ARG  41          2HB       ARG  41  -2.035  13.896  12.267
  282    HB3  ARG  41          1HB       ARG  41  -2.251  12.161  12.338
  283    HG2  ARG  41          2HG       ARG  41  -0.196  12.832  13.433
  284    HG3  ARG  41          1HG       ARG  41   0.142  11.837  12.022
  285    HD2  ARG  41          2HD       ARG  41   0.715  13.836  10.744
  286    HD3  ARG  41          1HD       ARG  41   0.333  14.851  12.140
  287    HE   ARG  41           HE       ARG  41   2.165  13.022  13.029
  288   HH11  ARG  41          1HH1      ARG  41   2.188  15.500  10.504
  289   HH12  ARG  41          2HH1      ARG  41   3.856  15.841  10.669
  290   HH21  ARG  41          1HH2      ARG  41   4.481  13.505  13.235
  291   HH22  ARG  41          2HH2      ARG  41   5.185  14.662  12.236
  292    H    GLU  42           H        GLU  42  -2.608  10.495  10.502
  293    HA   GLU  42           HA       GLU  42  -0.040   9.481   9.651
  294    HB2  GLU  42          2HB       GLU  42  -2.450   8.090  10.790
  295    HB3  GLU  42          1HB       GLU  42  -0.957   7.288  10.338
  296    HG2  GLU  42          2HG       GLU  42  -1.197   9.449  12.418
  297    HG3  GLU  42          1HG       GLU  42  -1.111   7.717  12.739
  298    H    VAL  43           H        VAL  43   0.324   9.162   7.617
  299    HA   VAL  43           HA       VAL  43  -1.842   8.318   5.884
  300    HB   VAL  43           HB       VAL  43  -0.381  10.114   4.984
  301   HG11  VAL  43          1HG1      VAL  43   1.711   9.564   6.105
  302   HG12  VAL  43          2HG1      VAL  43   1.933   9.669   4.349
  303   HG13  VAL  43          3HG1      VAL  43   1.824   8.092   5.132
  304   HG21  VAL  43          1HG2      VAL  43   0.171   9.112   2.819
  305   HG22  VAL  43          2HG2      VAL  43  -1.418   8.601   3.392
  306   HG23  VAL  43          3HG2      VAL  43  -0.041   7.506   3.513
  307    H    HIS  44           H        HIS  44  -2.137   6.284   5.429
  308    HA   HIS  44           HA       HIS  44   0.065   4.422   5.922
  309    HB2  HIS  44          2HB       HIS  44  -2.896   4.007   6.406
  310    HB3  HIS  44          1HB       HIS  44  -1.685   2.732   6.488
  311    HD1  HIS  44          1HD       HIS  44  -3.439   4.987   8.633
  312    HD2  HIS  44          2HD       HIS  44   0.407   3.498   8.432
  313    HE1  HIS  44          1HE       HIS  44  -2.473   5.280  10.954
  314    H    CYS  45           H        CYS  45   0.137   2.645   4.496
  315    HA   CYS  45           HA       CYS  45  -1.073   3.292   1.964
  316    HB2  CYS  45          2HB       CYS  45   1.219   1.566   2.788
  317    HB3  CYS  45          1HB       CYS  45   0.457   1.378   1.213
  318    H    HIS  46           H        HIS  46  -2.858   2.381   1.453
  319    HA   HIS  46           HA       HIS  46  -3.502  -0.176   2.589
  320    HB2  HIS  46          2HB       HIS  46  -5.024   1.706   0.797
  321    HB3  HIS  46          1HB       HIS  46  -5.501   0.020   0.895
  322    HD1  HIS  46          1HD       HIS  46  -6.989   2.805   2.049
  323    HD2  HIS  46          2HD       HIS  46  -5.254  -0.342   4.151
  324    HE1  HIS  46          1HE       HIS  46  -8.165   2.718   4.259
  325    H    CYS  47           H        CYS  47  -2.580  -1.768   1.884
  326    HA   CYS  47           HA       CYS  47  -1.377  -1.825  -0.711
  327    HB2  CYS  47          2HB       CYS  47  -1.458  -3.910   1.465
  328    HB3  CYS  47          1HB       CYS  47  -0.381  -3.894   0.068
  329    H    TYR  48           H        TYR  48  -2.287  -2.629  -2.410
  330    HA   TYR  48           HA       TYR  48  -4.793  -4.092  -2.153
  331    HB2  TYR  48          2HB       TYR  48  -3.532  -2.661  -4.484
  332    HB3  TYR  48          1HB       TYR  48  -5.037  -3.561  -4.572
  333    HD1  TYR  48          1HD       TYR  48  -7.005  -2.714  -3.223
  334    HD2  TYR  48          2HD       TYR  48  -3.466  -0.433  -3.802
  335    HE1  TYR  48          1HE       TYR  48  -8.237  -0.691  -2.671
  336    HE2  TYR  48          2HE       TYR  48  -4.695   1.615  -3.235
  337    HH   TYR  48           HH       TYR  48  -7.671   1.641  -1.769
  338    H    GLY  49           H        GLY  49  -4.893  -6.115  -2.773
  339    HA2  GLY  49          2HA       GLY  49  -2.630  -7.171  -4.279
  340    HA3  GLY  49          1HA       GLY  49  -3.220  -8.015  -2.865
  341    H    ASP  50           H        ASP  50  -3.192  -9.553  -4.816
  342    HA   ASP  50           HA       ASP  50  -5.876  -9.626  -5.975
  343    HB2  ASP  50          2HB       ASP  50  -4.383  -8.831  -7.703
  344    HB3  ASP  50          1HB       ASP  50  -3.234 -10.113  -7.355
  345    H    TYR  51           H        TYR  51  -6.750 -11.715  -6.144
  346    HA   TYR  51           HA       TYR  51  -5.141 -13.869  -4.951
  347    HB2  TYR  51          2HB       TYR  51  -7.961 -13.089  -4.252
  348    HB3  TYR  51          1HB       TYR  51  -7.305 -14.674  -3.896
  349    HD1  TYR  51          1HD       TYR  51  -7.326 -11.141  -2.965
  350    HD2  TYR  51          2HD       TYR  51  -5.584 -14.937  -2.194
  351    HE1  TYR  51          1HE       TYR  51  -6.484 -10.315  -0.816
  352    HE2  TYR  51          2HE       TYR  51  -4.735 -14.130  -0.048
  353    HH   TYR  51           HH       TYR  51  -5.821 -11.253   1.346
  354    H    HIS  52           H        HIS  52  -4.871 -15.244  -6.558
  355    HA   HIS  52           HA       HIS  52  -7.243 -16.413  -7.728
  356    HB2  HIS  52          2HB       HIS  52  -4.914 -15.355  -9.319
  357    HB3  HIS  52          1HB       HIS  52  -5.895 -16.684  -9.918
  358    HD1  HIS  52          1HD       HIS  52  -8.263 -16.117 -10.738
  359    HD2  HIS  52          2HD       HIS  52  -6.130 -12.861  -9.315
  360    HE1  HIS  52          1HE       HIS  52  -9.530 -14.071 -11.507
  Start of MODEL   13
    1    H1   ALA   1           H        ALA   1  -6.183 -11.664  -9.328
    2    HA   ALA   1           HA       ALA   1  -4.327  -9.894  -8.881
    3    HB1  ALA   1          1HB       ALA   1  -5.281 -10.351 -11.706
    4    HB2  ALA   1          2HB       ALA   1  -4.262 -11.449 -10.776
    5    HB3  ALA   1          3HB       ALA   1  -3.662  -9.851 -11.218
    6    H    HIS   2           H        HIS   2  -6.708  -8.437  -8.198
    7    HA   HIS   2           HA       HIS   2  -6.520  -6.140 -10.007
    8    HB2  HIS   2          2HB       HIS   2  -8.853  -7.157  -8.406
    9    HB3  HIS   2          1HB       HIS   2  -8.796  -5.521  -9.045
   10    HD1  HIS   2          1HD       HIS   2  -9.560  -9.004  -9.995
   11    HD2  HIS   2          2HD       HIS   2  -8.813  -5.389 -11.887
   12    HE1  HIS   2          1HE       HIS   2 -10.388  -9.278 -12.345
   13    H    CYS   3           H        CYS   3  -6.134  -4.203  -9.179
   14    HA   CYS   3           HA       CYS   3  -5.084  -4.189  -6.465
   15    HB2  CYS   3          2HB       CYS   3  -4.748  -2.243  -8.743
   16    HB3  CYS   3          1HB       CYS   3  -3.921  -2.147  -7.191
   17    H    ASP   4           H        ASP   4  -8.015  -3.948  -7.073
   18    HA   ASP   4           HA       ASP   4  -8.493  -1.250  -5.983
   19    HB2  ASP   4          2HB       ASP   4 -10.768  -1.417  -6.731
   20    HB3  ASP   4          1HB       ASP   4  -9.755  -1.946  -8.063
   21    H    HIS   5           H        HIS   5  -7.932  -4.218  -4.895
   22    HA   HIS   5           HA       HIS   5  -9.962  -4.116  -2.778
   23    HB2  HIS   5          2HB       HIS   5 -10.023  -6.149  -4.156
   24    HB3  HIS   5          1HB       HIS   5  -8.333  -6.461  -3.795
   25    HD1  HIS   5          1HD       HIS   5 -11.782  -6.953  -2.459
   26    HD2  HIS   5          2HD       HIS   5  -7.853  -7.416  -1.205
   27    HE1  HIS   5          1HE       HIS   5 -11.884  -8.408  -0.401
   28    H    PHE   6           H        PHE   6  -9.326  -3.676  -0.801
   29    HA   PHE   6           HA       PHE   6  -6.565  -3.070  -0.253
   30    HB2  PHE   6          2HB       PHE   6  -8.290  -1.541   0.486
   31    HB3  PHE   6          1HB       PHE   6  -9.120  -2.823   1.347
   32    HD1  PHE   6          1HD       PHE   6  -6.178  -0.585   1.365
   33    HD2  PHE   6          2HD       PHE   6  -8.448  -3.464   3.541
   34    HE1  PHE   6          1HE       PHE   6  -5.009   0.035   3.428
   35    HE2  PHE   6          2HE       PHE   6  -7.264  -2.839   5.599
   36    HZ   PHE   6           HZ       PHE   6  -5.551  -1.087   5.544
   37    H    LEU   7           H        LEU   7  -5.212  -4.519   0.531
   38    HA   LEU   7           HA       LEU   7  -6.205  -6.976   1.790
   39    HB2  LEU   7          2HB       LEU   7  -3.439  -6.190   0.885
   40    HB3  LEU   7          1HB       LEU   7  -3.834  -7.725   1.614
   41    HG   LEU   7           HG       LEU   7  -4.820  -6.711  -1.058
   42   HD11  LEU   7          1HD1      LEU   7  -2.472  -7.339  -1.059
   43   HD12  LEU   7          2HD1      LEU   7  -3.435  -8.514  -1.956
   44   HD13  LEU   7          3HD1      LEU   7  -2.872  -8.893  -0.327
   45   HD21  LEU   7          1HD2      LEU   7  -5.789  -8.924  -1.338
   46   HD22  LEU   7          2HD2      LEU   7  -6.483  -8.136   0.084
   47   HD23  LEU   7          3HD2      LEU   7  -5.254  -9.381   0.276
   48    H    GLY   8           H        GLY   8  -3.873  -4.367   2.402
   49    HA2  GLY   8          2HA       GLY   8  -4.385  -4.463   5.188
   50    HA3  GLY   8          1HA       GLY   8  -2.838  -5.195   4.770
   51    H    GLU   9           H        GLU   9  -2.144  -3.380   6.154
   52    HA   GLU   9           HA       GLU   9  -1.767  -0.940   4.560
   53    HB2  GLU   9          2HB       GLU   9  -3.536  -0.636   6.256
   54    HB3  GLU   9          1HB       GLU   9  -2.408  -1.132   7.503
   55    HG2  GLU   9          2HG       GLU   9  -0.999   0.827   6.904
   56    HG3  GLU   9          1HG       GLU   9  -2.282   1.342   5.807
   57    H    ALA  10           H        ALA  10   0.256  -0.027   4.800
   58    HA   ALA  10           HA       ALA  10   2.102  -1.315   6.671
   59    HB1  ALA  10          1HB       ALA  10   3.880  -1.097   5.015
   60    HB2  ALA  10          2HB       ALA  10   2.732  -0.441   3.846
   61    HB3  ALA  10          3HB       ALA  10   2.575  -2.113   4.400
   62    HA   PRO  11           HA       PRO  11   2.900   2.982   7.656
   63    HB2  PRO  11          2HB       PRO  11   4.832   2.604   9.500
   64    HB3  PRO  11          1HB       PRO  11   3.141   2.234   9.846
   65    HG2  PRO  11          2HG       PRO  11   5.386   0.384   9.179
   66    HG3  PRO  11          1HG       PRO  11   4.028   0.137  10.293
   67    HD2  PRO  11          2HD       PRO  11   4.219  -0.870   7.709
   68    HD3  PRO  11          1HD       PRO  11   2.717  -0.697   8.638
   69    H    VAL  12           H        VAL  12   3.927   4.096   6.062
   70    HA   VAL  12           HA       VAL  12   6.772   3.500   5.591
   71    HB   VAL  12           HB       VAL  12   4.790   4.350   3.462
   72   HG11  VAL  12          1HG1      VAL  12   6.584   3.870   1.880
   73   HG12  VAL  12          2HG1      VAL  12   7.653   3.452   3.217
   74   HG13  VAL  12          3HG1      VAL  12   7.075   5.107   3.042
   75   HG21  VAL  12          1HG2      VAL  12   5.045   2.102   2.553
   76   HG22  VAL  12          2HG2      VAL  12   4.330   2.087   4.168
   77   HG23  VAL  12          3HG2      VAL  12   6.030   1.663   3.955
   78    H    TYR  13           H        TYR  13   7.983   5.203   6.098
   79    HA   TYR  13           HA       TYR  13   7.367   7.761   5.079
   80    HB2  TYR  13          2HB       TYR  13   6.064   7.911   7.159
   81    HB3  TYR  13          1HB       TYR  13   7.477   7.429   8.095
   82    HD1  TYR  13          1HD       TYR  13   6.534  10.018   5.566
   83    HD2  TYR  13          2HD       TYR  13   8.650   9.107   9.138
   84    HE1  TYR  13          1HE       TYR  13   7.218  12.357   5.746
   85    HE2  TYR  13          2HE       TYR  13   9.335  11.445   9.337
   86    HH   TYR  13           HH       TYR  13   9.621  13.382   7.952
   87    HA   PRO  14           HA       PRO  14   8.487   9.553   4.400
   88    HB2  PRO  14          2HB       PRO  14   9.990   9.605   2.147
   89    HB3  PRO  14          1HB       PRO  14  10.388  10.520   3.611
   90    HG2  PRO  14          2HG       PRO  14  11.480   7.892   2.666
   91    HG3  PRO  14          1HG       PRO  14  12.354   9.285   3.332
   92    HD2  PRO  14          2HD       PRO  14  11.764   7.130   4.828
   93    HD3  PRO  14          1HD       PRO  14  11.778   8.772   5.503
   94    H    CYS  15           H        CYS  15   7.082   9.452   2.620
   95    HA   CYS  15           HA       CYS  15   6.681   6.715   1.670
   96    HB2  CYS  15          2HB       CYS  15   4.995   7.498   3.335
   97    HB3  CYS  15          1HB       CYS  15   4.566   8.795   2.228
   98    H    LYS  16           H        LYS  16   6.777   6.442  -0.417
   99    HA   LYS  16           HA       LYS  16   6.007   8.529  -2.283
  100    HB2  LYS  16          2HB       LYS  16   8.594   6.933  -2.404
  101    HB3  LYS  16          1HB       LYS  16   7.979   7.930  -3.710
  102    HG2  LYS  16          2HG       LYS  16   8.821   8.934  -0.996
  103    HG3  LYS  16          1HG       LYS  16   9.791   9.008  -2.475
  104    HD2  LYS  16          2HD       LYS  16   8.079  10.428  -3.515
  105    HD3  LYS  16          1HD       LYS  16   7.114  10.332  -2.043
  106    HE2  LYS  16          2HE       LYS  16   9.886  11.520  -2.219
  107    HE3  LYS  16          1HE       LYS  16   8.394  12.450  -2.236
  108    HZ1  LYS  16          1HZ       LYS  16   9.364  12.423  -0.050
  109    HZ2  LYS  16          2HZ       LYS  16   9.411  10.774  -0.002
  110    HZ3  LYS  16          3HZ       LYS  16   7.909  11.572   0.011
  111    H    GLU  17           H        GLU  17   5.882   7.409  -4.530
  112    HA   GLU  17           HA       GLU  17   3.924   5.407  -4.327
  113    HB2  GLU  17          2HB       GLU  17   5.519   6.318  -6.707
  114    HB3  GLU  17          1HB       GLU  17   4.258   5.110  -6.812
  115    HG2  GLU  17          2HG       GLU  17   2.649   6.761  -5.968
  116    HG3  GLU  17          1HG       GLU  17   3.936   7.970  -5.951
  117    H    LYS  18           H        LYS  18   7.176   5.119  -5.583
  118    HA   LYS  18           HA       LYS  18   7.018   2.355  -6.063
  119    HB2  LYS  18          2HB       LYS  18   9.458   4.088  -5.670
  120    HB3  LYS  18          1HB       LYS  18   9.487   2.444  -6.292
  121    HG2  LYS  18          2HG       LYS  18   8.150   3.129  -8.205
  122    HG3  LYS  18          1HG       LYS  18   8.070   4.773  -7.577
  123    HD2  LYS  18          2HD       LYS  18  10.517   4.937  -7.742
  124    HD3  LYS  18          1HD       LYS  18  10.572   3.298  -8.396
  125    HE2  LYS  18          2HE       LYS  18   9.188   4.026 -10.290
  126    HE3  LYS  18          1HE       LYS  18   9.163   5.659  -9.634
  127    HZ1  LYS  18          1HZ       LYS  18  11.587   4.195 -10.543
  128    HZ2  LYS  18          2HZ       LYS  18  11.565   5.773  -9.919
  129    HZ3  LYS  18          3HZ       LYS  18  10.808   5.442 -11.364
  130    H    ALA  19           H        ALA  19   8.119   4.160  -3.281
  131    HA   ALA  19           HA       ALA  19   9.161   2.023  -1.782
  132    HB1  ALA  19          1HB       ALA  19   8.843   3.470   0.172
  133    HB2  ALA  19          2HB       ALA  19   7.856   4.564  -0.799
  134    HB3  ALA  19          3HB       ALA  19   9.569   4.355  -1.169
  135    H    CYS  20           H        CYS  20   5.947   3.531  -1.752
  136    HA   CYS  20           HA       CYS  20   4.811   1.859   0.190
  137    HB2  CYS  20          2HB       CYS  20   3.900   4.070  -0.496
  138    HB3  CYS  20          1HB       CYS  20   3.463   3.395  -2.055
  139    H    LYS  21           H        LYS  21   4.803   1.680  -3.365
  140    HA   LYS  21           HA       LYS  21   3.177  -0.606  -3.556
  141    HB2  LYS  21          2HB       LYS  21   3.672   0.955  -5.424
  142    HB3  LYS  21          1HB       LYS  21   5.310   0.317  -5.472
  143    HG2  LYS  21          2HG       LYS  21   4.414  -1.907  -6.007
  144    HG3  LYS  21          1HG       LYS  21   2.787  -1.232  -5.984
  145    HD2  LYS  21          2HD       LYS  21   3.488  -1.367  -8.265
  146    HD3  LYS  21          1HD       LYS  21   3.490   0.328  -7.796
  147    HE2  LYS  21          2HE       LYS  21   5.912   0.229  -7.433
  148    HE3  LYS  21          1HE       LYS  21   5.913  -1.470  -7.903
  149    HZ1  LYS  21          1HZ       LYS  21   6.577  -0.101  -9.743
  150    HZ2  LYS  21          2HZ       LYS  21   5.211   0.849  -9.586
  151    HZ3  LYS  21          3HZ       LYS  21   5.055  -0.743 -10.096
  152    H    SER  22           H        SER  22   6.668  -0.205  -3.196
  153    HA   SER  22           HA       SER  22   7.357  -2.879  -3.719
  154    HB2  SER  22          2HB       SER  22   8.973  -0.971  -3.749
  155    HB3  SER  22          1HB       SER  22   8.859  -0.898  -1.994
  156    HG   SER  22           HG       SER  22   9.680  -3.098  -1.947
  157    H    VAL  23           H        VAL  23   7.014  -1.131  -0.484
  158    HA   VAL  23           HA       VAL  23   7.537  -3.370   0.909
  159    HB   VAL  23           HB       VAL  23   6.742  -2.119   2.741
  160   HG11  VAL  23          1HG1      VAL  23   8.448  -0.492   0.879
  161   HG12  VAL  23          2HG1      VAL  23   8.999  -1.712   2.027
  162   HG13  VAL  23          3HG1      VAL  23   8.305  -0.201   2.612
  163   HG21  VAL  23          1HG2      VAL  23   5.863  -0.031   0.776
  164   HG22  VAL  23          2HG2      VAL  23   5.912   0.169   2.531
  165   HG23  VAL  23          3HG2      VAL  23   4.820  -1.011   1.808
  166    H    CYS  24           H        CYS  24   4.480  -2.077  -0.363
  167    HA   CYS  24           HA       CYS  24   2.852  -3.744   1.146
  168    HB2  CYS  24          2HB       CYS  24   2.466  -2.390  -1.484
  169    HB3  CYS  24          1HB       CYS  24   1.250  -3.515  -0.879
  170    H    LYS  25           H        LYS  25   4.697  -4.448  -1.708
  171    HA   LYS  25           HA       LYS  25   3.470  -7.048  -1.962
  172    HB2  LYS  25          2HB       LYS  25   5.734  -5.749  -3.478
  173    HB3  LYS  25          1HB       LYS  25   5.148  -7.386  -3.760
  174    HG2  LYS  25          2HG       LYS  25   2.958  -6.535  -4.350
  175    HG3  LYS  25          1HG       LYS  25   3.494  -4.894  -4.021
  176    HD2  LYS  25          2HD       LYS  25   3.449  -5.360  -6.426
  177    HD3  LYS  25          1HD       LYS  25   5.077  -5.015  -5.880
  178    HE2  LYS  25          2HE       LYS  25   4.056  -7.842  -6.198
  179    HE3  LYS  25          1HE       LYS  25   4.731  -6.951  -7.553
  180    HZ1  LYS  25          1HZ       LYS  25   6.805  -6.730  -6.287
  181    HZ2  LYS  25          2HZ       LYS  25   6.424  -8.328  -6.566
  182    HZ3  LYS  25          3HZ       LYS  25   6.200  -7.683  -5.039
  183    H    GLU  26           H        GLU  26   5.846  -5.702  -0.097
  184    HA   GLU  26           HA       GLU  26   7.298  -8.203   0.189
  185    HB2  GLU  26          2HB       GLU  26   7.816  -5.456   1.329
  186    HB3  GLU  26          1HB       GLU  26   8.805  -6.869   1.679
  187    HG2  GLU  26          2HG       GLU  26   9.390  -7.096  -0.648
  188    HG3  GLU  26          1HG       GLU  26   8.321  -5.765  -1.073
  189    H    HIS  27           H        HIS  27   5.251  -6.021   2.058
  190    HA   HIS  27           HA       HIS  27   5.155  -7.707   4.366
  191    HB2  HIS  27          2HB       HIS  27   3.251  -5.551   3.386
  192    HB3  HIS  27          1HB       HIS  27   2.983  -6.446   4.867
  193    HD1  HIS  27          1HD       HIS  27   3.978  -5.403   6.948
  194    HD2  HIS  27          2HD       HIS  27   5.666  -3.946   3.453
  195    HE1  HIS  27          1HE       HIS  27   5.468  -3.492   7.640
  196    H    TYR  28           H        TYR  28   3.166  -7.289   1.484
  197    HA   TYR  28           HA       TYR  28   1.899  -9.872   2.045
  198    HB2  TYR  28          2HB       TYR  28   0.638  -7.533   0.576
  199    HB3  TYR  28          1HB       TYR  28  -0.142  -9.048   1.008
  200    HD1  TYR  28          1HD       TYR  28  -0.850  -9.450   3.338
  201    HD2  TYR  28          2HD       TYR  28   0.944  -5.770   2.175
  202    HE1  TYR  28          1HE       TYR  28  -1.596  -8.424   5.428
  203    HE2  TYR  28          2HE       TYR  28   0.208  -4.736   4.264
  204    HH   TYR  28           HH       TYR  28  -0.977  -6.578   6.857
  205    H    HIS  29           H        HIS  29   3.169 -11.096   0.700
  206    HA   HIS  29           HA       HIS  29   4.213 -10.150  -1.762
  207    HB2  HIS  29          2HB       HIS  29   3.936 -12.986  -0.771
  208    HB3  HIS  29          1HB       HIS  29   4.827 -12.524  -2.208
  209    HD1  HIS  29          1HD       HIS  29   6.412 -10.093  -1.047
  210    HD2  HIS  29          2HD       HIS  29   5.872 -13.716   0.903
  211    HE1  HIS  29          1HE       HIS  29   8.323 -10.299   0.569
  212    H    HIS  30           H        HIS  30   1.170 -10.854  -1.065
  213    HA   HIS  30           HA       HIS  30   0.473 -12.043  -3.643
  214    HB2  HIS  30          2HB       HIS  30  -1.354 -11.364  -1.328
  215    HB3  HIS  30          1HB       HIS  30  -1.732 -12.364  -2.717
  216    HD1  HIS  30          1HD       HIS  30  -0.872 -14.966  -2.578
  217    HD2  HIS  30          2HD       HIS  30   0.129 -12.556   0.692
  218    HE1  HIS  30          1HE       HIS  30  -0.207 -16.493  -0.781
  219    H    ALA  31           H        ALA  31   0.919  -9.016  -2.269
  220    HA   ALA  31           HA       ALA  31  -1.381  -7.661  -3.341
  221    HB1  ALA  31          1HB       ALA  31  -0.341  -5.634  -2.478
  222    HB2  ALA  31          2HB       ALA  31   1.143  -6.525  -2.138
  223    HB3  ALA  31          3HB       ALA  31  -0.335  -6.903  -1.255
  224    H    CYS  32           H        CYS  32  -1.135  -5.803  -4.782
  225    HA   CYS  32           HA       CYS  32   0.915  -6.336  -6.815
  226    HB2  CYS  32          2HB       CYS  32  -0.750  -5.545  -8.490
  227    HB3  CYS  32          1HB       CYS  32  -1.205  -7.027  -7.655
  228    H    LYS  33           H        LYS  33  -1.027  -3.813  -5.233
  229    HA   LYS  33           HA       LYS  33   1.016  -1.890  -5.986
  230    HB2  LYS  33          2HB       LYS  33  -0.691  -1.740  -7.750
  231    HB3  LYS  33          1HB       LYS  33  -1.931  -1.500  -6.530
  232    HG2  LYS  33          2HG       LYS  33  -0.797   0.588  -5.846
  233    HG3  LYS  33          1HG       LYS  33   0.348   0.360  -7.163
  234    HD2  LYS  33          2HD       LYS  33  -1.439   0.527  -8.788
  235    HD3  LYS  33          1HD       LYS  33  -2.635   0.623  -7.491
  236    HE2  LYS  33          2HE       LYS  33  -0.426   2.615  -7.991
  237    HE3  LYS  33          1HE       LYS  33  -2.122   2.841  -8.416
  238    HZ1  LYS  33          1HZ       LYS  33  -1.023   2.535  -5.655
  239    HZ2  LYS  33          2HZ       LYS  33  -2.666   2.671  -6.044
  240    HZ3  LYS  33          3HZ       LYS  33  -1.641   3.948  -6.328
  241    H    GLY  34           H        GLY  34   1.161  -0.143  -4.587
  242    HA2  GLY  34          2HA       GLY  34  -0.567  -0.251  -2.218
  243    HA3  GLY  34          1HA       GLY  34   1.128   0.255  -2.183
  244    H    GLU  35           H        GLU  35  -0.881   1.963  -1.268
  245    HA   GLU  35           HA       GLU  35  -0.300   4.171  -3.017
  246    HB2  GLU  35          2HB       GLU  35  -2.499   3.283  -3.858
  247    HB3  GLU  35          1HB       GLU  35  -3.176   3.675  -2.274
  248    HG2  GLU  35          2HG       GLU  35  -3.657   5.373  -3.994
  249    HG3  GLU  35          1HG       GLU  35  -2.775   6.001  -2.603
  250    H    CYS  36           H        CYS  36   0.061   5.902  -1.963
  251    HA   CYS  36           HA       CYS  36  -0.014   5.851   0.936
  252    HB2  CYS  36          2HB       CYS  36   1.989   6.385  -0.585
  253    HB3  CYS  36          1HB       CYS  36   1.171   7.899  -0.925
  254    H    GLU  37           H        GLU  37  -1.948   6.564   1.726
  255    HA   GLU  37           HA       GLU  37  -3.319   8.855   0.410
  256    HB2  GLU  37          2HB       GLU  37  -4.531   6.351   1.575
  257    HB3  GLU  37          1HB       GLU  37  -5.449   7.755   1.071
  258    HG2  GLU  37          2HG       GLU  37  -3.688   6.178  -0.771
  259    HG3  GLU  37          1HG       GLU  37  -5.398   5.831  -0.530
  260    H    TYR  38           H        TYR  38  -4.025  10.441   1.802
  261    HA   TYR  38           HA       TYR  38  -3.659  10.038   4.647
  262    HB2  TYR  38          2HB       TYR  38  -4.564  12.465   3.053
  263    HB3  TYR  38          1HB       TYR  38  -4.443  12.429   4.803
  264    HD1  TYR  38          1HD       TYR  38  -2.354  12.651   5.900
  265    HD2  TYR  38          2HD       TYR  38  -2.474  12.306   1.671
  266    HE1  TYR  38          1HE       TYR  38   0.014  13.305   5.781
  267    HE2  TYR  38          2HE       TYR  38  -0.122  12.946   1.533
  268    HH   TYR  38           HH       TYR  38   1.529  14.229   2.934
  269    H    HIS  39           H        HIS  39  -5.100   8.895   5.577
  270    HA   HIS  39           HA       HIS  39  -7.902   9.265   4.796
  271    HB2  HIS  39          2HB       HIS  39  -6.966   7.212   3.757
  272    HB3  HIS  39          1HB       HIS  39  -6.547   6.613   5.354
  273    HD1  HIS  39          1HD       HIS  39  -9.524   7.153   3.076
  274    HD2  HIS  39          2HD       HIS  39  -8.631   5.521   6.796
  275    HE1  HIS  39          1HE       HIS  39 -11.537   5.825   3.745
  276    H    GLY  40           H        GLY  40  -8.997   9.956   6.461
  277    HA2  GLY  40          2HA       GLY  40  -9.947   9.801   8.571
  278    HA3  GLY  40          1HA       GLY  40  -8.674   8.675   9.039
  279    H    ARG  41           H        ARG  41  -6.480   9.634   9.168
  280    HA   ARG  41           HA       ARG  41  -6.605  12.418  10.097
  281    HB2  ARG  41          2HB       ARG  41  -5.117  10.206  11.540
  282    HB3  ARG  41          1HB       ARG  41  -5.143  11.900  11.982
  283    HG2  ARG  41          2HG       ARG  41  -7.524  11.767  12.450
  284    HG3  ARG  41          1HG       ARG  41  -7.528  10.077  11.962
  285    HD2  ARG  41          2HD       ARG  41  -5.968   9.550  13.767
  286    HD3  ARG  41          1HD       ARG  41  -5.965  11.246  14.258
  287    HE   ARG  41           HE       ARG  41  -8.585  10.492  14.198
  288   HH11  ARG  41          1HH1      ARG  41  -5.729   9.433  15.994
  289   HH12  ARG  41          2HH1      ARG  41  -6.602   8.939  17.366
  290   HH21  ARG  41          1HH2      ARG  41  -9.759   9.850  16.083
  291   HH22  ARG  41          2HH2      ARG  41  -8.947   9.193  17.434
  292    H    GLU  42           H        GLU  42  -4.210   9.841   9.707
  293    HA   GLU  42           HA       GLU  42  -2.410  11.800   8.466
  294    HB2  GLU  42          2HB       GLU  42  -0.598  10.315   9.259
  295    HB3  GLU  42          1HB       GLU  42  -1.592  10.929  10.572
  296    HG2  GLU  42          2HG       GLU  42  -2.842   8.782  10.513
  297    HG3  GLU  42          1HG       GLU  42  -1.646   8.180   9.367
  298    H    VAL  43           H        VAL  43  -0.592  10.252   7.293
  299    HA   VAL  43           HA       VAL  43  -2.074   9.122   5.071
  300    HB   VAL  43           HB       VAL  43  -0.174  10.744   4.744
  301   HG11  VAL  43          1HG1      VAL  43   1.539   8.420   5.514
  302   HG12  VAL  43          2HG1      VAL  43   1.391   9.949   6.389
  303   HG13  VAL  43          3HG1      VAL  43   2.120   9.911   4.774
  304   HG21  VAL  43          1HG2      VAL  43  -0.973   9.420   2.904
  305   HG22  VAL  43          2HG2      VAL  43   0.062   8.077   3.387
  306   HG23  VAL  43          3HG2      VAL  43   0.781   9.577   2.808
  307    H    HIS  44           H        HIS  44  -2.048   7.064   4.431
  308    HA   HIS  44           HA       HIS  44  -0.506   5.114   6.022
  309    HB2  HIS  44          2HB       HIS  44  -3.254   4.635   4.843
  310    HB3  HIS  44          1HB       HIS  44  -2.335   3.552   5.862
  311    HD1  HIS  44          1HD       HIS  44  -5.288   4.719   6.262
  312    HD2  HIS  44          2HD       HIS  44  -1.849   5.798   8.304
  313    HE1  HIS  44          1HE       HIS  44  -6.073   5.653   8.477
  314    H    CYS  45           H        CYS  45   0.364   3.458   4.757
  315    HA   CYS  45           HA       CYS  45   0.089   3.726   1.881
  316    HB2  CYS  45          2HB       CYS  45   2.374   3.547   2.734
  317    HB3  CYS  45          1HB       CYS  45   1.957   2.101   3.638
  318    H    HIS  46           H        HIS  46  -1.726   2.796   1.244
  319    HA   HIS  46           HA       HIS  46  -2.780   0.464   2.590
  320    HB2  HIS  46          2HB       HIS  46  -3.824   2.023   0.219
  321    HB3  HIS  46          1HB       HIS  46  -4.682   0.739   1.048
  322    HD1  HIS  46          1HD       HIS  46  -5.433   3.913   0.713
  323    HD2  HIS  46          2HD       HIS  46  -4.162   1.927   4.135
  324    HE1  HIS  46          1HE       HIS  46  -6.348   5.225   2.668
  325    H    CYS  47           H        CYS  47  -2.568  -1.545   1.859
  326    HA   CYS  47           HA       CYS  47  -1.091  -1.943  -0.626
  327    HB2  CYS  47          2HB       CYS  47  -1.654  -3.841   1.656
  328    HB3  CYS  47          1HB       CYS  47  -0.569  -4.130   0.300
  329    H    TYR  48           H        TYR  48  -2.120  -2.701  -2.375
  330    HA   TYR  48           HA       TYR  48  -4.829  -3.793  -2.032
  331    HB2  TYR  48          2HB       TYR  48  -3.646  -2.401  -4.426
  332    HB3  TYR  48          1HB       TYR  48  -5.306  -2.943  -4.237
  333    HD1  TYR  48          1HD       TYR  48  -6.786  -1.784  -2.609
  334    HD2  TYR  48          2HD       TYR  48  -2.905  -0.369  -3.568
  335    HE1  TYR  48          1HE       TYR  48  -7.373   0.403  -1.693
  336    HE2  TYR  48          2HE       TYR  48  -3.457   1.810  -2.655
  337    HH   TYR  48           HH       TYR  48  -5.560   3.138  -2.289
  338    H    GLY  49           H        GLY  49  -5.440  -5.505  -3.329
  339    HA2  GLY  49          2HA       GLY  49  -4.365  -6.631  -5.481
  340    HA3  GLY  49          1HA       GLY  49  -3.313  -7.234  -4.203
  341    H    ASP  50           H        ASP  50  -3.977  -9.322  -4.480
  342    HA   ASP  50           HA       ASP  50  -6.562 -10.001  -3.289
  343    HB2  ASP  50          2HB       ASP  50  -5.407 -11.230  -5.820
  344    HB3  ASP  50          1HB       ASP  50  -6.701 -11.920  -4.865
  345    H    TYR  51           H        TYR  51  -6.373 -12.090  -2.260
  346    HA   TYR  51           HA       TYR  51  -3.643 -12.788  -1.736
  347    HB2  TYR  51          2HB       TYR  51  -6.227 -14.053  -0.770
  348    HB3  TYR  51          1HB       TYR  51  -4.623 -14.600  -0.290
  349    HD1  TYR  51          1HD       TYR  51  -3.074 -12.819   0.793
  350    HD2  TYR  51          2HD       TYR  51  -7.291 -12.404   0.489
  351    HE1  TYR  51          1HE       TYR  51  -3.036 -11.149   2.600
  352    HE2  TYR  51          2HE       TYR  51  -7.266 -10.742   2.289
  353    HH   TYR  51           HH       TYR  51  -5.853 -10.043   4.166
  354    H    HIS  52           H        HIS  52  -2.594 -13.799  -3.149
  355    HA   HIS  52           HA       HIS  52  -3.892 -15.599  -5.046
  356    HB2  HIS  52          2HB       HIS  52  -1.148 -14.308  -5.044
  357    HB3  HIS  52          1HB       HIS  52  -1.718 -15.411  -6.285
  358    HD1  HIS  52          1HD       HIS  52  -1.829 -11.801  -5.248
  359    HD2  HIS  52          2HD       HIS  52  -3.705 -14.328  -7.978
  360    HE1  HIS  52          1HE       HIS  52  -2.884 -10.315  -6.926
  Start of MODEL   14
    1    H1   ALA   1           H        ALA   1  -8.263  -8.084 -14.106
    2    HA   ALA   1           HA       ALA   1  -5.989  -7.937 -14.221
    3    HB1  ALA   1          1HB       ALA   1  -5.169  -6.608 -16.080
    4    HB2  ALA   1          2HB       ALA   1  -6.670  -5.686 -16.105
    5    HB3  ALA   1          3HB       ALA   1  -6.684  -7.403 -16.508
    6    H    HIS   2           H        HIS   2  -7.591  -5.522 -12.603
    7    HA   HIS   2           HA       HIS   2  -5.174  -3.961 -12.126
    8    HB2  HIS   2          2HB       HIS   2  -7.348  -2.800 -12.694
    9    HB3  HIS   2          1HB       HIS   2  -8.045  -3.496 -11.244
   10    HD1  HIS   2          1HD       HIS   2  -6.519  -0.470 -12.419
   11    HD2  HIS   2          2HD       HIS   2  -6.536  -2.537  -8.820
   12    HE1  HIS   2          1HE       HIS   2  -5.853   1.196 -10.654
   13    H    CYS   3           H        CYS   3  -4.122  -4.283 -10.216
   14    HA   CYS   3           HA       CYS   3  -5.035  -6.263  -8.373
   15    HB2  CYS   3          2HB       CYS   3  -2.826  -4.207  -8.054
   16    HB3  CYS   3          1HB       CYS   3  -3.048  -5.670  -7.094
   17    H    ASP   4           H        ASP   4  -6.905  -5.693  -7.487
   18    HA   ASP   4           HA       ASP   4  -7.210  -2.931  -6.507
   19    HB2  ASP   4          2HB       ASP   4  -8.532  -3.449  -8.506
   20    HB3  ASP   4          1HB       ASP   4  -9.291  -4.782  -7.659
   21    H    HIS   5           H        HIS   5  -7.304  -6.248  -5.541
   22    HA   HIS   5           HA       HIS   5  -9.249  -5.769  -3.491
   23    HB2  HIS   5          2HB       HIS   5  -8.931  -8.040  -4.550
   24    HB3  HIS   5          1HB       HIS   5  -7.390  -8.157  -3.706
   25    HD1  HIS   5          1HD       HIS   5 -11.004  -8.721  -3.256
   26    HD2  HIS   5          2HD       HIS   5  -7.659  -8.265  -0.833
   27    HE1  HIS   5          1HE       HIS   5 -11.695  -9.505  -0.962
   28    H    PHE   6           H        PHE   6  -8.878  -4.683  -1.772
   29    HA   PHE   6           HA       PHE   6  -6.327  -3.913  -0.839
   30    HB2  PHE   6          2HB       PHE   6  -8.165  -2.430  -0.474
   31    HB3  PHE   6          1HB       PHE   6  -9.128  -3.691   0.268
   32    HD1  PHE   6          1HD       PHE   6  -6.348  -1.323   0.795
   33    HD2  PHE   6          2HD       PHE   6  -8.914  -4.226   2.572
   34    HE1  PHE   6          1HE       PHE   6  -5.684  -0.563   3.031
   35    HE2  PHE   6          2HE       PHE   6  -8.244  -3.467   4.800
   36    HZ   PHE   6           HZ       PHE   6  -6.647  -1.640   5.040
   37    H    LEU   7           H        LEU   7  -4.995  -5.113   0.249
   38    HA   LEU   7           HA       LEU   7  -5.930  -7.492   1.640
   39    HB2  LEU   7          2HB       LEU   7  -3.134  -6.492   1.122
   40    HB3  LEU   7          1HB       LEU   7  -3.548  -8.032   1.843
   41    HG   LEU   7           HG       LEU   7  -4.185  -7.211  -0.993
   42   HD11  LEU   7          1HD1      LEU   7  -1.808  -7.512  -0.629
   43   HD12  LEU   7          2HD1      LEU   7  -2.466  -8.833  -1.596
   44   HD13  LEU   7          3HD1      LEU   7  -2.107  -9.083   0.112
   45   HD21  LEU   7          1HD2      LEU   7  -4.489  -9.869   0.408
   46   HD22  LEU   7          2HD2      LEU   7  -4.799  -9.558  -1.300
   47   HD23  LEU   7          3HD2      LEU   7  -5.810  -8.805  -0.069
   48    H    GLY   8           H        GLY   8  -3.806  -4.684   2.311
   49    HA2  GLY   8          2HA       GLY   8  -4.828  -4.493   4.971
   50    HA3  GLY   8          1HA       GLY   8  -3.224  -5.194   4.903
   51    H    GLU   9           H        GLU   9  -2.797  -3.290   6.211
   52    HA   GLU   9           HA       GLU   9  -2.280  -0.864   4.604
   53    HB2  GLU   9          2HB       GLU   9  -3.093  -1.060   7.503
   54    HB3  GLU   9          1HB       GLU   9  -2.664   0.423   6.665
   55    HG2  GLU   9          2HG       GLU   9  -4.572   0.341   5.320
   56    HG3  GLU   9          1HG       GLU   9  -4.860  -1.349   5.739
   57    H    ALA  10           H        ALA  10  -0.229  -0.384   4.529
   58    HA   ALA  10           HA       ALA  10   1.588  -1.458   6.568
   59    HB1  ALA  10          1HB       ALA  10   3.365  -1.176   4.897
   60    HB2  ALA  10          2HB       ALA  10   2.192  -0.518   3.755
   61    HB3  ALA  10          3HB       ALA  10   2.067  -2.198   4.279
   62    HA   PRO  11           HA       PRO  11   2.436   2.838   7.530
   63    HB2  PRO  11          2HB       PRO  11   4.565   2.498   9.182
   64    HB3  PRO  11          1HB       PRO  11   2.914   2.119   9.678
   65    HG2  PRO  11          2HG       PRO  11   5.133   0.296   8.966
   66    HG3  PRO  11          1HG       PRO  11   3.737   0.008  10.012
   67    HD2  PRO  11          2HD       PRO  11   4.076  -0.833   7.320
   68    HD3  PRO  11          1HD       PRO  11   2.615  -0.966   8.313
   69    H    VAL  12           H        VAL  12   3.306   4.080   5.949
   70    HA   VAL  12           HA       VAL  12   6.120   3.758   5.191
   71    HB   VAL  12           HB       VAL  12   3.893   4.114   3.153
   72   HG11  VAL  12          1HG1      VAL  12   5.634   3.845   1.467
   73   HG12  VAL  12          2HG1      VAL  12   6.844   3.689   2.736
   74   HG13  VAL  12          3HG1      VAL  12   5.983   5.213   2.531
   75   HG21  VAL  12          1HG2      VAL  12   3.881   1.830   3.996
   76   HG22  VAL  12          2HG2      VAL  12   5.605   1.689   3.649
   77   HG23  VAL  12          3HG2      VAL  12   4.452   1.880   2.329
   78    H    TYR  13           H        TYR  13   6.933   5.741   5.720
   79    HA   TYR  13           HA       TYR  13   5.591   8.043   4.609
   80    HB2  TYR  13          2HB       TYR  13   4.715   7.942   6.916
   81    HB3  TYR  13          1HB       TYR  13   6.359   7.908   7.545
   82    HD1  TYR  13          1HD       TYR  13   7.523   9.919   7.960
   83    HD2  TYR  13          2HD       TYR  13   3.961  10.017   5.629
   84    HE1  TYR  13          1HE       TYR  13   7.576  12.365   7.985
   85    HE2  TYR  13          2HE       TYR  13   4.013  12.475   5.654
   86    HH   TYR  13           HH       TYR  13   4.979  14.303   7.009
   87    HA   PRO  14           HA       PRO  14   5.955   9.986   3.891
   88    HB2  PRO  14          2HB       PRO  14   7.618  10.501   1.518
   89    HB3  PRO  14          1HB       PRO  14   6.840  11.666   2.596
   90    HG2  PRO  14          2HG       PRO  14   9.500  11.351   2.552
   91    HG3  PRO  14          1HG       PRO  14   8.630  11.692   4.059
   92    HD2  PRO  14          2HD       PRO  14   9.646   9.068   3.020
   93    HD3  PRO  14          1HD       PRO  14   9.775   9.755   4.655
   94    H    CYS  15           H        CYS  15   4.424   9.287   2.358
   95    HA   CYS  15           HA       CYS  15   5.128   6.691   1.255
   96    HB2  CYS  15          2HB       CYS  15   3.170   6.962   2.824
   97    HB3  CYS  15          1HB       CYS  15   2.384   7.894   1.555
   98    H    LYS  16           H        LYS  16   5.085   6.274  -0.863
   99    HA   LYS  16           HA       LYS  16   4.127   8.291  -2.728
  100    HB2  LYS  16          2HB       LYS  16   6.700   8.164  -2.155
  101    HB3  LYS  16          1HB       LYS  16   6.642   6.717  -3.141
  102    HG2  LYS  16          2HG       LYS  16   7.385   8.590  -4.449
  103    HG3  LYS  16          1HG       LYS  16   5.790   8.059  -5.004
  104    HD2  LYS  16          2HD       LYS  16   4.703   9.826  -3.944
  105    HD3  LYS  16          1HD       LYS  16   6.124  10.227  -2.991
  106    HE2  LYS  16          2HE       LYS  16   5.745  11.836  -4.840
  107    HE3  LYS  16          1HE       LYS  16   7.294  11.017  -4.966
  108    HZ1  LYS  16          1HZ       LYS  16   6.225  11.164  -7.091
  109    HZ2  LYS  16          2HZ       LYS  16   4.842  10.400  -6.554
  110    HZ3  LYS  16          3HZ       LYS  16   6.296   9.545  -6.667
  111    H    GLU  17           H        GLU  17   3.584   7.174  -4.817
  112    HA   GLU  17           HA       GLU  17   2.103   4.930  -4.680
  113    HB2  GLU  17          2HB       GLU  17   2.108   6.572  -6.474
  114    HB3  GLU  17          1HB       GLU  17   3.695   6.035  -6.982
  115    HG2  GLU  17          2HG       GLU  17   2.111   5.177  -8.479
  116    HG3  GLU  17          1HG       GLU  17   2.726   3.844  -7.494
  117    H    LYS  18           H        LYS  18   5.479   5.092  -5.824
  118    HA   LYS  18           HA       LYS  18   5.616   2.261  -6.160
  119    HB2  LYS  18          2HB       LYS  18   6.911   3.886  -7.546
  120    HB3  LYS  18          1HB       LYS  18   7.899   4.234  -6.138
  121    HG2  LYS  18          2HG       LYS  18   8.684   1.944  -6.087
  122    HG3  LYS  18          1HG       LYS  18   7.639   1.539  -7.447
  123    HD2  LYS  18          2HD       LYS  18   8.852   3.225  -8.810
  124    HD3  LYS  18          1HD       LYS  18   9.955   3.469  -7.454
  125    HE2  LYS  18          2HE       LYS  18  10.904   1.928  -9.096
  126    HE3  LYS  18          1HE       LYS  18  10.606   1.115  -7.559
  127    HZ1  LYS  18          1HZ       LYS  18   8.614   0.138  -8.476
  128    HZ2  LYS  18          2HZ       LYS  18   9.902  -0.186  -9.512
  129    HZ3  LYS  18          3HZ       LYS  18   8.794   1.001  -9.908
  130    H    ALA  19           H        ALA  19   6.647   4.514  -3.688
  131    HA   ALA  19           HA       ALA  19   8.232   2.758  -2.162
  132    HB1  ALA  19          1HB       ALA  19   8.238   5.183  -1.768
  133    HB2  ALA  19          2HB       ALA  19   7.876   4.300  -0.288
  134    HB3  ALA  19          3HB       ALA  19   6.578   5.088  -1.182
  135    H    CYS  20           H        CYS  20   4.798   3.541  -1.992
  136    HA   CYS  20           HA       CYS  20   4.133   1.902   0.184
  137    HB2  CYS  20          2HB       CYS  20   2.724   3.744  -0.838
  138    HB3  CYS  20          1HB       CYS  20   2.393   2.673  -2.185
  139    H    LYS  21           H        LYS  21   4.072   1.349  -3.316
  140    HA   LYS  21           HA       LYS  21   3.156  -1.274  -3.493
  141    HB2  LYS  21          2HB       LYS  21   3.618   0.291  -5.378
  142    HB3  LYS  21          1HB       LYS  21   5.325   0.052  -5.114
  143    HG2  LYS  21          2HG       LYS  21   5.048  -2.344  -5.671
  144    HG3  LYS  21          1HG       LYS  21   3.352  -2.022  -6.053
  145    HD2  LYS  21          2HD       LYS  21   4.065  -0.366  -7.737
  146    HD3  LYS  21          1HD       LYS  21   5.745  -0.732  -7.373
  147    HE2  LYS  21          2HE       LYS  21   5.116  -1.914  -9.368
  148    HE3  LYS  21          1HE       LYS  21   5.330  -3.080  -8.066
  149    HZ1  LYS  21          1HZ       LYS  21   3.368  -3.560  -9.359
  150    HZ2  LYS  21          2HZ       LYS  21   2.732  -2.038  -9.058
  151    HZ3  LYS  21          3HZ       LYS  21   2.912  -3.142  -7.796
  152    H    SER  22           H        SER  22   6.437  -0.055  -3.083
  153    HA   SER  22           HA       SER  22   7.752  -2.538  -3.174
  154    HB2  SER  22          2HB       SER  22   8.691  -0.211  -3.647
  155    HB3  SER  22          1HB       SER  22   8.772   0.011  -1.905
  156    HG   SER  22           HG       SER  22  10.369  -1.365  -1.770
  157    H    VAL  23           H        VAL  23   6.746  -0.455  -0.429
  158    HA   VAL  23           HA       VAL  23   7.835  -2.229   1.512
  159    HB   VAL  23           HB       VAL  23   5.841   0.038   1.892
  160   HG11  VAL  23          1HG1      VAL  23   5.730  -1.438   3.779
  161   HG12  VAL  23          2HG1      VAL  23   6.629   0.006   4.258
  162   HG13  VAL  23          3HG1      VAL  23   7.486  -1.492   3.901
  163   HG21  VAL  23          1HG2      VAL  23   8.836  -0.021   2.255
  164   HG22  VAL  23          2HG2      VAL  23   7.782   1.341   2.636
  165   HG23  VAL  23          3HG2      VAL  23   7.961   0.803   0.965
  166    H    CYS  24           H        CYS  24   4.665  -1.875   0.033
  167    HA   CYS  24           HA       CYS  24   3.288  -3.643   1.664
  168    HB2  CYS  24          2HB       CYS  24   2.937  -2.948  -1.238
  169    HB3  CYS  24          1HB       CYS  24   1.895  -4.116  -0.431
  170    H    LYS  25           H        LYS  25   5.676  -4.297  -0.780
  171    HA   LYS  25           HA       LYS  25   5.059  -7.116  -0.836
  172    HB2  LYS  25          2HB       LYS  25   7.370  -5.555  -1.971
  173    HB3  LYS  25          1HB       LYS  25   7.225  -7.298  -2.108
  174    HG2  LYS  25          2HG       LYS  25   5.299  -5.261  -3.219
  175    HG3  LYS  25          1HG       LYS  25   6.491  -6.173  -4.141
  176    HD2  LYS  25          2HD       LYS  25   4.153  -7.356  -2.622
  177    HD3  LYS  25          1HD       LYS  25   4.238  -7.122  -4.358
  178    HE2  LYS  25          2HE       LYS  25   6.056  -8.924  -2.736
  179    HE3  LYS  25          1HE       LYS  25   4.686  -9.454  -3.697
  180    HZ1  LYS  25          1HZ       LYS  25   5.824  -8.634  -5.692
  181    HZ2  LYS  25          2HZ       LYS  25   6.735  -9.778  -4.894
  182    HZ3  LYS  25          3HZ       LYS  25   7.152  -8.163  -4.758
  183    H    GLU  26           H        GLU  26   6.775  -5.084   1.211
  184    HA   GLU  26           HA       GLU  26   8.541  -7.159   2.176
  185    HB2  GLU  26          2HB       GLU  26   7.974  -4.413   3.312
  186    HB3  GLU  26          1HB       GLU  26   9.297  -5.477   3.779
  187    HG2  GLU  26          2HG       GLU  26  10.186  -5.333   1.505
  188    HG3  GLU  26          1HG       GLU  26   8.898  -4.214   1.081
  189    H    HIS  27           H        HIS  27   5.560  -5.581   3.005
  190    HA   HIS  27           HA       HIS  27   5.293  -7.188   5.405
  191    HB2  HIS  27          2HB       HIS  27   3.379  -5.199   4.170
  192    HB3  HIS  27          1HB       HIS  27   3.038  -6.099   5.640
  193    HD1  HIS  27          1HD       HIS  27   4.067  -5.177   7.831
  194    HD2  HIS  27          2HD       HIS  27   5.437  -3.294   4.395
  195    HE1  HIS  27          1HE       HIS  27   5.372  -3.173   8.614
  196    H    TYR  28           H        TYR  28   3.803  -7.130   2.184
  197    HA   TYR  28           HA       TYR  28   2.478  -9.646   2.904
  198    HB2  TYR  28          2HB       TYR  28   1.507  -7.510   1.002
  199    HB3  TYR  28          1HB       TYR  28   0.697  -9.039   1.309
  200    HD1  TYR  28          1HD       TYR  28  -0.399  -9.417   3.517
  201    HD2  TYR  28          2HD       TYR  28   1.298  -5.654   2.480
  202    HE1  TYR  28          1HE       TYR  28  -1.648  -8.349   5.339
  203    HE2  TYR  28          2HE       TYR  28   0.055  -4.585   4.303
  204    HH   TYR  28           HH       TYR  28  -1.466  -6.381   6.722
  205    H    HIS  29           H        HIS  29   2.620 -11.262   1.479
  206    HA   HIS  29           HA       HIS  29   4.664 -11.103  -0.573
  207    HB2  HIS  29          2HB       HIS  29   2.919 -13.433   0.303
  208    HB3  HIS  29          1HB       HIS  29   4.281 -13.542  -0.795
  209    HD1  HIS  29          1HD       HIS  29   6.479 -14.203   0.310
  210    HD2  HIS  29          2HD       HIS  29   3.734 -12.619   3.014
  211    HE1  HIS  29          1HE       HIS  29   7.498 -14.494   2.569
  212    H    HIS  30           H        HIS  30   1.256 -11.151  -0.209
  213    HA   HIS  30           HA       HIS  30   0.706 -11.784  -2.996
  214    HB2  HIS  30          2HB       HIS  30  -1.015 -11.457  -0.568
  215    HB3  HIS  30          1HB       HIS  30  -1.717 -11.476  -2.177
  216    HD1  HIS  30          1HD       HIS  30  -2.425 -13.666  -2.912
  217    HD2  HIS  30          2HD       HIS  30   0.632 -13.925  -0.137
  218    HE1  HIS  30          1HE       HIS  30  -2.098 -16.162  -2.454
  219    H    ALA  31           H        ALA  31   1.699  -9.049  -1.709
  220    HA   ALA  31           HA       ALA  31  -0.402  -7.287  -2.577
  221    HB1  ALA  31          1HB       ALA  31   1.109  -5.464  -2.038
  222    HB2  ALA  31          2HB       ALA  31   2.409  -6.617  -1.706
  223    HB3  ALA  31          3HB       ALA  31   0.952  -6.597  -0.703
  224    H    CYS  32           H        CYS  32  -0.081  -5.625  -4.121
  225    HA   CYS  32           HA       CYS  32   1.793  -6.203  -6.269
  226    HB2  CYS  32          2HB       CYS  32  -0.110  -7.476  -6.924
  227    HB3  CYS  32          1HB       CYS  32  -1.205  -6.176  -6.484
  228    H    LYS  33           H        LYS  33  -0.809  -4.050  -5.072
  229    HA   LYS  33           HA       LYS  33   0.704  -1.797  -6.192
  230    HB2  LYS  33          2HB       LYS  33  -1.266  -2.182  -7.606
  231    HB3  LYS  33          1HB       LYS  33  -2.310  -2.197  -6.204
  232    HG2  LYS  33          2HG       LYS  33  -1.804   0.182  -5.806
  233    HG3  LYS  33          1HG       LYS  33  -0.770   0.190  -7.233
  234    HD2  LYS  33          2HD       LYS  33  -2.669  -0.322  -8.651
  235    HD3  LYS  33          1HD       LYS  33  -3.712  -0.467  -7.239
  236    HE2  LYS  33          2HE       LYS  33  -4.024   1.686  -8.347
  237    HE3  LYS  33          1HE       LYS  33  -3.378   1.895  -6.726
  238    HZ1  LYS  33          1HZ       LYS  33  -1.741   1.984  -9.212
  239    HZ2  LYS  33          2HZ       LYS  33  -1.204   2.444  -7.661
  240    HZ3  LYS  33          3HZ       LYS  33  -2.375   3.312  -8.450
  241    H    GLY  34           H        GLY  34   0.504   0.160  -4.936
  242    HA2  GLY  34          2HA       GLY  34  -0.801  -0.154  -2.363
  243    HA3  GLY  34          1HA       GLY  34   0.909   0.277  -2.419
  244    H    GLU  35           H        GLU  35  -1.849   1.639  -1.820
  245    HA   GLU  35           HA       GLU  35  -1.075   4.114  -3.200
  246    HB2  GLU  35          2HB       GLU  35  -3.890   3.293  -2.489
  247    HB3  GLU  35          1HB       GLU  35  -3.436   4.892  -3.036
  248    HG2  GLU  35          2HG       GLU  35  -2.537   3.831  -5.113
  249    HG3  GLU  35          1HG       GLU  35  -3.281   2.325  -4.591
  250    H    CYS  36           H        CYS  36  -1.148   6.000  -2.097
  251    HA   CYS  36           HA       CYS  36  -0.825   5.625   0.779
  252    HB2  CYS  36          2HB       CYS  36   0.039   7.868  -1.016
  253    HB3  CYS  36          1HB       CYS  36   0.474   7.651   0.679
  254    H    GLU  37           H        GLU  37  -2.474   6.216   2.011
  255    HA   GLU  37           HA       GLU  37  -4.066   8.503   1.121
  256    HB2  GLU  37          2HB       GLU  37  -4.868   6.144   2.798
  257    HB3  GLU  37          1HB       GLU  37  -5.844   7.598   2.652
  258    HG2  GLU  37          2HG       GLU  37  -4.984   5.890   0.342
  259    HG3  GLU  37          1HG       GLU  37  -6.531   5.746   1.167
  260    H    TYR  38           H        TYR  38  -3.331  10.204   2.075
  261    HA   TYR  38           HA       TYR  38  -2.355  10.116   4.778
  262    HB2  TYR  38          2HB       TYR  38  -2.680  12.371   2.790
  263    HB3  TYR  38          1HB       TYR  38  -2.113  12.628   4.432
  264    HD1  TYR  38          1HD       TYR  38  -1.234  11.236   1.123
  265    HD2  TYR  38          2HD       TYR  38   0.074  11.922   5.103
  266    HE1  TYR  38          1HE       TYR  38   1.072  10.729   0.449
  267    HE2  TYR  38          2HE       TYR  38   2.377  11.427   4.449
  268    HH   TYR  38           HH       TYR  38   3.419  11.341   1.340
  269    H    HIS  39           H        HIS  39  -3.875   9.767   6.183
  270    HA   HIS  39           HA       HIS  39  -6.334  11.345   6.033
  271    HB2  HIS  39          2HB       HIS  39  -6.757   8.957   5.548
  272    HB3  HIS  39          1HB       HIS  39  -5.963   8.507   7.049
  273    HD1  HIS  39          1HD       HIS  39  -7.720   7.806   8.744
  274    HD2  HIS  39          2HD       HIS  39  -9.015  10.911   6.289
  275    HE1  HIS  39          1HE       HIS  39 -10.017   8.377   9.510
  276    H    GLY  40           H        GLY  40  -6.001  12.891   7.458
  277    HA2  GLY  40          2HA       GLY  40  -5.884  13.827   9.545
  278    HA3  GLY  40          1HA       GLY  40  -5.696  12.212  10.225
  279    H    ARG  41           H        ARG  41  -3.873  11.987  11.231
  280    HA   ARG  41           HA       ARG  41  -1.589  13.715  10.638
  281    HB2  ARG  41          2HB       ARG  41  -1.733  11.508  12.654
  282    HB3  ARG  41          1HB       ARG  41  -0.649  12.876  12.644
  283    HG2  ARG  41          2HG       ARG  41  -2.437  14.370  13.235
  284    HG3  ARG  41          1HG       ARG  41  -3.618  13.061  13.093
  285    HD2  ARG  41          2HD       ARG  41  -1.381  13.313  15.096
  286    HD3  ARG  41          1HD       ARG  41  -3.119  13.319  15.414
  287    HE   ARG  41           HE       ARG  41  -2.400  10.927  14.104
  288   HH11  ARG  41          1HH1      ARG  41  -2.102  12.404  17.300
  289   HH12  ARG  41          2HH1      ARG  41  -1.960  10.913  18.100
  290   HH21  ARG  41          1HH2      ARG  41  -2.136   9.020  15.099
  291   HH22  ARG  41          2HH2      ARG  41  -1.966   8.869  16.804
  292    H    GLU  42           H        GLU  42  -2.655  10.429  10.366
  293    HA   GLU  42           HA       GLU  42   0.004   9.431   9.702
  294    HB2  GLU  42          2HB       GLU  42  -2.557   8.077  10.484
  295    HB3  GLU  42          1HB       GLU  42  -1.266   7.178   9.714
  296    HG2  GLU  42          2HG       GLU  42  -1.230   6.918  12.138
  297    HG3  GLU  42          1HG       GLU  42   0.225   7.701  11.543
  298    H    VAL  43           H        VAL  43   0.185   7.861   7.955
  299    HA   VAL  43           HA       VAL  43  -1.742   8.296   5.828
  300    HB   VAL  43           HB       VAL  43   0.277   9.498   5.147
  301   HG11  VAL  43          1HG1      VAL  43   1.727   6.916   5.527
  302   HG12  VAL  43          2HG1      VAL  43   1.916   8.365   6.531
  303   HG13  VAL  43          3HG1      VAL  43   2.411   8.380   4.830
  304   HG21  VAL  43          1HG2      VAL  43   0.040   6.891   3.653
  305   HG22  VAL  43          2HG2      VAL  43   0.798   8.364   3.043
  306   HG23  VAL  43          3HG2      VAL  43  -0.931   8.339   3.386
  307    H    HIS  44           H        HIS  44  -2.525   6.591   4.940
  308    HA   HIS  44           HA       HIS  44  -1.682   4.010   6.017
  309    HB2  HIS  44          2HB       HIS  44  -4.275   4.800   4.653
  310    HB3  HIS  44          1HB       HIS  44  -3.921   3.227   5.347
  311    HD1  HIS  44          1HD       HIS  44  -5.180   2.975   7.532
  312    HD2  HIS  44          2HD       HIS  44  -3.810   6.836   6.880
  313    HE1  HIS  44          1HE       HIS  44  -5.951   4.325   9.517
  314    H    CYS  45           H        CYS  45  -0.472   2.929   4.738
  315    HA   CYS  45           HA       CYS  45  -0.518   3.295   1.855
  316    HB2  CYS  45          2HB       CYS  45   1.662   3.100   2.938
  317    HB3  CYS  45          1HB       CYS  45   1.181   1.611   3.720
  318    H    HIS  46           H        HIS  46  -2.190   2.366   0.936
  319    HA   HIS  46           HA       HIS  46  -3.407  -0.002   2.052
  320    HB2  HIS  46          2HB       HIS  46  -4.143   1.717  -0.320
  321    HB3  HIS  46          1HB       HIS  46  -5.044   0.291   0.166
  322    HD1  HIS  46          1HD       HIS  46  -6.471   2.997   0.106
  323    HD2  HIS  46          2HD       HIS  46  -4.541   1.479   3.458
  324    HE1  HIS  46          1HE       HIS  46  -7.595   4.055   2.102
  325    H    CYS  47           H        CYS  47  -2.546  -1.833   1.628
  326    HA   CYS  47           HA       CYS  47  -1.048  -2.267  -0.802
  327    HB2  CYS  47          2HB       CYS  47  -1.601  -4.084   1.542
  328    HB3  CYS  47          1HB       CYS  47  -0.461  -4.399   0.236
  329    H    TYR  48           H        TYR  48  -2.124  -2.817  -2.532
  330    HA   TYR  48           HA       TYR  48  -4.592  -4.409  -2.338
  331    HB2  TYR  48          2HB       TYR  48  -3.405  -2.944  -4.692
  332    HB3  TYR  48          1HB       TYR  48  -4.950  -3.762  -4.665
  333    HD1  TYR  48          1HD       TYR  48  -3.088  -0.795  -3.615
  334    HD2  TYR  48          2HD       TYR  48  -6.892  -2.687  -3.669
  335    HE1  TYR  48          1HE       TYR  48  -4.148   1.327  -3.082
  336    HE2  TYR  48          2HE       TYR  48  -7.963  -0.558  -3.129
  337    HH   TYR  48           HH       TYR  48  -6.330   2.363  -3.431
  338    H    GLY  49           H        GLY  49  -4.723  -6.317  -3.520
  339    HA2  GLY  49          2HA       GLY  49  -2.788  -7.201  -5.365
  340    HA3  GLY  49          1HA       GLY  49  -2.495  -7.926  -3.785
  341    H    ASP  50           H        ASP  50  -3.058  -9.979  -4.440
  342    HA   ASP  50           HA       ASP  50  -5.938 -10.447  -4.606
  343    HB2  ASP  50          2HB       ASP  50  -3.864 -11.753  -6.405
  344    HB3  ASP  50          1HB       ASP  50  -5.510 -12.322  -6.214
  345    H    TYR  51           H        TYR  51  -6.475 -12.470  -3.588
  346    HA   TYR  51           HA       TYR  51  -4.174 -13.624  -2.217
  347    HB2  TYR  51          2HB       TYR  51  -5.314 -13.707  -0.117
  348    HB3  TYR  51          1HB       TYR  51  -5.450 -12.066  -0.712
  349    HD1  TYR  51          1HD       TYR  51  -7.187 -14.842   0.619
  350    HD2  TYR  51          2HD       TYR  51  -7.710 -11.473  -1.925
  351    HE1  TYR  51          1HE       TYR  51  -9.602 -14.960   0.975
  352    HE2  TYR  51          2HE       TYR  51 -10.129 -11.584  -1.571
  353    HH   TYR  51           HH       TYR  51 -11.510 -13.359   0.885
  354    H    HIS  52           H        HIS  52  -4.733 -15.730  -1.227
  355    HA   HIS  52           HA       HIS  52  -6.779 -17.200  -2.602
  356    HB2  HIS  52          2HB       HIS  52  -3.838 -17.818  -2.865
  357    HB3  HIS  52          1HB       HIS  52  -5.051 -19.080  -3.011
  358    HD1  HIS  52          1HD       HIS  52  -6.909 -18.516  -5.001
  359    HD2  HIS  52          2HD       HIS  52  -3.229 -16.600  -5.146
  360    HE1  HIS  52          1HE       HIS  52  -6.639 -17.754  -7.366
  Start of MODEL   15
    1    H1   ALA   1           H        ALA   1  -5.184 -11.592 -12.714
    2    HA   ALA   1           HA       ALA   1  -6.048 -11.333  -9.995
    3    HB1  ALA   1          1HB       ALA   1  -3.752 -11.946 -10.626
    4    HB2  ALA   1          2HB       ALA   1  -3.791 -10.525  -9.582
    5    HB3  ALA   1          3HB       ALA   1  -3.525 -10.338 -11.315
    6    H    HIS   2           H        HIS   2  -7.095  -9.701  -9.110
    7    HA   HIS   2           HA       HIS   2  -7.102  -7.115 -10.502
    8    HB2  HIS   2          2HB       HIS   2  -8.926  -8.195  -8.334
    9    HB3  HIS   2          1HB       HIS   2  -8.995  -6.555  -8.939
   10    HD1  HIS   2          1HD       HIS   2 -11.363  -6.708  -9.901
   11    HD2  HIS   2          2HD       HIS   2  -8.821  -9.670 -11.330
   12    HE1  HIS   2          1HE       HIS   2 -12.617  -7.865 -11.748
   13    H    CYS   3           H        CYS   3  -5.578  -5.816  -9.806
   14    HA   CYS   3           HA       CYS   3  -4.433  -5.976  -7.170
   15    HB2  CYS   3          2HB       CYS   3  -3.992  -4.062  -9.470
   16    HB3  CYS   3          1HB       CYS   3  -3.067  -4.043  -7.969
   17    H    ASP   4           H        ASP   4  -7.028  -5.513  -6.796
   18    HA   ASP   4           HA       ASP   4  -7.048  -2.733  -5.861
   19    HB2  ASP   4          2HB       ASP   4  -8.284  -2.916  -8.020
   20    HB3  ASP   4          1HB       ASP   4  -9.409  -4.020  -7.240
   21    H    HIS   5           H        HIS   5  -7.318  -5.913  -4.995
   22    HA   HIS   5           HA       HIS   5  -9.415  -5.605  -3.040
   23    HB2  HIS   5          2HB       HIS   5  -7.357  -7.806  -3.334
   24    HB3  HIS   5          1HB       HIS   5  -8.761  -7.849  -2.284
   25    HD1  HIS   5          1HD       HIS   5  -7.635  -8.660  -5.662
   26    HD2  HIS   5          2HD       HIS   5 -11.231  -7.983  -3.720
   27    HE1  HIS   5          1HE       HIS   5  -9.395  -9.708  -7.120
   28    H    PHE   6           H        PHE   6  -9.138  -4.845  -1.066
   29    HA   PHE   6           HA       PHE   6  -6.616  -3.840  -0.227
   30    HB2  PHE   6          2HB       PHE   6  -8.671  -2.621   0.257
   31    HB3  PHE   6          1HB       PHE   6  -9.313  -3.995   1.136
   32    HD1  PHE   6          1HD       PHE   6  -9.179  -3.985   3.400
   33    HD2  PHE   6          2HD       PHE   6  -6.371  -1.675   1.199
   34    HE1  PHE   6          1HE       PHE   6  -8.271  -3.091   5.503
   35    HE2  PHE   6          2HE       PHE   6  -5.463  -0.786   3.297
   36    HZ   PHE   6           HZ       PHE   6  -6.406  -1.493   5.449
   37    H    LEU   7           H        LEU   7  -5.152  -5.255   0.302
   38    HA   LEU   7           HA       LEU   7  -5.760  -7.753   1.615
   39    HB2  LEU   7          2HB       LEU   7  -3.099  -6.495   0.978
   40    HB3  LEU   7          1HB       LEU   7  -3.352  -8.145   1.496
   41    HG   LEU   7           HG       LEU   7  -4.230  -6.940  -1.128
   42   HD11  LEU   7          1HD1      LEU   7  -1.847  -7.324  -0.989
   43   HD12  LEU   7          2HD1      LEU   7  -2.602  -8.484  -2.083
   44   HD13  LEU   7          3HD1      LEU   7  -2.129  -8.982  -0.460
   45   HD21  LEU   7          1HD2      LEU   7  -5.845  -8.595  -0.405
   46   HD22  LEU   7          2HD2      LEU   7  -4.550  -9.740  -0.061
   47   HD23  LEU   7          3HD2      LEU   7  -4.871  -9.246  -1.724
   48    H    GLY   8           H        GLY   8  -4.402  -4.641   2.426
   49    HA2  GLY   8          2HA       GLY   8  -5.040  -4.619   5.061
   50    HA3  GLY   8          1HA       GLY   8  -3.463  -5.403   4.988
   51    H    GLU   9           H        GLU   9  -3.062  -3.311   6.269
   52    HA   GLU   9           HA       GLU   9  -2.275  -1.301   4.311
   53    HB2  GLU   9          2HB       GLU   9  -2.734   0.451   6.008
   54    HB3  GLU   9          1HB       GLU   9  -4.174  -0.394   5.468
   55    HG2  GLU   9          2HG       GLU   9  -4.110  -1.755   7.501
   56    HG3  GLU   9          1HG       GLU   9  -2.703  -0.839   8.049
   57    H    ALA  10           H        ALA  10  -0.384  -0.309   4.621
   58    HA   ALA  10           HA       ALA  10   1.370  -1.449   6.690
   59    HB1  ALA  10          1HB       ALA  10   1.932  -2.320   4.466
   60    HB2  ALA  10          2HB       ALA  10   3.217  -1.278   5.079
   61    HB3  ALA  10          3HB       ALA  10   2.098  -0.672   3.859
   62    HA   PRO  11           HA       PRO  11   1.989   2.839   7.710
   63    HB2  PRO  11          2HB       PRO  11   4.080   2.601   9.402
   64    HB3  PRO  11          1HB       PRO  11   2.463   2.041   9.839
   65    HG2  PRO  11          2HG       PRO  11   4.823   0.459   8.908
   66    HG3  PRO  11          1HG       PRO  11   3.626   0.052  10.147
   67    HD2  PRO  11          2HD       PRO  11   3.603  -0.913   7.568
   68    HD3  PRO  11          1HD       PRO  11   2.179  -0.811   8.618
   69    H    VAL  12           H        VAL  12   2.743   4.000   5.948
   70    HA   VAL  12           HA       VAL  12   5.630   3.856   5.465
   71    HB   VAL  12           HB       VAL  12   3.528   4.248   3.308
   72   HG11  VAL  12          1HG1      VAL  12   5.406   4.122   1.729
   73   HG12  VAL  12          2HG1      VAL  12   6.529   4.017   3.083
   74   HG13  VAL  12          3HG1      VAL  12   5.577   5.481   2.841
   75   HG21  VAL  12          1HG2      VAL  12   3.581   1.931   4.070
   76   HG22  VAL  12          2HG2      VAL  12   5.327   1.882   3.824
   77   HG23  VAL  12          3HG2      VAL  12   4.247   2.066   2.442
   78    H    TYR  13           H        TYR  13   6.296   5.684   6.400
   79    HA   TYR  13           HA       TYR  13   5.270   8.134   5.278
   80    HB2  TYR  13          2HB       TYR  13   4.088   7.782   7.469
   81    HB3  TYR  13          1HB       TYR  13   5.660   7.756   8.265
   82    HD1  TYR  13          1HD       TYR  13   6.903   9.824   8.617
   83    HD2  TYR  13          2HD       TYR  13   3.206   9.836   6.533
   84    HE1  TYR  13          1HE       TYR  13   6.831  12.260   8.770
   85    HE2  TYR  13          2HE       TYR  13   3.119  12.281   6.684
   86    HH   TYR  13           HH       TYR  13   5.801  14.112   7.534
   87    HA   PRO  14           HA       PRO  14   5.873  10.104   4.948
   88    HB2  PRO  14          2HB       PRO  14   7.909  10.924   3.003
   89    HB3  PRO  14          1HB       PRO  14   7.043  11.909   4.187
   90    HG2  PRO  14          2HG       PRO  14   9.671  11.368   4.454
   91    HG3  PRO  14          1HG       PRO  14   8.592  11.513   5.855
   92    HD2  PRO  14          2HD       PRO  14   9.576   9.038   4.471
   93    HD3  PRO  14          1HD       PRO  14   9.517   9.402   6.212
   94    H    CYS  15           H        CYS  15   5.002  10.295   2.709
   95    HA   CYS  15           HA       CYS  15   5.039   7.685   1.480
   96    HB2  CYS  15          2HB       CYS  15   2.872   8.602   1.787
   97    HB3  CYS  15          1HB       CYS  15   3.332  10.128   1.040
   98    H    LYS  16           H        LYS  16   5.972   7.080  -0.204
   99    HA   LYS  16           HA       LYS  16   6.599   8.874  -2.323
  100    HB2  LYS  16          2HB       LYS  16   8.675   8.402  -1.140
  101    HB3  LYS  16          1HB       LYS  16   8.281   6.677  -1.109
  102    HG2  LYS  16          2HG       LYS  16   9.989   7.188  -2.763
  103    HG3  LYS  16          1HG       LYS  16   8.508   6.603  -3.529
  104    HD2  LYS  16          2HD       LYS  16   7.819   8.836  -3.932
  105    HD3  LYS  16          1HD       LYS  16   9.290   9.471  -3.198
  106    HE2  LYS  16          2HE       LYS  16  10.643   8.264  -4.912
  107    HE3  LYS  16          1HE       LYS  16   9.151   7.716  -5.667
  108    HZ1  LYS  16          1HZ       LYS  16  10.062  10.531  -5.436
  109    HZ2  LYS  16          2HZ       LYS  16   8.601  10.038  -6.100
  110    HZ3  LYS  16          3HZ       LYS  16  10.055   9.581  -6.830
  111    H    GLU  17           H        GLU  17   5.620   7.986  -4.011
  112    HA   GLU  17           HA       GLU  17   3.887   5.861  -3.696
  113    HB2  GLU  17          2HB       GLU  17   3.696   5.884  -6.277
  114    HB3  GLU  17          1HB       GLU  17   3.150   7.256  -5.336
  115    HG2  GLU  17          2HG       GLU  17   4.273   7.977  -7.290
  116    HG3  GLU  17          1HG       GLU  17   5.221   8.442  -5.885
  117    H    LYS  18           H        LYS  18   7.050   5.716  -5.182
  118    HA   LYS  18           HA       LYS  18   6.929   2.981  -5.852
  119    HB2  LYS  18          2HB       LYS  18   8.646   4.481  -6.770
  120    HB3  LYS  18          1HB       LYS  18   9.360   4.652  -5.170
  121    HG2  LYS  18          2HG       LYS  18   9.831   2.231  -5.155
  122    HG3  LYS  18          1HG       LYS  18   9.194   2.122  -6.793
  123    HD2  LYS  18          2HD       LYS  18  10.923   3.631  -7.581
  124    HD3  LYS  18          1HD       LYS  18  11.545   3.795  -5.933
  125    HE2  LYS  18          2HE       LYS  18  11.962   1.356  -5.897
  126    HE3  LYS  18          1HE       LYS  18  11.428   1.267  -7.572
  127    HZ1  LYS  18          1HZ       LYS  18  13.272   2.744  -8.169
  128    HZ2  LYS  18          2HZ       LYS  18  13.811   1.339  -7.456
  129    HZ3  LYS  18          3HZ       LYS  18  13.795   2.758  -6.566
  130    H    ALA  19           H        ALA  19   7.957   4.652  -2.926
  131    HA   ALA  19           HA       ALA  19   9.006   2.424  -1.540
  132    HB1  ALA  19          1HB       ALA  19   9.422   4.788  -0.873
  133    HB2  ALA  19          2HB       ALA  19   8.854   3.779   0.454
  134    HB3  ALA  19          3HB       ALA  19   7.742   4.895  -0.324
  135    H    CYS  20           H        CYS  20   5.870   3.979  -1.527
  136    HA   CYS  20           HA       CYS  20   4.532   2.485   0.368
  137    HB2  CYS  20          2HB       CYS  20   3.707   4.559  -0.687
  138    HB3  CYS  20          1HB       CYS  20   3.464   3.687  -2.193
  139    H    LYS  21           H        LYS  21   4.716   1.965  -3.135
  140    HA   LYS  21           HA       LYS  21   3.241  -0.409  -3.217
  141    HB2  LYS  21          2HB       LYS  21   3.621   0.934  -5.180
  142    HB3  LYS  21          1HB       LYS  21   5.354   0.678  -5.075
  143    HG2  LYS  21          2HG       LYS  21   5.055  -1.672  -5.604
  144    HG3  LYS  21          1HG       LYS  21   3.302  -1.457  -5.629
  145    HD2  LYS  21          2HD       LYS  21   3.475   0.067  -7.494
  146    HD3  LYS  21          1HD       LYS  21   5.234  -0.004  -7.428
  147    HE2  LYS  21          2HE       LYS  21   5.184  -2.355  -8.008
  148    HE3  LYS  21          1HE       LYS  21   3.421  -2.343  -7.988
  149    HZ1  LYS  21          1HZ       LYS  21   5.087  -0.716  -9.834
  150    HZ2  LYS  21          2HZ       LYS  21   3.414  -0.849  -9.851
  151    HZ3  LYS  21          3HZ       LYS  21   4.373  -2.188 -10.222
  152    H    SER  22           H        SER  22   6.726   0.166  -2.847
  153    HA   SER  22           HA       SER  22   7.557  -2.503  -3.009
  154    HB2  SER  22          2HB       SER  22   9.117  -0.541  -3.099
  155    HB3  SER  22          1HB       SER  22   8.833  -0.286  -1.381
  156    HG   SER  22           HG       SER  22   9.776  -2.272  -0.935
  157    H    VAL  23           H        VAL  23   6.896  -0.477  -0.155
  158    HA   VAL  23           HA       VAL  23   7.355  -2.412   1.782
  159    HB   VAL  23           HB       VAL  23   5.448  -0.044   1.916
  160   HG11  VAL  23          1HG1      VAL  23   5.694  -0.203   4.353
  161   HG12  VAL  23          2HG1      VAL  23   6.661  -1.662   4.154
  162   HG13  VAL  23          3HG1      VAL  23   4.964  -1.660   3.680
  163   HG21  VAL  23          1HG2      VAL  23   7.296   1.105   3.040
  164   HG22  VAL  23          2HG2      VAL  23   7.748   0.602   1.413
  165   HG23  VAL  23          3HG2      VAL  23   8.316  -0.311   2.809
  166    H    CYS  24           H        CYS  24   4.337  -1.575   0.128
  167    HA   CYS  24           HA       CYS  24   2.723  -3.409   1.435
  168    HB2  CYS  24          2HB       CYS  24   2.537  -2.133  -1.261
  169    HB3  CYS  24          1HB       CYS  24   1.369  -3.358  -0.771
  170    H    LYS  25           H        LYS  25   4.797  -3.957  -1.391
  171    HA   LYS  25           HA       LYS  25   3.852  -6.650  -1.729
  172    HB2  LYS  25          2HB       LYS  25   6.304  -5.278  -2.823
  173    HB3  LYS  25          1HB       LYS  25   5.780  -6.901  -3.245
  174    HG2  LYS  25          2HG       LYS  25   3.692  -5.964  -4.157
  175    HG3  LYS  25          1HG       LYS  25   4.279  -4.343  -3.775
  176    HD2  LYS  25          2HD       LYS  25   4.655  -4.896  -6.135
  177    HD3  LYS  25          1HD       LYS  25   6.175  -4.663  -5.274
  178    HE2  LYS  25          2HE       LYS  25   6.465  -7.082  -5.089
  179    HE3  LYS  25          1HE       LYS  25   4.911  -7.348  -5.872
  180    HZ1  LYS  25          1HZ       LYS  25   7.344  -6.148  -7.060
  181    HZ2  LYS  25          2HZ       LYS  25   5.872  -6.262  -7.869
  182    HZ3  LYS  25          3HZ       LYS  25   6.699  -7.658  -7.407
  183    H    GLU  26           H        GLU  26   6.250  -5.123   0.169
  184    HA   GLU  26           HA       GLU  26   7.722  -7.519   0.639
  185    HB2  GLU  26          2HB       GLU  26   7.846  -4.825   2.005
  186    HB3  GLU  26          1HB       GLU  26   8.962  -6.149   2.325
  187    HG2  GLU  26          2HG       GLU  26   9.669  -6.120  -0.029
  188    HG3  GLU  26          1HG       GLU  26   8.560  -4.792  -0.334
  189    H    HIS  27           H        HIS  27   5.144  -5.829   2.259
  190    HA   HIS  27           HA       HIS  27   5.143  -7.741   4.448
  191    HB2  HIS  27          2HB       HIS  27   3.202  -5.515   3.764
  192    HB3  HIS  27          1HB       HIS  27   2.972  -6.606   5.119
  193    HD1  HIS  27          1HD       HIS  27   3.975  -5.816   7.295
  194    HD2  HIS  27          2HD       HIS  27   5.595  -3.959   3.977
  195    HE1  HIS  27          1HE       HIS  27   5.522  -4.026   8.195
  196    H    TYR  28           H        TYR  28   3.161  -7.040   1.595
  197    HA   TYR  28           HA       TYR  28   1.811  -9.613   1.981
  198    HB2  TYR  28          2HB       TYR  28   0.814  -7.107   0.598
  199    HB3  TYR  28          1HB       TYR  28  -0.062  -8.627   0.686
  200    HD1  TYR  28          1HD       TYR  28   1.132  -5.724   2.602
  201    HD2  TYR  28          2HD       TYR  28  -1.277  -9.227   2.674
  202    HE1  TYR  28          1HE       TYR  28   0.145  -4.970   4.685
  203    HE2  TYR  28          2HE       TYR  28  -2.294  -8.495   4.769
  204    HH   TYR  28           HH       TYR  28  -1.907  -7.057   6.585
  205    H    HIS  29           H        HIS  29   2.837 -10.978   0.667
  206    HA   HIS  29           HA       HIS  29   4.294 -10.182  -1.598
  207    HB2  HIS  29          2HB       HIS  29   3.357 -12.933  -0.773
  208    HB3  HIS  29          1HB       HIS  29   4.416 -12.627  -2.143
  209    HD1  HIS  29          1HD       HIS  29   5.093 -14.217   0.661
  210    HD2  HIS  29          2HD       HIS  29   6.364 -10.447  -0.551
  211    HE1  HIS  29          1HE       HIS  29   7.232 -13.787   1.885
  212    H    HIS  30           H        HIS  30   0.963 -10.795  -1.250
  213    HA   HIS  30           HA       HIS  30   0.596 -11.246  -4.097
  214    HB2  HIS  30          2HB       HIS  30  -1.384 -11.136  -1.824
  215    HB3  HIS  30          1HB       HIS  30  -1.867 -11.241  -3.507
  216    HD1  HIS  30          1HD       HIS  30  -2.003 -13.519  -4.481
  217    HD2  HIS  30          2HD       HIS  30   0.177 -13.438  -0.955
  218    HE1  HIS  30          1HE       HIS  30  -1.540 -15.939  -3.879
  219    H    ALA  31           H        ALA  31   1.226  -8.580  -2.370
  220    HA   ALA  31           HA       ALA  31  -0.826  -6.880  -3.447
  221    HB1  ALA  31          1HB       ALA  31   0.429  -5.032  -2.460
  222    HB2  ALA  31          2HB       ALA  31   1.758  -6.128  -2.077
  223    HB3  ALA  31          3HB       ALA  31   0.192  -6.329  -1.290
  224    H    CYS  32           H        CYS  32  -0.728  -5.653  -5.167
  225    HA   CYS  32           HA       CYS  32   1.776  -5.494  -6.662
  226    HB2  CYS  32          2HB       CYS  32   0.292  -5.750  -8.770
  227    HB3  CYS  32          1HB       CYS  32   0.707  -7.202  -7.867
  228    H    LYS  33           H        LYS  33  -0.516  -3.872  -5.085
  229    HA   LYS  33           HA       LYS  33   0.045  -1.393  -6.440
  230    HB2  LYS  33          2HB       LYS  33  -2.015  -2.224  -7.502
  231    HB3  LYS  33          1HB       LYS  33  -2.767  -2.433  -5.939
  232    HG2  LYS  33          2HG       LYS  33  -3.598  -0.425  -6.994
  233    HG3  LYS  33          1HG       LYS  33  -2.602   0.034  -5.611
  234    HD2  LYS  33          2HD       LYS  33  -0.724   0.483  -7.082
  235    HD3  LYS  33          1HD       LYS  33  -1.668  -0.057  -8.468
  236    HE2  LYS  33          2HE       LYS  33  -3.240   1.783  -8.120
  237    HE3  LYS  33          1HE       LYS  33  -2.321   2.306  -6.714
  238    HZ1  LYS  33          1HZ       LYS  33  -0.450   2.782  -8.101
  239    HZ2  LYS  33          2HZ       LYS  33  -1.800   3.575  -8.754
  240    HZ3  LYS  33          3HZ       LYS  33  -1.225   2.164  -9.463
  241    H    GLY  34           H        GLY  34   0.077   0.270  -4.962
  242    HA2  GLY  34          2HA       GLY  34  -1.002  -0.171  -2.323
  243    HA3  GLY  34          1HA       GLY  34   0.752   0.009  -2.432
  244    H    GLU  35           H        GLU  35  -1.826   1.703  -1.674
  245    HA   GLU  35           HA       GLU  35  -0.679   4.111  -2.893
  246    HB2  GLU  35          2HB       GLU  35  -3.625   3.586  -2.538
  247    HB3  GLU  35          1HB       GLU  35  -2.930   5.119  -3.031
  248    HG2  GLU  35          2HG       GLU  35  -1.922   3.892  -4.988
  249    HG3  GLU  35          1HG       GLU  35  -2.932   2.522  -4.530
  250    H    CYS  36           H        CYS  36  -0.454   5.848  -1.672
  251    HA   CYS  36           HA       CYS  36  -0.622   5.551   1.159
  252    HB2  CYS  36          2HB       CYS  36  -0.058   8.025  -0.498
  253    HB3  CYS  36          1HB       CYS  36   0.283   7.814   1.210
  254    H    GLU  37           H        GLU  37  -2.650   5.532   1.931
  255    HA   GLU  37           HA       GLU  37  -4.592   7.347   0.782
  256    HB2  GLU  37          2HB       GLU  37  -4.889   4.971   2.607
  257    HB3  GLU  37          1HB       GLU  37  -6.225   6.034   2.177
  258    HG2  GLU  37          2HG       GLU  37  -4.556   4.626   0.114
  259    HG3  GLU  37          1HG       GLU  37  -5.996   3.906   0.828
  260    H    TYR  38           H        TYR  38  -4.770   9.201   1.633
  261    HA   TYR  38           HA       TYR  38  -3.572   9.755   4.154
  262    HB2  TYR  38          2HB       TYR  38  -4.743  11.509   2.028
  263    HB3  TYR  38          1HB       TYR  38  -4.290  12.150   3.604
  264    HD1  TYR  38          1HD       TYR  38  -2.025  12.510   4.177
  265    HD2  TYR  38          2HD       TYR  38  -2.978  10.492   0.555
  266    HE1  TYR  38          1HE       TYR  38   0.304  12.697   3.475
  267    HE2  TYR  38          2HE       TYR  38  -0.650  10.667  -0.161
  268    HH   TYR  38           HH       TYR  38   1.849  11.547   1.960
  269    H    HIS  39           H        HIS  39  -4.565   9.139   5.775
  270    HA   HIS  39           HA       HIS  39  -7.162  10.332   6.336
  271    HB2  HIS  39          2HB       HIS  39  -6.114   7.628   7.277
  272    HB3  HIS  39          1HB       HIS  39  -7.596   8.378   7.854
  273    HD1  HIS  39          1HD       HIS  39  -6.217   6.346   5.076
  274    HD2  HIS  39          2HD       HIS  39  -9.701   8.429   5.947
  275    HE1  HIS  39          1HE       HIS  39  -7.946   5.572   3.388
  276    H    GLY  40           H        GLY  40  -6.448  12.044   7.441
  277    HA2  GLY  40          2HA       GLY  40  -5.694  13.073   9.367
  278    HA3  GLY  40          1HA       GLY  40  -4.897  11.572   9.842
  279    H    ARG  41           H        ARG  41  -2.933  12.570  10.258
  280    HA   ARG  41           HA       ARG  41  -1.656  13.942   8.024
  281    HB2  ARG  41          2HB       ARG  41  -0.803  13.664  10.901
  282    HB3  ARG  41          1HB       ARG  41   0.071  14.582   9.687
  283    HG2  ARG  41          2HG       ARG  41  -1.974  15.980   9.383
  284    HG3  ARG  41          1HG       ARG  41  -2.692  15.126  10.746
  285    HD2  ARG  41          2HD       ARG  41  -1.759  17.200  11.513
  286    HD3  ARG  41          1HD       ARG  41  -0.807  15.862  12.148
  287    HE   ARG  41           HE       ARG  41   0.616  16.401  10.041
  288   HH11  ARG  41          1HH1      ARG  41  -0.972  18.792  12.098
  289   HH12  ARG  41          2HH1      ARG  41   0.287  19.922  12.033
  290   HH21  ARG  41          1HH2      ARG  41   2.359  18.010   9.867
  291   HH22  ARG  41          2HH2      ARG  41   2.197  19.486  10.667
  292    H    GLU  42           H        GLU  42  -0.970  11.345  10.325
  293    HA   GLU  42           HA       GLU  42   1.206  10.434   8.724
  294    HB2  GLU  42          2HB       GLU  42  -0.109   9.216  11.160
  295    HB3  GLU  42          1HB       GLU  42   1.323   8.559  10.371
  296    HG2  GLU  42          2HG       GLU  42   2.495  10.682  10.787
  297    HG3  GLU  42          1HG       GLU  42   1.076  11.271  11.644
  298    H    VAL  43           H        VAL  43   0.794   9.689   6.914
  299    HA   VAL  43           HA       VAL  43  -1.645   8.433   6.171
  300    HB   VAL  43           HB       VAL  43  -0.427   9.995   4.708
  301   HG11  VAL  43          1HG1      VAL  43   1.838   9.446   5.188
  302   HG12  VAL  43          2HG1      VAL  43   1.548   9.257   3.457
  303   HG13  VAL  43          3HG1      VAL  43   1.641   7.835   4.497
  304   HG21  VAL  43          1HG2      VAL  43  -0.678   8.813   2.630
  305   HG22  VAL  43          2HG2      VAL  43  -1.987   8.376   3.731
  306   HG23  VAL  43          3HG2      VAL  43  -0.643   7.266   3.472
  307    H    HIS  44           H        HIS  44  -1.924   6.339   5.340
  308    HA   HIS  44           HA       HIS  44   0.151   4.382   6.007
  309    HB2  HIS  44          2HB       HIS  44  -2.862   4.113   6.264
  310    HB3  HIS  44          1HB       HIS  44  -1.745   2.772   6.378
  311    HD1  HIS  44          1HD       HIS  44  -2.787   2.363   8.784
  312    HD2  HIS  44          2HD       HIS  44  -0.728   5.940   8.341
  313    HE1  HIS  44          1HE       HIS  44  -2.349   3.192  11.103
  314    H    CYS  45           H        CYS  45   0.220   2.650   4.513
  315    HA   CYS  45           HA       CYS  45  -0.913   3.373   1.944
  316    HB2  CYS  45          2HB       CYS  45   1.350   1.596   2.754
  317    HB3  CYS  45          1HB       CYS  45   0.608   1.467   1.162
  318    H    HIS  46           H        HIS  46  -2.532   2.372   1.161
  319    HA   HIS  46           HA       HIS  46  -3.410  -0.046   2.465
  320    HB2  HIS  46          2HB       HIS  46  -4.713   1.758   0.416
  321    HB3  HIS  46          1HB       HIS  46  -5.415   0.229   0.927
  322    HD1  HIS  46          1HD       HIS  46  -7.316   2.309   1.551
  323    HD2  HIS  46          2HD       HIS  46  -4.055   1.684   4.062
  324    HE1  HIS  46          1HE       HIS  46  -7.935   3.315   3.746
  325    H    CYS  47           H        CYS  47  -2.825  -1.861   1.739
  326    HA   CYS  47           HA       CYS  47  -1.380  -1.995  -0.756
  327    HB2  CYS  47          2HB       CYS  47  -1.703  -4.021   1.452
  328    HB3  CYS  47          1HB       CYS  47  -0.520  -4.065   0.145
  329    H    TYR  48           H        TYR  48  -2.240  -2.819  -2.502
  330    HA   TYR  48           HA       TYR  48  -4.700  -4.374  -2.236
  331    HB2  TYR  48          2HB       TYR  48  -3.892  -2.491  -4.444
  332    HB3  TYR  48          1HB       TYR  48  -5.380  -3.430  -4.388
  333    HD1  TYR  48          1HD       TYR  48  -3.896  -0.322  -3.764
  334    HD2  TYR  48          2HD       TYR  48  -6.845  -2.973  -2.254
  335    HE1  TYR  48          1HE       TYR  48  -4.994   1.563  -2.610
  336    HE2  TYR  48          2HE       TYR  48  -7.948  -1.129  -1.100
  337    HH   TYR  48           HH       TYR  48  -7.283   2.082  -1.769
  338    H    GLY  49           H        GLY  49  -4.861  -6.167  -3.436
  339    HA2  GLY  49          2HA       GLY  49  -3.145  -6.782  -5.614
  340    HA3  GLY  49          1HA       GLY  49  -2.654  -7.630  -4.151
  341    H    ASP  50           H        ASP  50  -3.255  -9.472  -5.614
  342    HA   ASP  50           HA       ASP  50  -6.114 -10.016  -5.229
  343    HB2  ASP  50          2HB       ASP  50  -5.287  -9.824  -7.649
  344    HB3  ASP  50          1HB       ASP  50  -4.363 -11.289  -7.336
  345    H    TYR  51           H        TYR  51  -6.264 -11.338  -3.564
  346    HA   TYR  51           HA       TYR  51  -4.019 -13.103  -2.991
  347    HB2  TYR  51          2HB       TYR  51  -4.652 -11.509  -1.227
  348    HB3  TYR  51          1HB       TYR  51  -6.277 -12.181  -1.200
  349    HD1  TYR  51          1HD       TYR  51  -2.721 -12.910  -0.494
  350    HD2  TYR  51          2HD       TYR  51  -6.753 -14.141   0.048
  351    HE1  TYR  51          1HE       TYR  51  -1.991 -14.534   1.180
  352    HE2  TYR  51          2HE       TYR  51  -6.046 -15.765   1.711
  353    HH   TYR  51           HH       TYR  51  -4.010 -17.011   2.309
  354    H    HIS  52           H        HIS  52  -4.257 -15.123  -3.578
  355    HA   HIS  52           HA       HIS  52  -6.684 -16.529  -3.105
  356    HB2  HIS  52          2HB       HIS  52  -6.993 -15.506  -5.406
  357    HB3  HIS  52          1HB       HIS  52  -5.549 -16.375  -5.916
  358    HD1  HIS  52          1HD       HIS  52  -5.800 -18.906  -6.379
  359    HD2  HIS  52          2HD       HIS  52  -9.244 -17.078  -4.955
  360    HE1  HIS  52          1HE       HIS  52  -7.650 -20.592  -6.681
  Start of MODEL   16
    1    H1   ALA   1           H        ALA   1  -3.876 -10.090 -13.532
    2    HA   ALA   1           HA       ALA   1  -3.624 -10.481 -11.059
    3    HB1  ALA   1          1HB       ALA   1  -1.190 -10.769 -11.145
    4    HB2  ALA   1          2HB       ALA   1  -1.656  -9.528  -9.981
    5    HB3  ALA   1          3HB       ALA   1  -1.008  -9.062 -11.552
    6    H    HIS   2           H        HIS   2  -5.201  -9.133 -10.468
    7    HA   HIS   2           HA       HIS   2  -4.934  -6.325 -11.235
    8    HB2  HIS   2          2HB       HIS   2  -7.376  -6.108 -10.945
    9    HB3  HIS   2          1HB       HIS   2  -6.982  -7.349 -12.119
   10    HD1  HIS   2          1HD       HIS   2  -7.392  -9.883 -11.280
   11    HD2  HIS   2          2HD       HIS   2  -8.926  -6.886  -8.850
   12    HE1  HIS   2          1HE       HIS   2  -9.065 -11.008  -9.769
   13    H    CYS   3           H        CYS   3  -5.229  -4.716  -9.731
   14    HA   CYS   3           HA       CYS   3  -4.896  -5.622  -6.962
   15    HB2  CYS   3          2HB       CYS   3  -4.018  -2.990  -8.141
   16    HB3  CYS   3          1HB       CYS   3  -3.570  -3.685  -6.592
   17    H    ASP   4           H        ASP   4  -7.020  -5.519  -6.290
   18    HA   ASP   4           HA       ASP   4  -8.119  -2.836  -6.191
   19    HB2  ASP   4          2HB       ASP   4  -9.101  -3.875  -8.224
   20    HB3  ASP   4          1HB       ASP   4  -9.801  -5.129  -7.202
   21    H    HIS   5           H        HIS   5  -8.223  -6.155  -5.063
   22    HA   HIS   5           HA       HIS   5 -10.038  -5.564  -2.945
   23    HB2  HIS   5          2HB       HIS   5  -9.844  -7.845  -3.890
   24    HB3  HIS   5          1HB       HIS   5  -8.174  -7.929  -3.352
   25    HD1  HIS   5          1HD       HIS   5  -7.855  -9.049  -1.128
   26    HD2  HIS   5          2HD       HIS   5 -11.716  -7.636  -1.639
   27    HE1  HIS   5          1HE       HIS   5  -9.130  -9.776   0.925
   28    H    PHE   6           H        PHE   6  -9.565  -4.487  -1.175
   29    HA   PHE   6           HA       PHE   6  -6.967  -3.657  -0.417
   30    HB2  PHE   6          2HB       PHE   6  -9.542  -3.752   1.186
   31    HB3  PHE   6          1HB       PHE   6  -8.062  -3.019   1.763
   32    HD1  PHE   6          1HD       PHE   6  -7.466  -0.780   1.117
   33    HD2  PHE   6          2HD       PHE   6 -10.796  -2.736  -0.715
   34    HE1  PHE   6          1HE       PHE   6  -8.218   1.353   0.190
   35    HE2  PHE   6          2HE       PHE   6 -11.534  -0.592  -1.648
   36    HZ   PHE   6           HZ       PHE   6 -10.247   1.460  -1.190
   37    H    LEU   7           H        LEU   7  -5.466  -4.870   0.474
   38    HA   LEU   7           HA       LEU   7  -6.209  -7.373   1.785
   39    HB2  LEU   7          2HB       LEU   7  -3.466  -6.303   1.157
   40    HB3  LEU   7          1HB       LEU   7  -3.835  -7.910   1.732
   41    HG   LEU   7           HG       LEU   7  -4.417  -6.736  -0.972
   42   HD11  LEU   7          1HD1      LEU   7  -3.038  -8.612  -1.733
   43   HD12  LEU   7          2HD1      LEU   7  -2.737  -9.045  -0.050
   44   HD13  LEU   7          3HD1      LEU   7  -2.177  -7.495  -0.679
   45   HD21  LEU   7          1HD2      LEU   7  -5.433  -8.876  -1.560
   46   HD22  LEU   7          2HD2      LEU   7  -6.353  -8.050  -0.305
   47   HD23  LEU   7          3HD2      LEU   7  -5.307  -9.406   0.116
   48    H    GLY   8           H        GLY   8  -4.481  -4.349   2.441
   49    HA2  GLY   8          2HA       GLY   8  -5.196  -4.369   5.129
   50    HA3  GLY   8          1HA       GLY   8  -3.582  -5.044   4.965
   51    H    GLU   9           H        GLU   9  -2.830  -3.339   6.175
   52    HA   GLU   9           HA       GLU   9  -2.714  -0.718   4.846
   53    HB2  GLU   9          2HB       GLU   9  -4.431  -0.711   6.566
   54    HB3  GLU   9          1HB       GLU   9  -3.290  -1.365   7.724
   55    HG2  GLU   9          2HG       GLU   9  -1.960   0.709   7.486
   56    HG3  GLU   9          1HG       GLU   9  -3.249   1.354   6.464
   57    H    ALA  10           H        ALA  10  -0.665   0.016   4.778
   58    HA   ALA  10           HA       ALA  10   1.298  -1.074   6.675
   59    HB1  ALA  10          1HB       ALA  10   1.677  -2.000   4.435
   60    HB2  ALA  10          2HB       ALA  10   2.999  -0.940   4.933
   61    HB3  ALA  10          3HB       ALA  10   1.795  -0.363   3.780
   62    HA   PRO  11           HA       PRO  11   2.114   3.279   7.376
   63    HB2  PRO  11          2HB       PRO  11   4.104   3.053   9.151
   64    HB3  PRO  11          1HB       PRO  11   2.455   2.560   9.555
   65    HG2  PRO  11          2HG       PRO  11   4.823   0.880   8.886
   66    HG3  PRO  11          1HG       PRO  11   3.480   0.530   9.987
   67    HD2  PRO  11          2HD       PRO  11   3.791  -0.398   7.347
   68    HD3  PRO  11          1HD       PRO  11   2.328  -0.497   8.345
   69    H    VAL  12           H        VAL  12   3.030   4.411   5.695
   70    HA   VAL  12           HA       VAL  12   5.915   4.070   5.235
   71    HB   VAL  12           HB       VAL  12   3.897   4.578   3.027
   72   HG11  VAL  12          1HG1      VAL  12   5.753   4.192   1.497
   73   HG12  VAL  12          2HG1      VAL  12   6.828   3.917   2.863
   74   HG13  VAL  12          3HG1      VAL  12   6.125   5.511   2.614
   75   HG21  VAL  12          1HG2      VAL  12   4.388   2.284   2.244
   76   HG22  VAL  12          2HG2      VAL  12   3.597   2.316   3.820
   77   HG23  VAL  12          3HG2      VAL  12   5.330   2.021   3.713
   78    H    TYR  13           H        TYR  13   6.659   5.990   6.086
   79    HA   TYR  13           HA       TYR  13   5.486   8.422   4.980
   80    HB2  TYR  13          2HB       TYR  13   4.610   7.892   7.355
   81    HB3  TYR  13          1HB       TYR  13   6.238   8.270   7.901
   82    HD1  TYR  13          1HD       TYR  13   3.058   9.540   7.222
   83    HD2  TYR  13          2HD       TYR  13   7.145  10.672   7.154
   84    HE1  TYR  13          1HE       TYR  13   2.394  11.878   7.244
   85    HE2  TYR  13          2HE       TYR  13   6.493  13.042   7.191
   86    HH   TYR  13           HH       TYR  13   3.372  14.011   7.954
   87    HA   PRO  14           HA       PRO  14   6.011  10.225   4.252
   88    HB2  PRO  14          2HB       PRO  14   7.907  10.839   2.117
   89    HB3  PRO  14          1HB       PRO  14   7.059  11.956   3.189
   90    HG2  PRO  14          2HG       PRO  14   9.726  11.561   3.354
   91    HG3  PRO  14          1HG       PRO  14   8.731  11.912   4.779
   92    HD2  PRO  14          2HD       PRO  14   9.758   9.273   3.795
   93    HD3  PRO  14          1HD       PRO  14   9.739   9.923   5.451
   94    H    CYS  15           H        CYS  15   4.740   9.647   2.482
   95    HA   CYS  15           HA       CYS  15   5.403   7.028   1.442
   96    HB2  CYS  15          2HB       CYS  15   3.190   7.485   2.513
   97    HB3  CYS  15          1HB       CYS  15   2.806   8.536   1.152
   98    H    LYS  16           H        LYS  16   5.613   6.515  -0.593
   99    HA   LYS  16           HA       LYS  16   5.063   8.386  -2.730
  100    HB2  LYS  16          2HB       LYS  16   7.584   6.762  -2.343
  101    HB3  LYS  16          1HB       LYS  16   7.086   7.405  -3.899
  102    HG2  LYS  16          2HG       LYS  16   7.681   9.011  -1.454
  103    HG3  LYS  16          1HG       LYS  16   8.789   8.757  -2.820
  104    HD2  LYS  16          2HD       LYS  16   7.062   9.788  -4.294
  105    HD3  LYS  16          1HD       LYS  16   6.123  10.137  -2.837
  106    HE2  LYS  16          2HE       LYS  16   7.412  12.096  -3.549
  107    HE3  LYS  16          1HE       LYS  16   7.928  11.496  -1.975
  108    HZ1  LYS  16          1HZ       LYS  16   9.807  12.064  -3.412
  109    HZ2  LYS  16          2HZ       LYS  16   9.286  10.923  -4.539
  110    HZ3  LYS  16          3HZ       LYS  16   9.812  10.415  -3.032
  111    H    GLU  17           H        GLU  17   4.606   7.201  -4.636
  112    HA   GLU  17           HA       GLU  17   2.961   5.043  -4.033
  113    HB2  GLU  17          2HB       GLU  17   2.375   6.476  -5.802
  114    HB3  GLU  17          1HB       GLU  17   3.875   6.165  -6.659
  115    HG2  GLU  17          2HG       GLU  17   3.236   3.937  -7.080
  116    HG3  GLU  17          1HG       GLU  17   1.794   4.117  -6.073
  117    H    LYS  18           H        LYS  18   6.093   5.070  -5.707
  118    HA   LYS  18           HA       LYS  18   6.103   2.268  -6.115
  119    HB2  LYS  18          2HB       LYS  18   7.559   3.777  -7.412
  120    HB3  LYS  18          1HB       LYS  18   8.461   4.154  -5.959
  121    HG2  LYS  18          2HG       LYS  18   9.165   1.817  -5.786
  122    HG3  LYS  18          1HG       LYS  18   8.280   1.453  -7.268
  123    HD2  LYS  18          2HD       LYS  18   9.687   3.021  -8.497
  124    HD3  LYS  18          1HD       LYS  18  10.552   3.412  -7.009
  125    HE2  LYS  18          2HE       LYS  18  11.303   1.106  -6.824
  126    HE3  LYS  18          1HE       LYS  18  10.421   0.690  -8.293
  127    HZ1  LYS  18          1HZ       LYS  18  12.649   2.638  -8.127
  128    HZ2  LYS  18          2HZ       LYS  18  11.842   2.167  -9.539
  129    HZ3  LYS  18          3HZ       LYS  18  12.773   1.053  -8.689
  130    H    ALA  19           H        ALA  19   7.383   4.319  -3.568
  131    HA   ALA  19           HA       ALA  19   8.661   2.353  -2.038
  132    HB1  ALA  19          1HB       ALA  19   8.437   3.905  -0.153
  133    HB2  ALA  19          2HB       ALA  19   7.274   4.858  -1.072
  134    HB3  ALA  19          3HB       ALA  19   8.950   4.752  -1.613
  135    H    CYS  20           H        CYS  20   5.367   3.604  -1.911
  136    HA   CYS  20           HA       CYS  20   4.371   2.068   0.177
  137    HB2  CYS  20          2HB       CYS  20   3.277   4.053  -0.860
  138    HB3  CYS  20          1HB       CYS  20   2.932   3.088  -2.286
  139    H    LYS  21           H        LYS  21   4.336   1.492  -3.324
  140    HA   LYS  21           HA       LYS  21   3.065  -0.973  -3.475
  141    HB2  LYS  21          2HB       LYS  21   3.632   0.450  -5.385
  142    HB3  LYS  21          1HB       LYS  21   5.336   0.165  -5.105
  143    HG2  LYS  21          2HG       LYS  21   4.951  -2.239  -5.632
  144    HG3  LYS  21          1HG       LYS  21   3.288  -1.820  -6.069
  145    HD2  LYS  21          2HD       LYS  21   4.130  -0.217  -7.718
  146    HD3  LYS  21          1HD       LYS  21   5.780  -0.642  -7.291
  147    HE2  LYS  21          2HE       LYS  21   5.196  -1.796  -9.313
  148    HE3  LYS  21          1HE       LYS  21   5.322  -2.964  -8.000
  149    HZ1  LYS  21          1HZ       LYS  21   3.406  -3.386  -9.396
  150    HZ2  LYS  21          2HZ       LYS  21   2.777  -1.869  -9.106
  151    HZ3  LYS  21          3HZ       LYS  21   2.877  -2.993  -7.862
  152    H    SER  22           H        SER  22   6.484  -0.200  -3.060
  153    HA   SER  22           HA       SER  22   7.495  -2.803  -3.033
  154    HB2  SER  22          2HB       SER  22   8.746  -0.683  -3.474
  155    HB3  SER  22          1HB       SER  22   8.625  -0.296  -1.766
  156    HG   SER  22           HG       SER  22   9.976  -1.863  -1.282
  157    H    VAL  23           H        VAL  23   6.567  -0.605  -0.360
  158    HA   VAL  23           HA       VAL  23   7.235  -2.376   1.734
  159    HB   VAL  23           HB       VAL  23   5.245  -0.074   1.706
  160   HG11  VAL  23          1HG1      VAL  23   4.725  -1.597   3.536
  161   HG12  VAL  23          2HG1      VAL  23   5.440  -0.114   4.172
  162   HG13  VAL  23          3HG1      VAL  23   6.409  -1.582   4.044
  163   HG21  VAL  23          1HG2      VAL  23   7.042   1.162   2.826
  164   HG22  VAL  23          2HG2      VAL  23   7.544   0.581   1.240
  165   HG23  VAL  23          3HG2      VAL  23   8.082  -0.254   2.698
  166    H    CYS  24           H        CYS  24   4.256  -1.852  -0.057
  167    HA   CYS  24           HA       CYS  24   2.674  -3.640   1.341
  168    HB2  CYS  24          2HB       CYS  24   2.581  -2.786  -1.545
  169    HB3  CYS  24          1HB       CYS  24   1.391  -3.876  -0.843
  170    H    LYS  25           H        LYS  25   5.009  -4.264  -1.255
  171    HA   LYS  25           HA       LYS  25   4.421  -7.016  -1.573
  172    HB2  LYS  25          2HB       LYS  25   7.058  -5.579  -1.953
  173    HB3  LYS  25          1HB       LYS  25   6.748  -7.221  -2.468
  174    HG2  LYS  25          2HG       LYS  25   5.443  -4.717  -3.526
  175    HG3  LYS  25          1HG       LYS  25   6.654  -5.699  -4.344
  176    HD2  LYS  25          2HD       LYS  25   3.836  -6.524  -3.627
  177    HD3  LYS  25          1HD       LYS  25   4.443  -6.157  -5.234
  178    HE2  LYS  25          2HE       LYS  25   5.964  -8.098  -5.091
  179    HE3  LYS  25          1HE       LYS  25   5.338  -8.451  -3.481
  180    HZ1  LYS  25          1HZ       LYS  25   4.220  -9.852  -5.050
  181    HZ2  LYS  25          2HZ       LYS  25   3.847  -8.568  -6.041
  182    HZ3  LYS  25          3HZ       LYS  25   3.100  -8.701  -4.543
  183    H    GLU  26           H        GLU  26   6.503  -5.268   0.625
  184    HA   GLU  26           HA       GLU  26   7.832  -7.465   1.768
  185    HB2  GLU  26          2HB       GLU  26   7.235  -4.738   2.883
  186    HB3  GLU  26          1HB       GLU  26   8.223  -5.922   3.714
  187    HG2  GLU  26          2HG       GLU  26   9.791  -5.904   1.827
  188    HG3  GLU  26          1HG       GLU  26   8.796  -4.679   1.038
  189    H    HIS  27           H        HIS  27   4.936  -5.740   2.778
  190    HA   HIS  27           HA       HIS  27   4.607  -7.516   5.031
  191    HB2  HIS  27          2HB       HIS  27   2.875  -5.251   4.041
  192    HB3  HIS  27          1HB       HIS  27   2.461  -6.243   5.431
  193    HD1  HIS  27          1HD       HIS  27   3.463  -5.523   7.658
  194    HD2  HIS  27          2HD       HIS  27   5.283  -3.710   4.393
  195    HE1  HIS  27          1HE       HIS  27   5.004  -3.772   8.611
  196    H    TYR  28           H        TYR  28   3.072  -7.133   1.868
  197    HA   TYR  28           HA       TYR  28   1.564  -9.584   2.433
  198    HB2  TYR  28          2HB       TYR  28   0.623  -7.219   0.804
  199    HB3  TYR  28          1HB       TYR  28  -0.300  -8.682   1.118
  200    HD1  TYR  28          1HD       TYR  28  -1.208  -9.063   3.430
  201    HD2  TYR  28          2HD       TYR  28   0.709  -5.422   2.345
  202    HE1  TYR  28          1HE       TYR  28  -2.178  -7.971   5.392
  203    HE2  TYR  28          2HE       TYR  28  -0.247  -4.320   4.313
  204    HH   TYR  28           HH       TYR  28  -1.679  -6.003   6.862
  205    H    HIS  29           H        HIS  29   2.406 -11.087   1.141
  206    HA   HIS  29           HA       HIS  29   4.113 -10.596  -1.038
  207    HB2  HIS  29          2HB       HIS  29   2.560 -13.101  -0.376
  208    HB3  HIS  29          1HB       HIS  29   3.810 -13.004  -1.605
  209    HD1  HIS  29          1HD       HIS  29   3.493 -14.360   1.540
  210    HD2  HIS  29          2HD       HIS  29   6.246 -11.714  -0.101
  211    HE1  HIS  29          1HE       HIS  29   5.593 -14.580   2.931
  212    H    HIS  30           H        HIS  30   0.667 -11.154  -0.908
  213    HA   HIS  30           HA       HIS  30   0.547 -11.249  -3.800
  214    HB2  HIS  30          2HB       HIS  30  -1.546 -11.749  -1.708
  215    HB3  HIS  30          1HB       HIS  30  -1.947 -11.608  -3.418
  216    HD1  HIS  30          1HD       HIS  30  -1.098 -13.510  -5.001
  217    HD2  HIS  30          2HD       HIS  30  -0.246 -14.073  -0.971
  218    HE1  HIS  30          1HE       HIS  30  -0.315 -15.890  -4.779
  219    H    ALA  31           H        ALA  31   0.882  -8.791  -1.862
  220    HA   ALA  31           HA       ALA  31  -1.164  -7.084  -2.981
  221    HB1  ALA  31          1HB       ALA  31   1.314  -6.419  -1.378
  222    HB2  ALA  31          2HB       ALA  31  -0.347  -6.512  -0.766
  223    HB3  ALA  31          3HB       ALA  31   0.104  -5.254  -1.909
  224    H    CYS  32           H        CYS  32  -0.867  -5.743  -4.643
  225    HA   CYS  32           HA       CYS  32   1.714  -5.957  -6.010
  226    HB2  CYS  32          2HB       CYS  32   0.313  -5.750  -8.148
  227    HB3  CYS  32          1HB       CYS  32   0.285  -7.292  -7.295
  228    H    LYS  33           H        LYS  33  -0.915  -3.882  -5.036
  229    HA   LYS  33           HA       LYS  33   0.692  -1.599  -5.870
  230    HB2  LYS  33          2HB       LYS  33  -1.033  -2.069  -7.635
  231    HB3  LYS  33          1HB       LYS  33  -2.270  -1.836  -6.414
  232    HG2  LYS  33          2HG       LYS  33  -2.053   0.145  -7.768
  233    HG3  LYS  33          1HG       LYS  33  -1.522   0.489  -6.122
  234    HD2  LYS  33          2HD       LYS  33   0.798   0.292  -6.777
  235    HD3  LYS  33          1HD       LYS  33   0.327  -0.197  -8.404
  236    HE2  LYS  33          2HE       LYS  33   1.027   2.131  -8.343
  237    HE3  LYS  33          1HE       LYS  33  -0.674   2.001  -8.770
  238    HZ1  LYS  33          1HZ       LYS  33  -0.067   3.764  -7.176
  239    HZ2  LYS  33          2HZ       LYS  33   0.175   2.611  -5.955
  240    HZ3  LYS  33          3HZ       LYS  33  -1.321   2.819  -6.679
  241    H    GLY  34           H        GLY  34   0.408   0.198  -4.539
  242    HA2  GLY  34          2HA       GLY  34  -1.536  -0.054  -2.388
  243    HA3  GLY  34          1HA       GLY  34   0.155   0.298  -2.022
  244    H    GLU  35           H        GLU  35  -2.220   1.933  -1.600
  245    HA   GLU  35           HA       GLU  35  -1.320   4.288  -3.142
  246    HB2  GLU  35          2HB       GLU  35  -4.125   3.661  -2.201
  247    HB3  GLU  35          1HB       GLU  35  -3.626   5.249  -2.745
  248    HG2  GLU  35          2HG       GLU  35  -3.628   2.738  -4.412
  249    HG3  GLU  35          1HG       GLU  35  -4.832   4.024  -4.470
  250    H    CYS  36           H        CYS  36  -1.067   6.195  -2.041
  251    HA   CYS  36           HA       CYS  36  -0.596   5.942   0.803
  252    HB2  CYS  36          2HB       CYS  36  -0.245   8.356  -1.000
  253    HB3  CYS  36          1HB       CYS  36   0.420   8.150   0.609
  254    H    GLU  37           H        GLU  37  -2.503   6.044   1.945
  255    HA   GLU  37           HA       GLU  37  -4.519   7.949   1.125
  256    HB2  GLU  37          2HB       GLU  37  -4.538   5.714   3.145
  257    HB3  GLU  37          1HB       GLU  37  -5.875   6.841   2.955
  258    HG2  GLU  37          2HG       GLU  37  -4.809   5.172   0.696
  259    HG3  GLU  37          1HG       GLU  37  -6.103   4.636   1.764
  260    H    TYR  38           H        TYR  38  -4.327   9.901   1.846
  261    HA   TYR  38           HA       TYR  38  -2.858  10.409   4.273
  262    HB2  TYR  38          2HB       TYR  38  -3.882  12.244   2.122
  263    HB3  TYR  38          1HB       TYR  38  -3.163  12.841   3.611
  264    HD1  TYR  38          1HD       TYR  38  -2.493  10.976   0.494
  265    HD2  TYR  38          2HD       TYR  38  -0.804  12.753   3.965
  266    HE1  TYR  38          1HE       TYR  38  -0.263  10.774  -0.496
  267    HE2  TYR  38          2HE       TYR  38   1.428  12.551   2.990
  268    HH   TYR  38           HH       TYR  38   2.586  11.213   1.291
  269    H    HIS  39           H        HIS  39  -3.944  10.054   5.978
  270    HA   HIS  39           HA       HIS  39  -6.269  11.679   6.564
  271    HB2  HIS  39          2HB       HIS  39  -7.186   9.496   5.790
  272    HB3  HIS  39          1HB       HIS  39  -6.171   8.661   6.951
  273    HD1  HIS  39          1HD       HIS  39  -8.128   7.604   8.261
  274    HD2  HIS  39          2HD       HIS  39  -8.358  11.750   7.981
  275    HE1  HIS  39          1HE       HIS  39  -9.976   8.299   9.815
  276    H    GLY  40           H        GLY  40  -5.499  12.791   8.236
  277    HA2  GLY  40          2HA       GLY  40  -4.790  13.050  10.447
  278    HA3  GLY  40          1HA       GLY  40  -4.276  11.363  10.459
  279    H    ARG  41           H        ARG  41  -2.273  12.169  11.423
  280    HA   ARG  41           HA       ARG  41  -0.607  13.689   9.600
  281    HB2  ARG  41          2HB       ARG  41  -0.099  12.731  12.416
  282    HB3  ARG  41          1HB       ARG  41   1.108  13.555  11.451
  283    HG2  ARG  41          2HG       ARG  41  -0.380  15.517  11.288
  284    HG3  ARG  41          1HG       ARG  41  -1.549  14.691  12.317
  285    HD2  ARG  41          2HD       ARG  41  -0.157  16.282  13.579
  286    HD3  ARG  41          1HD       ARG  41   0.062  14.628  14.141
  287    HE   ARG  41           HE       ARG  41   1.965  15.255  12.168
  288   HH11  ARG  41          1HH1      ARG  41   1.271  16.028  15.574
  289   HH12  ARG  41          2HH1      ARG  41   2.907  16.217  15.999
  290   HH21  ARG  41          1HH2      ARG  41   4.233  15.540  12.808
  291   HH22  ARG  41          2HH2      ARG  41   4.583  15.930  14.430
  292    H    GLU  42           H        GLU  42  -1.171  10.480  10.492
  293    HA   GLU  42           HA       GLU  42   1.309   9.478   9.320
  294    HB2  GLU  42          2HB       GLU  42   0.350   8.376  11.331
  295    HB3  GLU  42          1HB       GLU  42  -1.128   8.055  10.442
  296    HG2  GLU  42          2HG       GLU  42   0.131   6.035  10.539
  297    HG3  GLU  42          1HG       GLU  42   0.198   6.632   8.883
  298    H    VAL  43           H        VAL  43   1.271   8.315   7.338
  299    HA   VAL  43           HA       VAL  43  -1.255   8.567   5.923
  300    HB   VAL  43           HB       VAL  43   0.354  10.015   4.787
  301   HG11  VAL  43          1HG1      VAL  43   2.069   7.592   4.490
  302   HG12  VAL  43          2HG1      VAL  43   2.417   8.998   5.503
  303   HG13  VAL  43          3HG1      VAL  43   2.368   9.158   3.743
  304   HG21  VAL  43          1HG2      VAL  43  -1.221   8.851   3.362
  305   HG22  VAL  43          2HG2      VAL  43  -0.090   7.508   3.186
  306   HG23  VAL  43          3HG2      VAL  43   0.317   9.099   2.538
  307    H    HIS  44           H        HIS  44  -2.187   6.860   5.214
  308    HA   HIS  44           HA       HIS  44  -0.948   4.358   6.048
  309    HB2  HIS  44          2HB       HIS  44  -3.831   5.098   5.575
  310    HB3  HIS  44          1HB       HIS  44  -3.289   3.485   5.989
  311    HD1  HIS  44          1HD       HIS  44  -4.375   3.290   8.315
  312    HD2  HIS  44          2HD       HIS  44  -2.060   6.718   7.881
  313    HE1  HIS  44          1HE       HIS  44  -4.261   4.341  10.576
  314    H    CYS  45           H        CYS  45  -0.238   3.046   4.570
  315    HA   CYS  45           HA       CYS  45  -1.081   3.343   1.831
  316    HB2  CYS  45          2HB       CYS  45   1.064   1.847   3.222
  317    HB3  CYS  45          1HB       CYS  45   0.475   1.211   1.692
  318    H    HIS  46           H        HIS  46  -2.879   2.435   1.245
  319    HA   HIS  46           HA       HIS  46  -3.557  -0.055   2.522
  320    HB2  HIS  46          2HB       HIS  46  -5.178   1.721   0.674
  321    HB3  HIS  46          1HB       HIS  46  -5.734   0.171   1.304
  322    HD1  HIS  46          1HD       HIS  46  -7.054   3.051   1.980
  323    HD2  HIS  46          2HD       HIS  46  -4.514   0.828   4.404
  324    HE1  HIS  46          1HE       HIS  46  -7.452   3.850   4.320
  325    H    CYS  47           H        CYS  47  -3.103  -1.811   1.683
  326    HA   CYS  47           HA       CYS  47  -1.812  -1.832  -0.924
  327    HB2  CYS  47          2HB       CYS  47  -1.880  -3.946   1.228
  328    HB3  CYS  47          1HB       CYS  47  -0.872  -3.954  -0.213
  329    H    TYR  48           H        TYR  48  -2.680  -2.751  -2.606
  330    HA   TYR  48           HA       TYR  48  -5.202  -4.232  -2.333
  331    HB2  TYR  48          2HB       TYR  48  -4.007  -2.815  -4.723
  332    HB3  TYR  48          1HB       TYR  48  -5.595  -3.562  -4.647
  333    HD1  TYR  48          1HD       TYR  48  -7.400  -2.464  -3.378
  334    HD2  TYR  48          2HD       TYR  48  -3.585  -0.641  -3.828
  335    HE1  TYR  48          1HE       TYR  48  -8.349  -0.320  -2.717
  336    HE2  TYR  48          2HE       TYR  48  -4.539   1.518  -3.158
  337    HH   TYR  48           HH       TYR  48  -6.730   2.652  -3.099
  338    H    GLY  49           H        GLY  49  -5.274  -6.280  -3.272
  339    HA2  GLY  49          2HA       GLY  49  -3.398  -7.129  -5.200
  340    HA3  GLY  49          1HA       GLY  49  -2.931  -7.710  -3.611
  341    H    ASP  50           H        ASP  50  -3.318  -9.598  -5.215
  342    HA   ASP  50           HA       ASP  50  -6.037 -10.585  -4.759
  343    HB2  ASP  50          2HB       ASP  50  -5.886 -10.015  -7.099
  344    HB3  ASP  50          1HB       ASP  50  -4.371 -10.896  -7.252
  345    H    TYR  51           H        TYR  51  -5.922 -12.235  -3.425
  346    HA   TYR  51           HA       TYR  51  -3.533 -13.748  -3.091
  347    HB2  TYR  51          2HB       TYR  51  -6.258 -13.908  -1.872
  348    HB3  TYR  51          1HB       TYR  51  -5.144 -15.254  -1.688
  349    HD1  TYR  51          1HD       TYR  51  -2.947 -14.863  -0.584
  350    HD2  TYR  51          2HD       TYR  51  -6.038 -11.945  -0.534
  351    HE1  TYR  51          1HE       TYR  51  -1.855 -13.759   1.294
  352    HE2  TYR  51          2HE       TYR  51  -4.937 -10.831   1.369
  353    HH   TYR  51           HH       TYR  51  -3.358 -11.418   3.172
  354    H    HIS  52           H        HIS  52  -2.887 -15.137  -4.445
  355    HA   HIS  52           HA       HIS  52  -4.743 -16.604  -6.086
  356    HB2  HIS  52          2HB       HIS  52  -2.675 -15.829  -7.156
  357    HB3  HIS  52          1HB       HIS  52  -1.715 -16.676  -5.957
  358    HD1  HIS  52          1HD       HIS  52  -1.011 -19.014  -6.564
  359    HD2  HIS  52          2HD       HIS  52  -4.234 -17.671  -8.811
  360    HE1  HIS  52          1HE       HIS  52  -1.453 -20.797  -8.256
  Start of MODEL   17
    1    H1   ALA   1           H        ALA   1  -0.120  -7.104 -12.926
    2    HA   ALA   1           HA       ALA   1  -2.485  -7.791 -13.065
    3    HB1  ALA   1          1HB       ALA   1  -1.066  -9.155 -11.593
    4    HB2  ALA   1          2HB       ALA   1  -2.708  -9.033 -10.962
    5    HB3  ALA   1          3HB       ALA   1  -1.416  -8.066 -10.250
    6    H    HIS   2           H        HIS   2  -4.581  -7.724 -11.812
    7    HA   HIS   2           HA       HIS   2  -5.079  -4.974 -11.129
    8    HB2  HIS   2          2HB       HIS   2  -6.945  -7.303 -11.551
    9    HB3  HIS   2          1HB       HIS   2  -7.505  -5.771 -10.891
   10    HD1  HIS   2          1HD       HIS   2  -7.569  -3.734 -12.520
   11    HD2  HIS   2          2HD       HIS   2  -6.370  -7.308 -14.249
   12    HE1  HIS   2          1HE       HIS   2  -7.583  -3.327 -14.994
   13    H    CYS   3           H        CYS   3  -4.483  -4.399  -9.269
   14    HA   CYS   3           HA       CYS   3  -5.248  -6.034  -6.984
   15    HB2  CYS   3          2HB       CYS   3  -3.007  -4.048  -7.331
   16    HB3  CYS   3          1HB       CYS   3  -3.437  -4.800  -5.797
   17    H    ASP   4           H        ASP   4  -7.221  -5.265  -6.579
   18    HA   ASP   4           HA       ASP   4  -7.472  -2.352  -6.212
   19    HB2  ASP   4          2HB       ASP   4  -8.800  -3.151  -8.088
   20    HB3  ASP   4          1HB       ASP   4  -9.574  -4.347  -7.059
   21    H    HIS   5           H        HIS   5  -7.807  -5.433  -4.713
   22    HA   HIS   5           HA       HIS   5  -9.579  -4.464  -2.625
   23    HB2  HIS   5          2HB       HIS   5  -8.256  -7.158  -2.990
   24    HB3  HIS   5          1HB       HIS   5  -9.465  -6.766  -1.778
   25    HD1  HIS   5          1HD       HIS   5  -9.111  -8.044  -5.182
   26    HD2  HIS   5          2HD       HIS   5 -12.048  -6.127  -2.956
   27    HE1  HIS   5          1HE       HIS   5 -11.279  -8.450  -6.398
   28    H    PHE   6           H        PHE   6  -8.920  -3.866  -0.606
   29    HA   PHE   6           HA       PHE   6  -6.173  -3.442  -0.018
   30    HB2  PHE   6          2HB       PHE   6  -8.540  -3.511   1.874
   31    HB3  PHE   6          1HB       PHE   6  -6.927  -3.011   2.326
   32    HD1  PHE   6          1HD       PHE   6  -5.962  -0.926   0.995
   33    HD2  PHE   6          2HD       PHE   6 -10.103  -1.968   1.220
   34    HE1  PHE   6          1HE       PHE   6  -6.588   1.391   0.494
   35    HE2  PHE   6          2HE       PHE   6 -10.706   0.353   0.701
   36    HZ   PHE   6           HZ       PHE   6  -8.947   2.032   0.342
   37    H    LEU   7           H        LEU   7  -4.718  -4.759   0.819
   38    HA   LEU   7           HA       LEU   7  -5.547  -7.375   1.915
   39    HB2  LEU   7          2HB       LEU   7  -2.778  -6.397   1.258
   40    HB3  LEU   7          1HB       LEU   7  -3.235  -8.037   1.636
   41    HG   LEU   7           HG       LEU   7  -3.787  -6.482  -0.868
   42   HD11  LEU   7          1HD1      LEU   7  -2.551  -8.251  -1.921
   43   HD12  LEU   7          2HD1      LEU   7  -2.479  -9.136  -0.402
   44   HD13  LEU   7          3HD1      LEU   7  -1.620  -7.611  -0.562
   45   HD21  LEU   7          1HD2      LEU   7  -5.057  -8.394  -1.654
   46   HD22  LEU   7          2HD2      LEU   7  -5.824  -7.652  -0.252
   47   HD23  LEU   7          3HD2      LEU   7  -4.901  -9.150  -0.072
   48    H    GLY   8           H        GLY   8  -4.369  -4.331   2.689
   49    HA2  GLY   8          2HA       GLY   8  -4.609  -4.185   5.292
   50    HA3  GLY   8          1HA       GLY   8  -3.092  -5.073   5.141
   51    H    GLU   9           H        GLU   9  -2.540  -2.891   6.238
   52    HA   GLU   9           HA       GLU   9  -1.633  -1.175   4.057
   53    HB2  GLU   9          2HB       GLU   9  -1.757   0.740   5.629
   54    HB3  GLU   9          1HB       GLU   9  -3.323   0.007   5.310
   55    HG2  GLU   9          2HG       GLU   9  -3.255  -1.134   7.427
   56    HG3  GLU   9          1HG       GLU   9  -1.641  -0.484   7.722
   57    H    ALA  10           H        ALA  10   0.378  -0.063   4.524
   58    HA   ALA  10           HA       ALA  10   2.076  -1.647   6.305
   59    HB1  ALA  10          1HB       ALA  10   2.533  -2.174   3.956
   60    HB2  ALA  10          2HB       ALA  10   3.900  -1.367   4.726
   61    HB3  ALA  10          3HB       ALA  10   2.846  -0.464   3.636
   62    HA   PRO  11           HA       PRO  11   2.933   2.325   8.055
   63    HB2  PRO  11          2HB       PRO  11   4.819   1.541   9.837
   64    HB3  PRO  11          1HB       PRO  11   3.097   1.220  10.067
   65    HG2  PRO  11          2HG       PRO  11   5.254  -0.600   9.100
   66    HG3  PRO  11          1HG       PRO  11   3.892  -0.967  10.168
   67    HD2  PRO  11          2HD       PRO  11   3.976  -1.579   7.497
   68    HD3  PRO  11          1HD       PRO  11   2.478  -1.332   8.413
   69    H    VAL  12           H        VAL  12   3.911   3.537   6.425
   70    HA   VAL  12           HA       VAL  12   6.786   3.639   6.542
   71    HB   VAL  12           HB       VAL  12   6.900   4.019   4.108
   72   HG11  VAL  12          1HG1      VAL  12   5.896   1.279   4.877
   73   HG12  VAL  12          2HG1      VAL  12   7.573   1.831   4.908
   74   HG13  VAL  12          3HG1      VAL  12   6.722   1.658   3.370
   75   HG21  VAL  12          1HG2      VAL  12   5.105   3.203   2.625
   76   HG22  VAL  12          2HG2      VAL  12   4.618   4.583   3.611
   77   HG23  VAL  12          3HG2      VAL  12   4.092   2.957   4.049
   78    H    TYR  13           H        TYR  13   7.539   5.702   6.410
   79    HA   TYR  13           HA       TYR  13   6.055   7.812   5.224
   80    HB2  TYR  13          2HB       TYR  13   4.993   7.709   7.506
   81    HB3  TYR  13          1HB       TYR  13   6.578   8.001   8.215
   82    HD1  TYR  13          1HD       TYR  13   7.266  10.216   8.609
   83    HD2  TYR  13          2HD       TYR  13   4.144   9.480   5.816
   84    HE1  TYR  13          1HE       TYR  13   6.919  12.623   8.371
   85    HE2  TYR  13          2HE       TYR  13   3.797  11.883   5.563
   86    HH   TYR  13           HH       TYR  13   5.994  14.173   6.742
   87    HA   PRO  14           HA       PRO  14   6.483   9.950   4.569
   88    HB2  PRO  14          2HB       PRO  14   8.147  10.250   2.187
   89    HB3  PRO  14          1HB       PRO  14   7.460  11.489   3.247
   90    HG2  PRO  14          2HG       PRO  14  10.124  10.944   3.143
   91    HG3  PRO  14          1HG       PRO  14   9.312  11.558   4.590
   92    HD2  PRO  14          2HD       PRO  14  10.154   8.768   3.931
   93    HD3  PRO  14          1HD       PRO  14  10.235   9.632   5.477
   94    H    CYS  15           H        CYS  15   4.990   9.349   3.054
   95    HA   CYS  15           HA       CYS  15   5.405   6.646   2.058
   96    HB2  CYS  15          2HB       CYS  15   3.497   7.182   3.653
   97    HB3  CYS  15          1HB       CYS  15   2.782   8.115   2.347
   98    H    LYS  16           H        LYS  16   6.186   6.756   0.066
   99    HA   LYS  16           HA       LYS  16   4.715   8.380  -1.871
  100    HB2  LYS  16          2HB       LYS  16   7.617   7.585  -1.818
  101    HB3  LYS  16          1HB       LYS  16   6.827   7.946  -3.334
  102    HG2  LYS  16          2HG       LYS  16   8.075   9.874  -2.527
  103    HG3  LYS  16          1HG       LYS  16   6.354  10.221  -2.576
  104    HD2  LYS  16          2HD       LYS  16   6.250   9.832  -0.141
  105    HD3  LYS  16          1HD       LYS  16   7.988   9.546  -0.121
  106    HE2  LYS  16          2HE       LYS  16   7.538  11.824   0.570
  107    HE3  LYS  16          1HE       LYS  16   8.343  11.828  -0.997
  108    HZ1  LYS  16          1HZ       LYS  16   6.525  13.407  -0.964
  109    HZ2  LYS  16          2HZ       LYS  16   5.435  12.207  -0.528
  110    HZ3  LYS  16          3HZ       LYS  16   6.157  12.160  -2.037
  111    H    GLU  17           H        GLU  17   4.278   7.397  -3.887
  112    HA   GLU  17           HA       GLU  17   3.127   4.918  -3.591
  113    HB2  GLU  17          2HB       GLU  17   2.746   4.908  -6.020
  114    HB3  GLU  17          1HB       GLU  17   2.331   6.441  -5.275
  115    HG2  GLU  17          2HG       GLU  17   4.389   7.427  -6.111
  116    HG3  GLU  17          1HG       GLU  17   4.869   5.874  -6.792
  117    H    LYS  18           H        LYS  18   6.304   5.615  -4.975
  118    HA   LYS  18           HA       LYS  18   6.678   2.974  -5.956
  119    HB2  LYS  18          2HB       LYS  18   8.755   5.064  -5.308
  120    HB3  LYS  18          1HB       LYS  18   9.049   3.589  -6.219
  121    HG2  LYS  18          2HG       LYS  18   7.236   5.855  -7.035
  122    HG3  LYS  18          1HG       LYS  18   8.819   5.469  -7.718
  123    HD2  LYS  18          2HD       LYS  18   7.959   3.318  -8.497
  124    HD3  LYS  18          1HD       LYS  18   6.393   3.684  -7.786
  125    HE2  LYS  18          2HE       LYS  18   6.144   5.588  -9.262
  126    HE3  LYS  18          1HE       LYS  18   7.722   5.260  -9.976
  127    HZ1  LYS  18          1HZ       LYS  18   5.947   4.336 -11.343
  128    HZ2  LYS  18          2HZ       LYS  18   5.387   3.432 -10.032
  129    HZ3  LYS  18          3HZ       LYS  18   6.878   3.095 -10.686
  130    H    ALA  19           H        ALA  19   7.763   4.557  -2.998
  131    HA   ALA  19           HA       ALA  19   9.086   2.322  -1.927
  132    HB1  ALA  19          1HB       ALA  19   7.682   4.575  -0.489
  133    HB2  ALA  19          2HB       ALA  19   9.377   4.562  -0.997
  134    HB3  ALA  19          3HB       ALA  19   8.814   3.438   0.240
  135    H    CYS  20           H        CYS  20   5.805   3.540  -1.533
  136    HA   CYS  20           HA       CYS  20   4.789   1.652   0.231
  137    HB2  CYS  20          2HB       CYS  20   3.632   3.726  -0.314
  138    HB3  CYS  20          1HB       CYS  20   3.417   3.200  -1.976
  139    H    LYS  21           H        LYS  21   4.673   1.674  -3.324
  140    HA   LYS  21           HA       LYS  21   3.283  -0.696  -3.711
  141    HB2  LYS  21          2HB       LYS  21   3.681   1.072  -5.375
  142    HB3  LYS  21          1HB       LYS  21   5.365   0.602  -5.451
  143    HG2  LYS  21          2HG       LYS  21   4.759  -1.526  -6.411
  144    HG3  LYS  21          1HG       LYS  21   3.041  -1.135  -6.240
  145    HD2  LYS  21          2HD       LYS  21   3.376   0.839  -7.663
  146    HD3  LYS  21          1HD       LYS  21   5.060   0.375  -7.880
  147    HE2  LYS  21          2HE       LYS  21   4.359  -1.684  -8.971
  148    HE3  LYS  21          1HE       LYS  21   2.667  -1.259  -8.698
  149    HZ1  LYS  21          1HZ       LYS  21   3.351  -0.697 -10.944
  150    HZ2  LYS  21          2HZ       LYS  21   4.584   0.295 -10.352
  151    HZ3  LYS  21          3HZ       LYS  21   2.987   0.701 -10.083
  152    H    SER  22           H        SER  22   6.760  -0.096  -3.321
  153    HA   SER  22           HA       SER  22   7.493  -2.762  -3.936
  154    HB2  SER  22          2HB       SER  22   9.069  -0.814  -4.072
  155    HB3  SER  22          1HB       SER  22   9.059  -0.735  -2.311
  156    HG   SER  22           HG       SER  22  10.043  -2.719  -2.202
  157    H    VAL  23           H        VAL  23   7.065  -0.972  -0.907
  158    HA   VAL  23           HA       VAL  23   7.683  -3.033   0.863
  159    HB   VAL  23           HB       VAL  23   5.900  -0.602   1.229
  160   HG11  VAL  23          1HG1      VAL  23   7.006  -2.432   3.355
  161   HG12  VAL  23          2HG1      VAL  23   5.309  -2.285   2.901
  162   HG13  VAL  23          3HG1      VAL  23   6.148  -0.918   3.637
  163   HG21  VAL  23          1HG2      VAL  23   8.208  -0.093   0.730
  164   HG22  VAL  23          2HG2      VAL  23   8.745  -1.171   2.018
  165   HG23  VAL  23          3HG2      VAL  23   7.855   0.295   2.414
  166    H    CYS  24           H        CYS  24   4.590  -2.120  -0.575
  167    HA   CYS  24           HA       CYS  24   3.036  -3.977   0.762
  168    HB2  CYS  24          2HB       CYS  24   2.714  -2.712  -1.936
  169    HB3  CYS  24          1HB       CYS  24   1.529  -3.845  -1.283
  170    H    LYS  25           H        LYS  25   4.894  -4.393  -2.220
  171    HA   LYS  25           HA       LYS  25   3.927  -7.054  -2.609
  172    HB2  LYS  25          2HB       LYS  25   6.349  -5.686  -3.804
  173    HB3  LYS  25          1HB       LYS  25   5.675  -7.221  -4.343
  174    HG2  LYS  25          2HG       LYS  25   3.578  -6.083  -4.913
  175    HG3  LYS  25          1HG       LYS  25   4.285  -4.552  -4.416
  176    HD2  LYS  25          2HD       LYS  25   4.395  -4.728  -6.821
  177    HD3  LYS  25          1HD       LYS  25   6.026  -4.842  -6.159
  178    HE2  LYS  25          2HE       LYS  25   6.007  -7.250  -6.435
  179    HE3  LYS  25          1HE       LYS  25   4.326  -7.205  -6.963
  180    HZ1  LYS  25          1HZ       LYS  25   6.628  -5.985  -8.406
  181    HZ2  LYS  25          2HZ       LYS  25   5.015  -5.943  -8.902
  182    HZ3  LYS  25          3HZ       LYS  25   5.816  -7.406  -8.825
  183    H    GLU  26           H        GLU  26   6.453  -5.648  -0.790
  184    HA   GLU  26           HA       GLU  26   7.988  -8.023  -0.333
  185    HB2  GLU  26          2HB       GLU  26   7.879  -5.366   1.114
  186    HB3  GLU  26          1HB       GLU  26   8.999  -6.650   1.538
  187    HG2  GLU  26          2HG       GLU  26  10.095  -6.480  -0.586
  188    HG3  GLU  26          1HG       GLU  26   8.862  -5.371  -1.179
  189    H    HIS  27           H        HIS  27   5.564  -6.232   1.517
  190    HA   HIS  27           HA       HIS  27   5.593  -8.147   3.672
  191    HB2  HIS  27          2HB       HIS  27   3.836  -5.735   3.172
  192    HB3  HIS  27          1HB       HIS  27   3.649  -6.783   4.565
  193    HD1  HIS  27          1HD       HIS  27   4.562  -5.521   6.567
  194    HD2  HIS  27          2HD       HIS  27   6.852  -4.923   3.145
  195    HE1  HIS  27          1HE       HIS  27   6.424  -4.011   7.246
  196    H    TYR  28           H        TYR  28   3.534  -7.522   0.884
  197    HA   TYR  28           HA       TYR  28   1.898  -9.852   1.602
  198    HB2  TYR  28          2HB       TYR  28   0.978  -7.372   0.103
  199    HB3  TYR  28          1HB       TYR  28  -0.026  -8.722   0.601
  200    HD1  TYR  28          1HD       TYR  28   1.866  -5.792   1.792
  201    HD2  TYR  28          2HD       TYR  28  -1.015  -8.744   2.807
  202    HE1  TYR  28          1HE       TYR  28   1.348  -4.556   3.831
  203    HE2  TYR  28          2HE       TYR  28  -1.552  -7.507   4.865
  204    HH   TYR  28           HH       TYR  28  -0.366  -4.322   5.506
  205    H    HIS  29           H        HIS  29   2.442 -11.388   0.117
  206    HA   HIS  29           HA       HIS  29   3.775 -10.591  -2.275
  207    HB2  HIS  29          2HB       HIS  29   3.111 -13.315  -1.199
  208    HB3  HIS  29          1HB       HIS  29   3.841 -13.089  -2.788
  209    HD1  HIS  29          1HD       HIS  29   4.714 -13.234   0.809
  210    HD2  HIS  29          2HD       HIS  29   6.391 -11.856  -2.732
  211    HE1  HIS  29          1HE       HIS  29   7.139 -12.828   1.304
  212    H    HIS  30           H        HIS  30   0.529 -11.196  -1.573
  213    HA   HIS  30           HA       HIS  30  -0.068 -11.532  -4.397
  214    HB2  HIS  30          2HB       HIS  30  -1.875 -11.571  -1.981
  215    HB3  HIS  30          1HB       HIS  30  -2.500 -11.568  -3.624
  216    HD1  HIS  30          1HD       HIS  30  -2.122 -13.761  -5.048
  217    HD2  HIS  30          2HD       HIS  30  -0.805 -13.964  -1.099
  218    HE1  HIS  30          1HE       HIS  30  -1.680 -16.194  -4.585
  219    H    ALA  31           H        ALA  31   0.890  -9.055  -2.780
  220    HA   ALA  31           HA       ALA  31  -1.060  -7.135  -3.801
  221    HB1  ALA  31          1HB       ALA  31   0.289  -5.459  -2.618
  222    HB2  ALA  31          2HB       ALA  31   1.412  -6.720  -2.110
  223    HB3  ALA  31          3HB       ALA  31  -0.249  -6.724  -1.520
  224    H    CYS  32           H        CYS  32  -0.590  -5.899  -5.489
  225    HA   CYS  32           HA       CYS  32   2.153  -6.100  -6.542
  226    HB2  CYS  32          2HB       CYS  32   1.329  -6.015  -8.794
  227    HB3  CYS  32          1HB       CYS  32   0.505  -7.318  -7.944
  228    H    LYS  33           H        LYS  33  -0.392  -4.085  -5.510
  229    HA   LYS  33           HA       LYS  33   1.114  -1.754  -6.341
  230    HB2  LYS  33          2HB       LYS  33  -0.611  -2.029  -8.035
  231    HB3  LYS  33          1HB       LYS  33  -1.841  -2.160  -6.790
  232    HG2  LYS  33          2HG       LYS  33  -1.473   0.147  -6.139
  233    HG3  LYS  33          1HG       LYS  33  -0.162   0.285  -7.313
  234    HD2  LYS  33          2HD       LYS  33  -1.696  -0.078  -9.131
  235    HD3  LYS  33          1HD       LYS  33  -3.023  -0.362  -8.008
  236    HE2  LYS  33          2HE       LYS  33  -1.483   2.221  -8.295
  237    HE3  LYS  33          1HE       LYS  33  -3.062   1.907  -8.996
  238    HZ1  LYS  33          1HZ       LYS  33  -3.213   3.162  -6.939
  239    HZ2  LYS  33          2HZ       LYS  33  -2.444   1.964  -6.087
  240    HZ3  LYS  33          3HZ       LYS  33  -3.981   1.674  -6.762
  241    H    GLY  34           H        GLY  34   1.254  -0.269  -4.846
  242    HA2  GLY  34          2HA       GLY  34  -0.551  -0.400  -2.550
  243    HA3  GLY  34          1HA       GLY  34   1.184  -0.085  -2.384
  244    H    GLU  35           H        GLU  35  -1.084   1.677  -1.749
  245    HA   GLU  35           HA       GLU  35  -0.181   3.941  -3.372
  246    HB2  GLU  35          2HB       GLU  35  -2.371   2.896  -4.245
  247    HB3  GLU  35          1HB       GLU  35  -3.099   3.530  -2.767
  248    HG2  GLU  35          2HG       GLU  35  -3.522   5.032  -4.570
  249    HG3  GLU  35          1HG       GLU  35  -2.376   5.788  -3.459
  250    H    CYS  36           H        CYS  36  -0.028   5.772  -2.152
  251    HA   CYS  36           HA       CYS  36  -0.528   5.486   0.680
  252    HB2  CYS  36          2HB       CYS  36   0.773   7.724  -0.883
  253    HB3  CYS  36          1HB       CYS  36   0.691   7.616   0.873
  254    H    GLU  37           H        GLU  37  -2.257   6.230   1.621
  255    HA   GLU  37           HA       GLU  37  -3.852   8.254   0.221
  256    HB2  GLU  37          2HB       GLU  37  -4.977   5.807   1.605
  257    HB3  GLU  37          1HB       GLU  37  -5.913   7.089   0.858
  258    HG2  GLU  37          2HG       GLU  37  -4.874   6.465  -1.332
  259    HG3  GLU  37          1HG       GLU  37  -4.137   5.087  -0.520
  260    H    TYR  38           H        TYR  38  -4.879   9.687   1.516
  261    HA   TYR  38           HA       TYR  38  -3.847   9.916   4.203
  262    HB2  TYR  38          2HB       TYR  38  -5.602  11.718   2.529
  263    HB3  TYR  38          1HB       TYR  38  -5.155  12.079   4.191
  264    HD1  TYR  38          1HD       TYR  38  -2.934  12.746   4.748
  265    HD2  TYR  38          2HD       TYR  38  -3.936  11.848   0.728
  266    HE1  TYR  38          1HE       TYR  38  -0.881  13.823   4.015
  267    HE2  TYR  38          2HE       TYR  38  -1.862  12.914  -0.031
  268    HH   TYR  38           HH       TYR  38  -0.298  14.670   0.845
  269    H    HIS  39           H        HIS  39  -4.794   8.603   5.588
  270    HA   HIS  39           HA       HIS  39  -7.715   8.421   5.488
  271    HB2  HIS  39          2HB       HIS  39  -6.545   6.321   4.852
  272    HB3  HIS  39          1HB       HIS  39  -5.742   6.316   6.412
  273    HD1  HIS  39          1HD       HIS  39  -9.033   5.511   4.767
  274    HD2  HIS  39          2HD       HIS  39  -7.353   5.541   8.572
  275    HE1  HIS  39          1HE       HIS  39 -10.563   4.161   6.198
  276    H    GLY  40           H        GLY  40  -8.288   9.886   6.957
  277    HA2  GLY  40          2HA       GLY  40  -8.874  10.443   9.115
  278    HA3  GLY  40          1HA       GLY  40  -7.710   9.268   9.715
  279    H    ARG  41           H        ARG  41  -5.739   9.915  10.283
  280    HA   ARG  41           HA       ARG  41  -5.293  12.815  10.425
  281    HB2  ARG  41          2HB       ARG  41  -3.891  10.550  11.852
  282    HB3  ARG  41          1HB       ARG  41  -3.666  12.262  12.153
  283    HG2  ARG  41          2HG       ARG  41  -6.273  10.833  12.542
  284    HG3  ARG  41          1HG       ARG  41  -5.068  11.032  13.815
  285    HD2  ARG  41          2HD       ARG  41  -5.262  13.471  13.577
  286    HD3  ARG  41          1HD       ARG  41  -6.481  13.240  12.327
  287    HE   ARG  41           HE       ARG  41  -7.941  12.321  13.948
  288   HH11  ARG  41          1HH1      ARG  41  -5.035  13.749  15.389
  289   HH12  ARG  41          2HH1      ARG  41  -5.768  14.071  16.889
  290   HH21  ARG  41          1HH2      ARG  41  -8.925  12.729  16.018
  291   HH22  ARG  41          2HH2      ARG  41  -8.041  13.473  17.268
  292    H    GLU  42           H        GLU  42  -3.546   9.806   9.799
  293    HA   GLU  42           HA       GLU  42  -1.281  11.263   8.666
  294    HB2  GLU  42          2HB       GLU  42  -1.617   8.410   9.575
  295    HB3  GLU  42          1HB       GLU  42  -0.124   9.112   8.979
  296    HG2  GLU  42          2HG       GLU  42  -1.593  10.071  11.426
  297    HG3  GLU  42          1HG       GLU  42  -0.259   8.922  11.455
  298    H    VAL  43           H        VAL  43  -0.215  10.202   6.809
  299    HA   VAL  43           HA       VAL  43  -2.145   9.038   4.951
  300    HB   VAL  43           HB       VAL  43  -0.772  11.030   4.153
  301   HG11  VAL  43          1HG1      VAL  43   1.324  10.571   5.297
  302   HG12  VAL  43          2HG1      VAL  43   1.567  10.713   3.546
  303   HG13  VAL  43          3HG1      VAL  43   1.521   9.120   4.305
  304   HG21  VAL  43          1HG2      VAL  43  -0.313   8.458   2.656
  305   HG22  VAL  43          2HG2      VAL  43  -0.127  10.077   1.979
  306   HG23  VAL  43          3HG2      VAL  43  -1.714   9.521   2.513
  307    H    HIS  44           H        HIS  44  -1.867   6.924   4.266
  308    HA   HIS  44           HA       HIS  44   0.557   5.641   5.183
  309    HB2  HIS  44          2HB       HIS  44  -1.856   5.344   6.584
  310    HB3  HIS  44          1HB       HIS  44  -1.623   3.839   5.696
  311    HD1  HIS  44          1HD       HIS  44  -1.108   2.615   8.018
  312    HD2  HIS  44          2HD       HIS  44   1.550   5.642   6.975
  313    HE1  HIS  44          1HE       HIS  44   0.881   2.360   9.532
  314    H    CYS  45           H        CYS  45   0.843   3.515   4.383
  315    HA   CYS  45           HA       CYS  45   0.339   3.478   1.552
  316    HB2  CYS  45          2HB       CYS  45   2.571   3.119   2.407
  317    HB3  CYS  45          1HB       CYS  45   2.004   1.814   3.437
  318    H    HIS  46           H        HIS  46  -1.508   2.470   0.873
  319    HA   HIS  46           HA       HIS  46  -2.486   0.247   2.462
  320    HB2  HIS  46          2HB       HIS  46  -3.838   1.949   0.359
  321    HB3  HIS  46          1HB       HIS  46  -4.576   0.558   1.142
  322    HD1  HIS  46          1HD       HIS  46  -5.741   3.455   1.341
  323    HD2  HIS  46          2HD       HIS  46  -3.290   1.659   4.162
  324    HE1  HIS  46          1HE       HIS  46  -6.284   4.572   3.543
  325    H    CYS  47           H        CYS  47  -2.309  -1.718   1.716
  326    HA   CYS  47           HA       CYS  47  -1.018  -2.061  -0.859
  327    HB2  CYS  47          2HB       CYS  47  -1.402  -3.976   1.438
  328    HB3  CYS  47          1HB       CYS  47  -0.447  -4.271  -0.013
  329    H    TYR  48           H        TYR  48  -2.036  -2.875  -2.545
  330    HA   TYR  48           HA       TYR  48  -4.706  -4.010  -2.116
  331    HB2  TYR  48          2HB       TYR  48  -3.556  -2.738  -4.587
  332    HB3  TYR  48          1HB       TYR  48  -5.193  -3.328  -4.383
  333    HD1  TYR  48          1HD       TYR  48  -6.738  -2.093  -2.830
  334    HD2  TYR  48          2HD       TYR  48  -2.919  -0.606  -3.934
  335    HE1  TYR  48          1HE       TYR  48  -7.439   0.159  -2.182
  336    HE2  TYR  48          2HE       TYR  48  -3.601   1.641  -3.273
  337    HH   TYR  48           HH       TYR  48  -6.171   2.470  -1.450
  338    H    GLY  49           H        GLY  49  -5.238  -5.852  -3.188
  339    HA2  GLY  49          2HA       GLY  49  -3.924  -7.076  -5.290
  340    HA3  GLY  49          1HA       GLY  49  -3.223  -7.731  -3.814
  341    H    ASP  50           H        ASP  50  -4.070  -9.740  -3.886
  342    HA   ASP  50           HA       ASP  50  -7.010  -9.948  -3.772
  343    HB2  ASP  50          2HB       ASP  50  -6.050 -11.204  -5.659
  344    HB3  ASP  50          1HB       ASP  50  -4.964 -12.036  -4.549
  345    H    TYR  51           H        TYR  51  -7.845 -10.634  -1.855
  346    HA   TYR  51           HA       TYR  51  -5.862 -11.551   0.054
  347    HB2  TYR  51          2HB       TYR  51  -7.243 -10.684   1.874
  348    HB3  TYR  51          1HB       TYR  51  -6.779  -9.411   0.770
  349    HD1  TYR  51          1HD       TYR  51  -8.444  -8.037  -0.217
  350    HD2  TYR  51          2HD       TYR  51  -9.594 -11.586   1.815
  351    HE1  TYR  51          1HE       TYR  51 -10.792  -7.307  -0.267
  352    HE2  TYR  51          2HE       TYR  51 -11.926 -10.879   1.766
  353    HH   TYR  51           HH       TYR  51 -13.225  -8.870   1.579
  354    H    HIS  52           H        HIS  52  -6.262 -13.123   1.386
  355    HA   HIS  52           HA       HIS  52  -8.657 -14.507   1.650
  356    HB2  HIS  52          2HB       HIS  52  -7.780 -16.729   0.697
  357    HB3  HIS  52          1HB       HIS  52  -8.253 -15.536  -0.498
  358    HD1  HIS  52          1HD       HIS  52  -6.420 -14.811  -2.208
  359    HD2  HIS  52          2HD       HIS  52  -4.988 -17.137   0.939
  360    HE1  HIS  52          1HE       HIS  52  -4.087 -15.441  -2.830
  Start of MODEL   18
    1    H1   ALA   1           H        ALA   1  -3.568 -10.596 -12.867
    2    HA   ALA   1           HA       ALA   1  -4.183 -10.381 -10.205
    3    HB1  ALA   1          1HB       ALA   1  -1.905 -10.181 -11.108
    4    HB2  ALA   1          2HB       ALA   1  -2.270  -8.884  -9.968
    5    HB3  ALA   1          3HB       ALA   1  -2.291  -8.566 -11.701
    6    H    HIS   2           H        HIS   2  -5.965  -9.450  -9.462
    7    HA   HIS   2           HA       HIS   2  -6.697  -6.811 -10.414
    8    HB2  HIS   2          2HB       HIS   2  -8.149  -9.010  -9.103
    9    HB3  HIS   2          1HB       HIS   2  -8.620  -7.385  -8.620
   10    HD1  HIS   2          1HD       HIS   2 -10.338  -6.359 -10.026
   11    HD2  HIS   2          2HD       HIS   2  -8.162  -9.224 -12.091
   12    HE1  HIS   2          1HE       HIS   2 -11.408  -6.533 -12.286
   13    H    CYS   3           H        CYS   3  -6.838  -5.070  -9.180
   14    HA   CYS   3           HA       CYS   3  -5.634  -5.286  -6.524
   15    HB2  CYS   3          2HB       CYS   3  -5.418  -2.971  -8.458
   16    HB3  CYS   3          1HB       CYS   3  -4.654  -3.081  -6.882
   17    H    ASP   4           H        ASP   4  -7.947  -5.662  -6.059
   18    HA   ASP   4           HA       ASP   4  -9.414  -3.108  -5.917
   19    HB2  ASP   4          2HB       ASP   4 -10.505  -5.875  -6.378
   20    HB3  ASP   4          1HB       ASP   4 -11.508  -4.525  -5.878
   21    H    HIS   5           H        HIS   5  -8.835  -6.191  -4.333
   22    HA   HIS   5           HA       HIS   5 -10.259  -5.311  -1.995
   23    HB2  HIS   5          2HB       HIS   5 -10.301  -7.702  -2.781
   24    HB3  HIS   5          1HB       HIS   5  -8.602  -7.819  -2.334
   25    HD1  HIS   5          1HD       HIS   5  -8.079  -8.158   0.193
   26    HD2  HIS   5          2HD       HIS   5 -12.082  -7.434  -0.628
   27    HE1  HIS   5          1HE       HIS   5  -9.315  -8.570   2.344
   28    H    PHE   6           H        PHE   6  -9.394  -4.572  -0.158
   29    HA   PHE   6           HA       PHE   6  -6.611  -3.829  -0.213
   30    HB2  PHE   6          2HB       PHE   6  -8.785  -3.271   1.810
   31    HB3  PHE   6          1HB       PHE   6  -7.146  -2.648   1.900
   32    HD1  PHE   6          1HD       PHE   6  -6.366  -0.987   0.217
   33    HD2  PHE   6          2HD       PHE   6 -10.426  -2.268   0.432
   34    HE1  PHE   6          1HE       PHE   6  -7.062   0.972  -1.074
   35    HE2  PHE   6          2HE       PHE   6 -11.116  -0.306  -0.866
   36    HZ   PHE   6           HZ       PHE   6  -9.441   1.316  -1.619
   37    H    LEU   7           H        LEU   7  -5.195  -5.139   0.506
   38    HA   LEU   7           HA       LEU   7  -5.793  -7.459   2.101
   39    HB2  LEU   7          2HB       LEU   7  -3.144  -6.232   1.346
   40    HB3  LEU   7          1HB       LEU   7  -3.364  -7.817   2.055
   41    HG   LEU   7           HG       LEU   7  -4.360  -6.981  -0.667
   42   HD11  LEU   7          1HD1      LEU   7  -2.014  -8.648   0.187
   43   HD12  LEU   7          2HD1      LEU   7  -1.971  -7.085  -0.649
   44   HD13  LEU   7          3HD1      LEU   7  -2.600  -8.514  -1.464
   45   HD21  LEU   7          1HD2      LEU   7  -4.320  -9.671   0.702
   46   HD22  LEU   7          2HD2      LEU   7  -4.785  -9.375  -0.971
   47   HD23  LEU   7          3HD2      LEU   7  -5.756  -8.711   0.339
   48    H    GLY   8           H        GLY   8  -4.480  -4.277   2.575
   49    HA2  GLY   8          2HA       GLY   8  -5.183  -3.884   5.126
   50    HA3  GLY   8          1HA       GLY   8  -3.639  -4.723   5.246
   51    H    GLU   9           H        GLU   9  -3.399  -2.376   6.245
   52    HA   GLU   9           HA       GLU   9  -2.370  -0.713   4.099
   53    HB2  GLU   9          2HB       GLU   9  -2.522   1.173   5.657
   54    HB3  GLU   9          1HB       GLU   9  -4.081   0.402   5.476
   55    HG2  GLU   9          2HG       GLU   9  -2.229  -0.050   7.818
   56    HG3  GLU   9          1HG       GLU   9  -3.524   1.137   7.799
   57    H    ALA  10           H        ALA  10  -0.284  -0.025   4.195
   58    HA   ALA  10           HA       ALA  10   1.386  -1.232   6.286
   59    HB1  ALA  10          1HB       ALA  10   1.702  -2.377   4.139
   60    HB2  ALA  10          2HB       ALA  10   3.149  -1.497   4.636
   61    HB3  ALA  10          3HB       ALA  10   2.103  -0.831   3.379
   62    HA   PRO  11           HA       PRO  11   2.640   3.022   6.795
   63    HB2  PRO  11          2HB       PRO  11   4.495   2.615   8.712
   64    HB3  PRO  11          1HB       PRO  11   2.765   2.494   9.052
   65    HG2  PRO  11          2HG       PRO  11   4.767   0.325   8.579
   66    HG3  PRO  11          1HG       PRO  11   3.440   0.386   9.756
   67    HD2  PRO  11          2HD       PRO  11   3.355  -0.961   7.365
   68    HD3  PRO  11          1HD       PRO  11   1.921  -0.369   8.222
   69    H    VAL  12           H        VAL  12   4.235   4.284   5.907
   70    HA   VAL  12           HA       VAL  12   6.755   3.037   5.131
   71    HB   VAL  12           HB       VAL  12   5.209   2.793   3.205
   72   HG11  VAL  12          1HG1      VAL  12   4.508   4.779   1.943
   73   HG12  VAL  12          2HG1      VAL  12   5.061   5.798   3.281
   74   HG13  VAL  12          3HG1      VAL  12   3.753   4.629   3.522
   75   HG21  VAL  12          1HG2      VAL  12   7.437   4.772   2.715
   76   HG22  VAL  12          2HG2      VAL  12   6.649   3.794   1.476
   77   HG23  VAL  12          3HG2      VAL  12   7.592   3.016   2.748
   78    H    TYR  13           H        TYR  13   8.466   4.459   5.105
   79    HA   TYR  13           HA       TYR  13   7.953   7.271   5.020
   80    HB2  TYR  13          2HB       TYR  13   7.954   6.887   7.442
   81    HB3  TYR  13          1HB       TYR  13   9.464   5.996   7.327
   82    HD1  TYR  13          1HD       TYR  13  11.560   7.117   7.269
   83    HD2  TYR  13          2HD       TYR  13   7.957   9.371   7.099
   84    HE1  TYR  13          1HE       TYR  13  12.839   9.163   7.637
   85    HE2  TYR  13          2HE       TYR  13   9.226  11.432   7.469
   86    HH   TYR  13           HH       TYR  13  11.454  12.057   8.520
   87    HA   PRO  14           HA       PRO  14   8.657   8.869   4.273
   88    HB2  PRO  14          2HB       PRO  14   9.677   9.826   1.778
   89    HB3  PRO  14          1HB       PRO  14   9.962  10.496   3.384
   90    HG2  PRO  14          2HG       PRO  14  11.908   9.322   1.815
   91    HG3  PRO  14          1HG       PRO  14  11.990   9.481   3.578
   92    HD2  PRO  14          2HD       PRO  14  11.190   7.118   1.923
   93    HD3  PRO  14          1HD       PRO  14  12.181   7.178   3.398
   94    H    CYS  15           H        CYS  15   6.909   9.510   2.810
   95    HA   CYS  15           HA       CYS  15   6.011   7.283   1.287
   96    HB2  CYS  15          2HB       CYS  15   4.264   8.297   2.484
   97    HB3  CYS  15          1HB       CYS  15   4.681   9.917   1.955
   98    H    LYS  16           H        LYS  16   7.325   7.035  -0.313
   99    HA   LYS  16           HA       LYS  16   6.852   8.802  -2.610
  100    HB2  LYS  16          2HB       LYS  16   9.256   7.285  -1.730
  101    HB3  LYS  16          1HB       LYS  16   8.866   7.142  -3.432
  102    HG2  LYS  16          2HG       LYS  16  10.498   8.890  -3.091
  103    HG3  LYS  16          1HG       LYS  16   8.986   9.577  -3.661
  104    HD2  LYS  16          2HD       LYS  16   8.448  10.229  -1.336
  105    HD3  LYS  16          1HD       LYS  16  10.012   9.589  -0.819
  106    HE2  LYS  16          2HE       LYS  16  11.156  11.156  -2.300
  107    HE3  LYS  16          1HE       LYS  16   9.605  11.783  -2.849
  108    HZ1  LYS  16          1HZ       LYS  16  10.699  11.980  -0.091
  109    HZ2  LYS  16          2HZ       LYS  16   9.186  12.543  -0.572
  110    HZ3  LYS  16          3HZ       LYS  16  10.580  13.213  -1.215
  111    H    GLU  17           H        GLU  17   6.052   7.709  -4.450
  112    HA   GLU  17           HA       GLU  17   4.252   5.641  -3.843
  113    HB2  GLU  17          2HB       GLU  17   5.248   6.453  -6.566
  114    HB3  GLU  17          1HB       GLU  17   3.793   5.532  -6.225
  115    HG2  GLU  17          2HG       GLU  17   2.915   7.466  -4.975
  116    HG3  GLU  17          1HG       GLU  17   4.345   8.377  -5.463
  117    H    LYS  18           H        LYS  18   7.338   5.589  -5.482
  118    HA   LYS  18           HA       LYS  18   7.390   2.881  -6.227
  119    HB2  LYS  18          2HB       LYS  18   9.711   4.663  -5.478
  120    HB3  LYS  18          1HB       LYS  18   9.839   3.142  -6.349
  121    HG2  LYS  18          2HG       LYS  18   8.598   4.068  -8.207
  122    HG3  LYS  18          1HG       LYS  18   8.363   5.577  -7.334
  123    HD2  LYS  18          2HD       LYS  18  10.822   5.874  -7.277
  124    HD3  LYS  18          1HD       LYS  18  10.993   4.405  -8.231
  125    HE2  LYS  18          2HE       LYS  18   9.712   5.409 -10.043
  126    HE3  LYS  18          1HE       LYS  18   9.494   6.877  -9.090
  127    HZ1  LYS  18          1HZ       LYS  18  12.084   5.794 -10.056
  128    HZ2  LYS  18          2HZ       LYS  18  11.893   7.171  -9.107
  129    HZ3  LYS  18          3HZ       LYS  18  11.279   7.147 -10.659
  130    H    ALA  19           H        ALA  19   8.652   4.489  -3.351
  131    HA   ALA  19           HA       ALA  19   9.595   2.161  -2.021
  132    HB1  ALA  19          1HB       ALA  19   9.712   3.577  -0.034
  133    HB2  ALA  19          2HB       ALA  19   8.708   4.791  -0.812
  134    HB3  ALA  19          3HB       ALA  19  10.327   4.457  -1.435
  135    H    CYS  20           H        CYS  20   6.603   3.967  -1.900
  136    HA   CYS  20           HA       CYS  20   5.272   2.656   0.138
  137    HB2  CYS  20          2HB       CYS  20   4.463   4.726  -0.827
  138    HB3  CYS  20          1HB       CYS  20   4.211   3.940  -2.378
  139    H    LYS  21           H        LYS  21   5.052   2.005  -3.377
  140    HA   LYS  21           HA       LYS  21   3.417  -0.252  -3.233
  141    HB2  LYS  21          2HB       LYS  21   3.908   1.024  -5.294
  142    HB3  LYS  21          1HB       LYS  21   5.554   0.419  -5.268
  143    HG2  LYS  21          2HG       LYS  21   4.745  -1.850  -5.635
  144    HG3  LYS  21          1HG       LYS  21   3.077  -1.273  -5.600
  145    HD2  LYS  21          2HD       LYS  21   3.574   0.178  -7.545
  146    HD3  LYS  21          1HD       LYS  21   5.203  -0.483  -7.593
  147    HE2  LYS  21          2HE       LYS  21   2.678  -2.109  -7.901
  148    HE3  LYS  21          1HE       LYS  21   3.661  -1.523  -9.239
  149    HZ1  LYS  21          1HZ       LYS  21   4.151  -3.830  -8.674
  150    HZ2  LYS  21          2HZ       LYS  21   4.630  -3.380  -7.123
  151    HZ3  LYS  21          3HZ       LYS  21   5.491  -2.852  -8.454
  152    H    SER  22           H        SER  22   6.882   0.118  -3.018
  153    HA   SER  22           HA       SER  22   7.537  -2.617  -3.101
  154    HB2  SER  22          2HB       SER  22   9.037  -0.259  -1.981
  155    HB3  SER  22          1HB       SER  22   9.751  -1.841  -2.278
  156    HG   SER  22           HG       SER  22   8.815   0.095  -4.049
  157    H    VAL  23           H        VAL  23   7.335  -0.372  -0.306
  158    HA   VAL  23           HA       VAL  23   7.761  -2.305   1.683
  159    HB   VAL  23           HB       VAL  23   6.309   0.367   1.826
  160   HG11  VAL  23          1HG1      VAL  23   6.650   0.263   4.254
  161   HG12  VAL  23          2HG1      VAL  23   7.288  -1.374   4.085
  162   HG13  VAL  23          3HG1      VAL  23   5.602  -1.043   3.696
  163   HG21  VAL  23          1HG2      VAL  23   9.109  -0.458   2.563
  164   HG22  VAL  23          2HG2      VAL  23   8.409   1.126   2.862
  165   HG23  VAL  23          3HG2      VAL  23   8.634   0.561   1.203
  166    H    CYS  24           H        CYS  24   4.855  -1.175   0.137
  167    HA   CYS  24           HA       CYS  24   2.890  -2.477   1.592
  168    HB2  CYS  24          2HB       CYS  24   2.428  -0.827  -0.121
  169    HB3  CYS  24          1HB       CYS  24   3.129  -1.859  -1.352
  170    H    LYS  25           H        LYS  25   4.835  -3.667  -1.166
  171    HA   LYS  25           HA       LYS  25   3.678  -6.274  -1.182
  172    HB2  LYS  25          2HB       LYS  25   6.230  -5.232  -2.407
  173    HB3  LYS  25          1HB       LYS  25   5.583  -6.844  -2.671
  174    HG2  LYS  25          2HG       LYS  25   3.634  -5.935  -3.756
  175    HG3  LYS  25          1HG       LYS  25   4.145  -4.292  -3.365
  176    HD2  LYS  25          2HD       LYS  25   4.674  -4.784  -5.682
  177    HD3  LYS  25          1HD       LYS  25   6.153  -4.609  -4.744
  178    HE2  LYS  25          2HE       LYS  25   6.317  -7.077  -4.599
  179    HE3  LYS  25          1HE       LYS  25   4.873  -7.207  -5.596
  180    HZ1  LYS  25          1HZ       LYS  25   7.407  -5.907  -6.454
  181    HZ2  LYS  25          2HZ       LYS  25   6.044  -6.147  -7.415
  182    HZ3  LYS  25          3HZ       LYS  25   6.943  -7.458  -6.867
  183    H    GLU  26           H        GLU  26   6.160  -4.807   0.665
  184    HA   GLU  26           HA       GLU  26   7.518  -7.229   1.367
  185    HB2  GLU  26          2HB       GLU  26   7.461  -4.580   2.824
  186    HB3  GLU  26          1HB       GLU  26   8.590  -5.893   3.125
  187    HG2  GLU  26          2HG       GLU  26   8.365  -4.313   0.577
  188    HG3  GLU  26          1HG       GLU  26   9.592  -4.095   1.818
  189    H    HIS  27           H        HIS  27   5.033  -5.224   2.806
  190    HA   HIS  27           HA       HIS  27   4.687  -6.950   5.076
  191    HB2  HIS  27          2HB       HIS  27   2.985  -4.691   4.005
  192    HB3  HIS  27          1HB       HIS  27   2.549  -5.619   5.427
  193    HD1  HIS  27          1HD       HIS  27   3.344  -4.624   7.592
  194    HD2  HIS  27          2HD       HIS  27   5.566  -3.341   4.331
  195    HE1  HIS  27          1HE       HIS  27   4.939  -2.899   8.485
  196    H    TYR  28           H        TYR  28   2.957  -6.406   2.037
  197    HA   TYR  28           HA       TYR  28   1.511  -8.918   2.485
  198    HB2  TYR  28          2HB       TYR  28   0.509  -6.472   0.992
  199    HB3  TYR  28          1HB       TYR  28  -0.397  -7.944   1.322
  200    HD1  TYR  28          1HD       TYR  28  -1.244  -8.387   3.607
  201    HD2  TYR  28          2HD       TYR  28   0.801  -4.782   2.662
  202    HE1  TYR  28          1HE       TYR  28  -2.038  -7.388   5.702
  203    HE2  TYR  28          2HE       TYR  28   0.030  -3.772   4.734
  204    HH   TYR  28           HH       TYR  28  -1.612  -4.017   6.456
  205    H    HIS  29           H        HIS  29   2.543 -10.301   1.180
  206    HA   HIS  29           HA       HIS  29   4.076  -9.511  -1.055
  207    HB2  HIS  29          2HB       HIS  29   3.140 -12.283  -0.279
  208    HB3  HIS  29          1HB       HIS  29   4.321 -11.942  -1.531
  209    HD1  HIS  29          1HD       HIS  29   4.972 -13.682   1.011
  210    HD2  HIS  29          2HD       HIS  29   5.820  -9.635   0.589
  211    HE1  HIS  29          1HE       HIS  29   6.892 -13.211   2.570
  212    H    HIS  30           H        HIS  30   0.753 -10.337  -0.761
  213    HA   HIS  30           HA       HIS  30   0.456 -10.902  -3.586
  214    HB2  HIS  30          2HB       HIS  30  -1.547 -10.724  -1.346
  215    HB3  HIS  30          1HB       HIS  30  -2.033 -10.895  -3.025
  216    HD1  HIS  30          1HD       HIS  30  -1.633 -13.183  -4.142
  217    HD2  HIS  30          2HD       HIS  30  -0.484 -13.001  -0.156
  218    HE1  HIS  30          1HE       HIS  30  -1.241 -15.575  -3.412
  219    H    ALA  31           H        ALA  31   0.969  -8.106  -2.041
  220    HA   ALA  31           HA       ALA  31  -1.124  -6.494  -3.086
  221    HB1  ALA  31          1HB       ALA  31   0.101  -5.877  -1.065
  222    HB2  ALA  31          2HB       ALA  31   0.181  -4.611  -2.290
  223    HB3  ALA  31          3HB       ALA  31   1.566  -5.669  -2.022
  224    H    CYS  32           H        CYS  32  -1.340  -5.729  -4.997
  225    HA   CYS  32           HA       CYS  32   0.915  -5.833  -6.852
  226    HB2  CYS  32          2HB       CYS  32  -0.918  -5.572  -8.597
  227    HB3  CYS  32          1HB       CYS  32  -0.930  -7.079  -7.688
  228    H    LYS  33           H        LYS  33  -1.331  -3.720  -5.295
  229    HA   LYS  33           HA       LYS  33   0.148  -1.462  -6.334
  230    HB2  LYS  33          2HB       LYS  33  -1.771  -1.319  -7.721
  231    HB3  LYS  33          1HB       LYS  33  -2.855  -1.788  -6.422
  232    HG2  LYS  33          2HG       LYS  33  -2.501   0.374  -5.330
  233    HG3  LYS  33          1HG       LYS  33  -1.373   0.839  -6.592
  234    HD2  LYS  33          2HD       LYS  33  -4.185   0.058  -7.265
  235    HD3  LYS  33          1HD       LYS  33  -3.811   1.686  -6.703
  236    HE2  LYS  33          2HE       LYS  33  -2.583   0.326  -9.105
  237    HE3  LYS  33          1HE       LYS  33  -3.848   1.553  -9.157
  238    HZ1  LYS  33          1HZ       LYS  33  -2.245   3.021  -7.923
  239    HZ2  LYS  33          2HZ       LYS  33  -1.849   2.717  -9.515
  240    HZ3  LYS  33          3HZ       LYS  33  -1.023   1.909  -8.296
  241    H    GLY  34           H        GLY  34   0.737  -0.122  -4.815
  242    HA2  GLY  34          2HA       GLY  34  -0.669  -0.151  -2.246
  243    HA3  GLY  34          1HA       GLY  34   1.091  -0.317  -2.313
  244    H    GLU  35           H        GLU  35  -1.304   1.850  -1.854
  245    HA   GLU  35           HA       GLU  35   0.503   4.014  -2.693
  246    HB2  GLU  35          2HB       GLU  35  -2.444   3.991  -3.344
  247    HB3  GLU  35          1HB       GLU  35  -1.395   5.389  -3.527
  248    HG2  GLU  35          2HG       GLU  35   0.014   4.025  -5.066
  249    HG3  GLU  35          1HG       GLU  35  -1.219   2.774  -4.989
  250    H    CYS  36           H        CYS  36   0.642   5.776  -1.450
  251    HA   CYS  36           HA       CYS  36  -0.152   5.701   1.237
  252    HB2  CYS  36          2HB       CYS  36   0.677   8.044  -0.464
  253    HB3  CYS  36          1HB       CYS  36   0.531   8.075   1.281
  254    H    GLU  37           H        GLU  37  -2.069   6.081   2.040
  255    HA   GLU  37           HA       GLU  37  -3.937   7.801   0.559
  256    HB2  GLU  37          2HB       GLU  37  -4.425   5.357   2.247
  257    HB3  GLU  37          1HB       GLU  37  -5.699   6.444   1.727
  258    HG2  GLU  37          2HG       GLU  37  -3.875   5.110  -0.241
  259    HG3  GLU  37          1HG       GLU  37  -5.310   4.306   0.390
  260    H    TYR  38           H        TYR  38  -4.127   9.640   1.582
  261    HA   TYR  38           HA       TYR  38  -3.476   9.937   4.369
  262    HB2  TYR  38          2HB       TYR  38  -4.675  11.880   2.380
  263    HB3  TYR  38          1HB       TYR  38  -4.178  12.294   4.012
  264    HD1  TYR  38          1HD       TYR  38  -1.836  12.380   4.593
  265    HD2  TYR  38          2HD       TYR  38  -3.091  11.605   0.620
  266    HE1  TYR  38          1HE       TYR  38   0.420  12.957   3.774
  267    HE2  TYR  38          2HE       TYR  38  -0.861  12.154  -0.217
  268    HH   TYR  38           HH       TYR  38   1.831  12.420   1.723
  269    H    HIS  39           H        HIS  39  -4.901   9.036   5.710
  270    HA   HIS  39           HA       HIS  39  -7.713   9.679   5.248
  271    HB2  HIS  39          2HB       HIS  39  -7.299   7.307   4.602
  272    HB3  HIS  39          1HB       HIS  39  -6.710   6.988   6.225
  273    HD1  HIS  39          1HD       HIS  39  -8.555   5.387   7.078
  274    HD2  HIS  39          2HD       HIS  39 -10.069   8.870   5.365
  275    HE1  HIS  39          1HE       HIS  39 -11.028   5.348   7.477
  276    H    GLY  40           H        GLY  40  -7.858  11.221   6.694
  277    HA2  GLY  40          2HA       GLY  40  -8.374  12.044   8.758
  278    HA3  GLY  40          1HA       GLY  40  -8.086  10.443   9.427
  279    H    ARG  41           H        ARG  41  -6.405  10.228  10.672
  280    HA   ARG  41           HA       ARG  41  -4.571  12.436  11.057
  281    HB2  ARG  41          2HB       ARG  41  -4.775   9.757  12.419
  282    HB3  ARG  41          1HB       ARG  41  -3.625  11.007  12.852
  283    HG2  ARG  41          2HG       ARG  41  -5.445  12.487  13.472
  284    HG3  ARG  41          1HG       ARG  41  -6.620  11.255  13.000
  285    HD2  ARG  41          2HD       ARG  41  -5.794   9.755  14.697
  286    HD3  ARG  41          1HD       ARG  41  -4.493  10.868  15.102
  287    HE   ARG  41           HE       ARG  41  -7.063  12.048  15.366
  288   HH11  ARG  41          1HH1      ARG  41  -4.759   9.915  17.025
  289   HH12  ARG  41          2HH1      ARG  41  -5.314  10.308  18.588
  290   HH21  ARG  41          1HH2      ARG  41  -7.785  12.594  17.546
  291   HH22  ARG  41          2HH2      ARG  41  -7.031  11.851  18.888
  292    H    GLU  42           H        GLU  42  -4.363   9.070  10.022
  293    HA   GLU  42           HA       GLU  42  -1.491   9.349   9.666
  294    HB2  GLU  42          2HB       GLU  42  -3.238   6.897   9.578
  295    HB3  GLU  42          1HB       GLU  42  -1.491   6.918   9.464
  296    HG2  GLU  42          2HG       GLU  42  -3.121   7.764  11.850
  297    HG3  GLU  42          1HG       GLU  42  -2.208   6.265  11.682
  298    H    VAL  43           H        VAL  43  -0.579   8.168   7.853
  299    HA   VAL  43           HA       VAL  43  -2.229   7.957   5.500
  300    HB   VAL  43           HB       VAL  43  -1.042  10.123   5.196
  301   HG11  VAL  43          1HG1      VAL  43   0.859   9.765   6.679
  302   HG12  VAL  43          2HG1      VAL  43   1.403  10.218   5.042
  303   HG13  VAL  43          3HG1      VAL  43   1.449   8.529   5.559
  304   HG21  VAL  43          1HG2      VAL  43  -1.373   8.792   3.195
  305   HG22  VAL  43          2HG2      VAL  43   0.134   7.928   3.506
  306   HG23  VAL  43          3HG2      VAL  43   0.178   9.638   3.104
  307    H    HIS  44           H        HIS  44  -2.126   5.929   5.002
  308    HA   HIS  44           HA       HIS  44   0.440   4.559   5.335
  309    HB2  HIS  44          2HB       HIS  44  -2.311   3.393   5.833
  310    HB3  HIS  44          1HB       HIS  44  -0.821   2.464   5.775
  311    HD1  HIS  44          1HD       HIS  44  -3.042   3.481   8.213
  312    HD2  HIS  44          2HD       HIS  44   1.063   3.961   7.812
  313    HE1  HIS  44          1HE       HIS  44  -2.155   3.811  10.537
  314    H    CYS  45           H        CYS  45   0.762   2.843   3.874
  315    HA   CYS  45           HA       CYS  45  -0.298   3.404   1.285
  316    HB2  CYS  45          2HB       CYS  45   1.751   1.545   2.418
  317    HB3  CYS  45          1HB       CYS  45   1.241   1.399   0.716
  318    H    HIS  46           H        HIS  46  -2.219   2.680   0.811
  319    HA   HIS  46           HA       HIS  46  -3.231   0.344   2.107
  320    HB2  HIS  46          2HB       HIS  46  -4.422   2.207   0.041
  321    HB3  HIS  46          1HB       HIS  46  -5.254   0.773   0.629
  322    HD1  HIS  46          1HD       HIS  46  -7.048   2.745   1.416
  323    HD2  HIS  46          2HD       HIS  46  -3.459   2.485   3.493
  324    HE1  HIS  46          1HE       HIS  46  -7.399   3.981   3.584
  325    H    CYS  47           H        CYS  47  -3.090  -1.559   1.430
  326    HA   CYS  47           HA       CYS  47  -1.731  -2.044  -1.071
  327    HB2  CYS  47          2HB       CYS  47  -2.091  -3.685   1.417
  328    HB3  CYS  47          1HB       CYS  47  -1.361  -4.311  -0.060
  329    H    TYR  48           H        TYR  48  -2.873  -2.482  -2.677
  330    HA   TYR  48           HA       TYR  48  -5.444  -3.870  -2.501
  331    HB2  TYR  48          2HB       TYR  48  -3.942  -2.708  -4.850
  332    HB3  TYR  48          1HB       TYR  48  -5.570  -3.351  -4.887
  333    HD1  TYR  48          1HD       TYR  48  -3.486  -0.570  -3.597
  334    HD2  TYR  48          2HD       TYR  48  -7.394  -1.966  -4.450
  335    HE1  TYR  48          1HE       TYR  48  -4.329   1.710  -3.336
  336    HE2  TYR  48          2HE       TYR  48  -8.274   0.301  -4.183
  337    HH   TYR  48           HH       TYR  48  -6.224   2.998  -4.130
  338    H    GLY  49           H        GLY  49  -5.470  -6.021  -3.147
  339    HA2  GLY  49          2HA       GLY  49  -3.208  -6.957  -4.703
  340    HA3  GLY  49          1HA       GLY  49  -3.288  -7.579  -3.070
  341    H    ASP  50           H        ASP  50  -3.303  -9.011  -5.437
  342    HA   ASP  50           HA       ASP  50  -6.003 -10.147  -5.609
  343    HB2  ASP  50          2HB       ASP  50  -4.671  -9.533  -7.717
  344    HB3  ASP  50          1HB       ASP  50  -3.543 -10.801  -7.263
  345    H    TYR  51           H        TYR  51  -6.280 -11.899  -4.325
  346    HA   TYR  51           HA       TYR  51  -3.910 -13.465  -3.661
  347    HB2  TYR  51          2HB       TYR  51  -4.363 -13.431  -1.293
  348    HB3  TYR  51          1HB       TYR  51  -4.221 -11.779  -1.869
  349    HD1  TYR  51          1HD       TYR  51  -6.147 -14.020   0.059
  350    HD2  TYR  51          2HD       TYR  51  -6.529 -10.579  -2.423
  351    HE1  TYR  51          1HE       TYR  51  -8.305 -13.519   1.093
  352    HE2  TYR  51          2HE       TYR  51  -8.694 -10.075  -1.390
  353    HH   TYR  51           HH       TYR  51 -10.496 -11.222  -0.144
  354    H    HIS  52           H        HIS  52  -4.256 -15.563  -3.490
  355    HA   HIS  52           HA       HIS  52  -6.969 -16.535  -3.040
  356    HB2  HIS  52          2HB       HIS  52  -4.926 -17.662  -4.982
  357    HB3  HIS  52          1HB       HIS  52  -6.388 -18.507  -4.499
  358    HD1  HIS  52          1HD       HIS  52  -8.646 -17.558  -5.463
  359    HD2  HIS  52          2HD       HIS  52  -5.204 -15.727  -6.884
  360    HE1  HIS  52          1HE       HIS  52  -9.337 -16.311  -7.528
  Start of MODEL   19
    1    H1   ALA   1           H        ALA   1  -6.583 -12.412 -12.640
    2    HA   ALA   1           HA       ALA   1  -7.668 -10.427 -11.927
    3    HB1  ALA   1          1HB       ALA   1  -7.785 -10.582  -9.457
    4    HB2  ALA   1          2HB       ALA   1  -6.463 -11.757  -9.496
    5    HB3  ALA   1          3HB       ALA   1  -8.010 -12.127 -10.266
    6    H    HIS   2           H        HIS   2  -7.447  -8.322 -11.260
    7    HA   HIS   2           HA       HIS   2  -4.710  -7.368 -11.127
    8    HB2  HIS   2          2HB       HIS   2  -5.741  -5.084 -11.310
    9    HB3  HIS   2          1HB       HIS   2  -6.147  -6.142 -12.649
   10    HD1  HIS   2          1HD       HIS   2  -8.643  -6.484 -13.091
   11    HD2  HIS   2          2HD       HIS   2  -7.841  -4.557  -9.504
   12    HE1  HIS   2          1HE       HIS   2 -10.877  -5.709 -12.217
   13    H    CYS   3           H        CYS   3  -4.398  -5.433  -9.548
   14    HA   CYS   3           HA       CYS   3  -4.985  -6.483  -6.935
   15    HB2  CYS   3          2HB       CYS   3  -3.287  -4.163  -7.857
   16    HB3  CYS   3          1HB       CYS   3  -3.476  -4.637  -6.171
   17    H    ASP   4           H        ASP   4  -7.065  -6.138  -6.481
   18    HA   ASP   4           HA       ASP   4  -8.010  -3.336  -6.440
   19    HB2  ASP   4          2HB       ASP   4  -9.269  -4.598  -8.086
   20    HB3  ASP   4          1HB       ASP   4  -9.596  -5.854  -6.900
   21    H    HIS   5           H        HIS   5  -7.899  -6.400  -4.755
   22    HA   HIS   5           HA       HIS   5  -9.538  -5.547  -2.568
   23    HB2  HIS   5          2HB       HIS   5  -7.679  -7.915  -2.896
   24    HB3  HIS   5          1HB       HIS   5  -8.628  -7.624  -1.451
   25    HD1  HIS   5          1HD       HIS   5  -8.918  -8.893  -4.983
   26    HD2  HIS   5          2HD       HIS   5 -11.371  -8.142  -1.706
   27    HE1  HIS   5          1HE       HIS   5 -11.060 -10.135  -5.422
   28    H    PHE   6           H        PHE   6  -8.936  -4.490  -0.793
   29    HA   PHE   6           HA       PHE   6  -6.228  -3.636  -0.438
   30    HB2  PHE   6          2HB       PHE   6  -8.668  -3.417   1.354
   31    HB3  PHE   6          1HB       PHE   6  -7.091  -2.792   1.781
   32    HD1  PHE   6          1HD       PHE   6  -6.403  -0.645   1.063
   33    HD2  PHE   6          2HD       PHE   6  -9.879  -2.441  -0.632
   34    HE1  PHE   6          1HE       PHE   6  -7.007   1.489   0.041
   35    HE2  PHE   6          2HE       PHE   6 -10.480  -0.296  -1.666
   36    HZ   PHE   6           HZ       PHE   6  -9.044   1.676  -1.326
   37    H    LEU   7           H        LEU   7  -4.809  -4.994   0.231
   38    HA   LEU   7           HA       LEU   7  -5.506  -7.440   1.593
   39    HB2  LEU   7          2HB       LEU   7  -2.803  -6.272   1.009
   40    HB3  LEU   7          1HB       LEU   7  -3.128  -7.911   1.521
   41    HG   LEU   7           HG       LEU   7  -3.915  -6.683  -1.116
   42   HD11  LEU   7          1HD1      LEU   7  -1.577  -7.068  -0.937
   43   HD12  LEU   7          2HD1      LEU   7  -2.275  -8.323  -1.975
   44   HD13  LEU   7          3HD1      LEU   7  -1.849  -8.682  -0.302
   45   HD21  LEU   7          1HD2      LEU   7  -4.257  -9.504  -0.103
   46   HD22  LEU   7          2HD2      LEU   7  -4.597  -8.945  -1.739
   47   HD23  LEU   7          3HD2      LEU   7  -5.558  -8.347  -0.387
   48    H    GLY   8           H        GLY   8  -4.216  -4.326   2.353
   49    HA2  GLY   8          2HA       GLY   8  -4.825  -4.294   4.974
   50    HA3  GLY   8          1HA       GLY   8  -3.264  -5.088   4.902
   51    H    GLU   9           H        GLU   9  -2.355  -3.437   5.988
   52    HA   GLU   9           HA       GLU   9  -1.886  -0.984   4.435
   53    HB2  GLU   9          2HB       GLU   9  -2.291  -1.283   7.407
   54    HB3  GLU   9          1HB       GLU   9  -1.764   0.190   6.611
   55    HG2  GLU   9          2HG       GLU   9  -3.850   0.464   5.540
   56    HG3  GLU   9          1HG       GLU   9  -4.364  -1.167   5.977
   57    H    ALA  10           H        ALA  10   0.186  -0.054   4.868
   58    HA   ALA  10           HA       ALA  10   2.060  -1.720   6.353
   59    HB1  ALA  10          1HB       ALA  10   2.582  -0.544   3.616
   60    HB2  ALA  10          2HB       ALA  10   2.310  -2.253   3.976
   61    HB3  ALA  10          3HB       ALA  10   3.730  -1.429   4.625
   62    HA   PRO  11           HA       PRO  11   3.154   2.330   7.868
   63    HB2  PRO  11          2HB       PRO  11   5.224   1.643   9.451
   64    HB3  PRO  11          1HB       PRO  11   3.554   1.249   9.872
   65    HG2  PRO  11          2HG       PRO  11   5.687  -0.502   8.739
   66    HG3  PRO  11          1HG       PRO  11   4.421  -0.895   9.915
   67    HD2  PRO  11          2HD       PRO  11   4.348  -1.500   7.201
   68    HD3  PRO  11          1HD       PRO  11   2.943  -1.435   8.280
   69    H    VAL  12           H        VAL  12   4.042   3.703   6.472
   70    HA   VAL  12           HA       VAL  12   6.861   3.749   6.124
   71    HB   VAL  12           HB       VAL  12   6.370   2.312   4.233
   72   HG11  VAL  12          1HG1      VAL  12   4.026   2.689   3.996
   73   HG12  VAL  12          2HG1      VAL  12   4.831   2.912   2.441
   74   HG13  VAL  12          3HG1      VAL  12   4.310   4.315   3.377
   75   HG21  VAL  12          1HG2      VAL  12   8.050   3.962   3.716
   76   HG22  VAL  12          2HG2      VAL  12   6.805   5.134   3.278
   77   HG23  VAL  12          3HG2      VAL  12   7.037   3.690   2.291
   78    H    TYR  13           H        TYR  13   7.381   5.741   6.565
   79    HA   TYR  13           HA       TYR  13   6.027   7.970   5.441
   80    HB2  TYR  13          2HB       TYR  13   4.483   7.504   7.285
   81    HB3  TYR  13          1HB       TYR  13   5.821   7.476   8.426
   82    HD1  TYR  13          1HD       TYR  13   6.314   9.403   9.607
   83    HD2  TYR  13          2HD       TYR  13   4.170   9.742   5.962
   84    HE1  TYR  13          1HE       TYR  13   6.023  11.800  10.013
   85    HE2  TYR  13          2HE       TYR  13   3.868  12.137   6.348
   86    HH   TYR  13           HH       TYR  13   5.589  13.829   8.725
   87    HA   PRO  14           HA       PRO  14   6.411  10.036   5.006
   88    HB2  PRO  14          2HB       PRO  14   8.180  11.012   3.148
   89    HB3  PRO  14          1HB       PRO  14   7.750  11.861   4.638
   90    HG2  PRO  14          2HG       PRO  14  10.152  10.184   4.033
   91    HG3  PRO  14          1HG       PRO  14  10.051  11.709   4.925
   92    HD2  PRO  14          2HD       PRO  14  10.268   9.337   6.181
   93    HD3  PRO  14          1HD       PRO  14   9.328  10.678   6.859
   94    H    CYS  15           H        CYS  15   5.665   9.568   2.828
   95    HA   CYS  15           HA       CYS  15   6.750   7.005   1.917
   96    HB2  CYS  15          2HB       CYS  15   4.636   6.707   3.047
   97    HB3  CYS  15          1HB       CYS  15   3.883   7.913   2.010
   98    H    LYS  16           H        LYS  16   7.129   6.715  -0.158
   99    HA   LYS  16           HA       LYS  16   6.401   8.822  -2.047
  100    HB2  LYS  16          2HB       LYS  16   8.510   6.655  -2.181
  101    HB3  LYS  16          1HB       LYS  16   7.968   7.473  -3.626
  102    HG2  LYS  16          2HG       LYS  16  10.046   8.410  -2.880
  103    HG3  LYS  16          1HG       LYS  16   8.768   9.604  -2.675
  104    HD2  LYS  16          2HD       LYS  16   8.643   9.065  -0.321
  105    HD3  LYS  16          1HD       LYS  16   9.903   7.846  -0.518
  106    HE2  LYS  16          2HE       LYS  16  11.499   9.525  -1.182
  107    HE3  LYS  16          1HE       LYS  16  10.262  10.781  -1.132
  108    HZ1  LYS  16          1HZ       LYS  16  11.293   9.220   1.171
  109    HZ2  LYS  16          2HZ       LYS  16  10.052  10.385   1.230
  110    HZ3  LYS  16          3HZ       LYS  16  11.608  10.849   0.834
  111    H    GLU  17           H        GLU  17   5.572   8.118  -4.098
  112    HA   GLU  17           HA       GLU  17   3.443   6.274  -3.891
  113    HB2  GLU  17          2HB       GLU  17   4.760   7.374  -6.380
  114    HB3  GLU  17          1HB       GLU  17   3.223   6.533  -6.345
  115    HG2  GLU  17          2HG       GLU  17   2.284   8.264  -4.954
  116    HG3  GLU  17          1HG       GLU  17   3.829   9.109  -4.946
  117    H    LYS  18           H        LYS  18   6.578   6.024  -5.318
  118    HA   LYS  18           HA       LYS  18   6.283   3.321  -6.209
  119    HB2  LYS  18          2HB       LYS  18   7.840   4.917  -7.253
  120    HB3  LYS  18          1HB       LYS  18   8.776   4.969  -5.773
  121    HG2  LYS  18          2HG       LYS  18   9.856   3.588  -7.443
  122    HG3  LYS  18          1HG       LYS  18   9.361   2.615  -6.060
  123    HD2  LYS  18          2HD       LYS  18   7.461   1.771  -7.269
  124    HD3  LYS  18          1HD       LYS  18   7.780   2.860  -8.620
  125    HE2  LYS  18          2HE       LYS  18   9.617   0.662  -7.668
  126    HE3  LYS  18          1HE       LYS  18   8.541   0.554  -9.061
  127    HZ1  LYS  18          1HZ       LYS  18  10.764   2.521  -8.784
  128    HZ2  LYS  18          2HZ       LYS  18   9.754   2.320 -10.127
  129    HZ3  LYS  18          3HZ       LYS  18  10.820   1.106  -9.687
  130    H    ALA  19           H        ALA  19   7.190   4.825  -3.245
  131    HA   ALA  19           HA       ALA  19   8.592   2.547  -2.124
  132    HB1  ALA  19          1HB       ALA  19   9.146   4.830  -1.409
  133    HB2  ALA  19          2HB       ALA  19   8.619   3.824  -0.057
  134    HB3  ALA  19          3HB       ALA  19   7.517   5.009  -0.758
  135    H    CYS  20           H        CYS  20   5.333   3.854  -1.916
  136    HA   CYS  20           HA       CYS  20   4.528   2.061   0.081
  137    HB2  CYS  20          2HB       CYS  20   3.221   4.072  -0.628
  138    HB3  CYS  20          1HB       CYS  20   2.813   3.244  -2.123
  139    H    LYS  21           H        LYS  21   4.724   1.832  -3.412
  140    HA   LYS  21           HA       LYS  21   3.460  -0.634  -3.870
  141    HB2  LYS  21          2HB       LYS  21   4.162   0.945  -5.657
  142    HB3  LYS  21          1HB       LYS  21   5.833   0.583  -5.292
  143    HG2  LYS  21          2HG       LYS  21   5.403  -1.783  -5.940
  144    HG3  LYS  21          1HG       LYS  21   3.785  -1.296  -6.448
  145    HD2  LYS  21          2HD       LYS  21   4.745   0.288  -8.036
  146    HD3  LYS  21          1HD       LYS  21   6.367  -0.153  -7.505
  147    HE2  LYS  21          2HE       LYS  21   5.940  -1.310  -9.541
  148    HE3  LYS  21          1HE       LYS  21   5.894  -2.485  -8.237
  149    HZ1  LYS  21          1HZ       LYS  21   4.092  -2.849  -9.772
  150    HZ2  LYS  21          2HZ       LYS  21   3.554  -1.288  -9.611
  151    HZ3  LYS  21          3HZ       LYS  21   3.412  -2.339  -8.316
  152    H    SER  22           H        SER  22   6.855   0.180  -3.156
  153    HA   SER  22           HA       SER  22   7.747  -2.487  -3.280
  154    HB2  SER  22          2HB       SER  22   9.815  -1.338  -2.160
  155    HB3  SER  22          1HB       SER  22   9.384  -0.901  -3.826
  156    HG   SER  22           HG       SER  22   9.236   1.034  -3.080
  157    H    VAL  23           H        VAL  23   6.949  -0.323  -0.582
  158    HA   VAL  23           HA       VAL  23   7.681  -2.125   1.447
  159    HB   VAL  23           HB       VAL  23   5.705   0.196   1.516
  160   HG11  VAL  23          1HG1      VAL  23   5.861   0.102   3.947
  161   HG12  VAL  23          2HG1      VAL  23   6.910  -1.313   3.829
  162   HG13  VAL  23          3HG1      VAL  23   5.230  -1.419   3.307
  163   HG21  VAL  23          1HG2      VAL  23   7.998   0.831   1.047
  164   HG22  VAL  23          2HG2      VAL  23   8.552  -0.055   2.470
  165   HG23  VAL  23          3HG2      VAL  23   7.524   1.367   2.659
  166    H    CYS  24           H        CYS  24   4.501  -1.535  -0.101
  167    HA   CYS  24           HA       CYS  24   3.129  -3.482   1.323
  168    HB2  CYS  24          2HB       CYS  24   2.670  -2.300  -1.389
  169    HB3  CYS  24          1HB       CYS  24   1.654  -3.610  -0.792
  170    H    LYS  25           H        LYS  25   5.176  -3.854  -1.568
  171    HA   LYS  25           HA       LYS  25   4.487  -6.449  -2.153
  172    HB2  LYS  25          2HB       LYS  25   5.621  -4.931  -3.653
  173    HB3  LYS  25          1HB       LYS  25   6.988  -4.831  -2.556
  174    HG2  LYS  25          2HG       LYS  25   7.390  -7.149  -2.860
  175    HG3  LYS  25          1HG       LYS  25   6.035  -7.230  -4.007
  176    HD2  LYS  25          2HD       LYS  25   7.168  -5.653  -5.487
  177    HD3  LYS  25          1HD       LYS  25   8.485  -5.483  -4.329
  178    HE2  LYS  25          2HE       LYS  25   7.729  -8.010  -5.787
  179    HE3  LYS  25          1HE       LYS  25   9.100  -6.968  -6.173
  180    HZ1  LYS  25          1HZ       LYS  25   8.727  -8.522  -3.659
  181    HZ2  LYS  25          2HZ       LYS  25   9.991  -7.453  -3.952
  182    HZ3  LYS  25          3HZ       LYS  25   9.843  -8.827  -4.877
  183    H    GLU  26           H        GLU  26   6.745  -5.061   0.188
  184    HA   GLU  26           HA       GLU  26   7.811  -7.664   0.793
  185    HB2  GLU  26          2HB       GLU  26   8.454  -4.949   1.919
  186    HB3  GLU  26          1HB       GLU  26   9.173  -6.435   2.533
  187    HG2  GLU  26          2HG       GLU  26  10.036  -6.910   0.264
  188    HG3  GLU  26          1HG       GLU  26   9.398  -5.358  -0.269
  189    H    HIS  27           H        HIS  27   5.303  -5.693   2.025
  190    HA   HIS  27           HA       HIS  27   5.124  -7.332   4.437
  191    HB2  HIS  27          2HB       HIS  27   3.374  -5.099   3.415
  192    HB3  HIS  27          1HB       HIS  27   2.920  -6.080   4.800
  193    HD1  HIS  27          1HD       HIS  27   3.894  -5.393   7.029
  194    HD2  HIS  27          2HD       HIS  27   5.715  -3.573   3.795
  195    HE1  HIS  27          1HE       HIS  27   5.441  -3.675   8.000
  196    H    TYR  28           H        TYR  28   3.495  -7.020   1.360
  197    HA   TYR  28           HA       TYR  28   2.119  -9.551   1.865
  198    HB2  TYR  28          2HB       TYR  28   0.957  -7.145   0.423
  199    HB3  TYR  28          1HB       TYR  28   0.161  -8.683   0.692
  200    HD1  TYR  28          1HD       TYR  28   1.262  -5.541   2.274
  201    HD2  TYR  28          2HD       TYR  28  -0.955  -9.135   2.799
  202    HE1  TYR  28          1HE       TYR  28   0.262  -4.614   4.302
  203    HE2  TYR  28          2HE       TYR  28  -1.964  -8.205   4.836
  204    HH   TYR  28           HH       TYR  28  -1.592  -6.543   6.478
  205    H    HIS  29           H        HIS  29   3.144 -10.867   0.410
  206    HA   HIS  29           HA       HIS  29   4.375  -9.870  -1.966
  207    HB2  HIS  29          2HB       HIS  29   3.840 -12.686  -0.998
  208    HB3  HIS  29          1HB       HIS  29   4.628 -12.347  -2.532
  209    HD1  HIS  29          1HD       HIS  29   6.991 -13.055  -2.098
  210    HD2  HIS  29          2HD       HIS  29   5.481 -10.671   0.952
  211    HE1  HIS  29          1HE       HIS  29   8.917 -12.649  -0.515
  212    H    HIS  30           H        HIS  30   1.287 -10.479  -1.197
  213    HA   HIS  30           HA       HIS  30   0.294 -11.329  -3.795
  214    HB2  HIS  30          2HB       HIS  30  -1.237 -10.359  -1.361
  215    HB3  HIS  30          1HB       HIS  30  -1.935 -11.123  -2.775
  216    HD1  HIS  30          1HD       HIS  30  -2.492 -13.529  -2.366
  217    HD2  HIS  30          2HD       HIS  30   0.670 -12.230   0.006
  218    HE1  HIS  30          1HE       HIS  30  -1.894 -15.461  -0.833
  219    H    ALA  31           H        ALA  31   1.399  -8.460  -2.478
  220    HA   ALA  31           HA       ALA  31  -0.623  -6.767  -3.720
  221    HB1  ALA  31          1HB       ALA  31   1.757  -6.005  -2.030
  222    HB2  ALA  31          2HB       ALA  31   0.115  -6.205  -1.433
  223    HB3  ALA  31          3HB       ALA  31   0.482  -4.921  -2.584
  224    H    CYS  32           H        CYS  32  -0.296  -5.800  -5.601
  225    HA   CYS  32           HA       CYS  32   2.459  -5.759  -6.634
  226    HB2  CYS  32          2HB       CYS  32   1.547  -5.684  -8.867
  227    HB3  CYS  32          1HB       CYS  32   0.746  -6.997  -8.012
  228    H    LYS  33           H        LYS  33  -0.149  -3.925  -5.477
  229    HA   LYS  33           HA       LYS  33   0.979  -1.404  -6.419
  230    HB2  LYS  33          2HB       LYS  33  -0.867  -1.826  -7.883
  231    HB3  LYS  33          1HB       LYS  33  -1.879  -2.380  -6.567
  232    HG2  LYS  33          2HG       LYS  33  -2.614  -0.209  -7.334
  233    HG3  LYS  33          1HG       LYS  33  -1.975  -0.077  -5.701
  234    HD2  LYS  33          2HD       LYS  33   0.173   0.720  -6.677
  235    HD3  LYS  33          1HD       LYS  33  -0.607   0.712  -8.264
  236    HE2  LYS  33          2HE       LYS  33  -2.268   2.293  -7.477
  237    HE3  LYS  33          1HE       LYS  33  -1.541   2.283  -5.872
  238    HZ1  LYS  33          1HZ       LYS  33  -0.325   3.295  -8.376
  239    HZ2  LYS  33          2HZ       LYS  33   0.512   3.148  -6.924
  240    HZ3  LYS  33          3HZ       LYS  33  -0.807   4.197  -7.026
  241    H    GLY  34           H        GLY  34   0.941   0.185  -4.875
  242    HA2  GLY  34          2HA       GLY  34  -0.645  -0.224  -2.459
  243    HA3  GLY  34          1HA       GLY  34   1.087   0.106  -2.320
  244    H    GLU  35           H        GLU  35  -1.265   1.781  -1.536
  245    HA   GLU  35           HA       GLU  35  -0.310   4.155  -2.962
  246    HB2  GLU  35          2HB       GLU  35  -2.460   3.347  -3.978
  247    HB3  GLU  35          1HB       GLU  35  -3.232   3.677  -2.426
  248    HG2  GLU  35          2HG       GLU  35  -3.664   5.510  -3.920
  249    HG3  GLU  35          1HG       GLU  35  -2.562   6.041  -2.660
  250    H    CYS  36           H        CYS  36   0.402   5.478  -1.528
  251    HA   CYS  36           HA       CYS  36  -0.479   5.388   1.199
  252    HB2  CYS  36          2HB       CYS  36   1.695   6.880  -0.226
  253    HB3  CYS  36          1HB       CYS  36   1.197   7.389   1.381
  254    H    GLU  37           H        GLU  37  -2.185   6.258   1.768
  255    HA   GLU  37           HA       GLU  37  -3.062   8.804   0.588
  256    HB2  GLU  37          2HB       GLU  37  -4.724   6.406   1.376
  257    HB3  GLU  37          1HB       GLU  37  -5.385   7.967   0.915
  258    HG2  GLU  37          2HG       GLU  37  -3.621   6.362  -0.890
  259    HG3  GLU  37          1HG       GLU  37  -5.366   6.137  -0.836
  260    H    TYR  38           H        TYR  38  -4.058  10.196   2.122
  261    HA   TYR  38           HA       TYR  38  -3.230   9.706   4.809
  262    HB2  TYR  38          2HB       TYR  38  -4.718  12.016   3.563
  263    HB3  TYR  38          1HB       TYR  38  -4.410  11.917   5.293
  264    HD1  TYR  38          1HD       TYR  38  -2.839  12.309   1.974
  265    HD2  TYR  38          2HD       TYR  38  -2.223  12.310   6.178
  266    HE1  TYR  38          1HE       TYR  38  -0.624  13.299   1.647
  267    HE2  TYR  38          2HE       TYR  38  -0.005  13.299   5.862
  268    HH   TYR  38           HH       TYR  38   0.982  14.600   2.877
  269    H    HIS  39           H        HIS  39  -4.142   8.322   5.928
  270    HA   HIS  39           HA       HIS  39  -7.013   7.821   5.725
  271    HB2  HIS  39          2HB       HIS  39  -5.292   5.958   5.546
  272    HB3  HIS  39          1HB       HIS  39  -4.861   6.278   7.214
  273    HD1  HIS  39          1HD       HIS  39  -6.695   3.959   5.309
  274    HD2  HIS  39          2HD       HIS  39  -7.419   5.942   8.893
  275    HE1  HIS  39          1HE       HIS  39  -8.392   2.571   6.524
  276    H    GLY  40           H        GLY  40  -7.719   9.584   6.832
  277    HA2  GLY  40          2HA       GLY  40  -8.533  10.437   8.847
  278    HA3  GLY  40          1HA       GLY  40  -7.264   9.562   9.706
  279    H    ARG  41           H        ARG  41  -5.365  10.476  10.041
  280    HA   ARG  41           HA       ARG  41  -5.062  13.306   9.264
  281    HB2  ARG  41          2HB       ARG  41  -5.127  12.923  11.673
  282    HB3  ARG  41          1HB       ARG  41  -3.825  11.751  11.530
  283    HG2  ARG  41          2HG       ARG  41  -2.457  13.671  10.554
  284    HG3  ARG  41          1HG       ARG  41  -3.707  14.720  11.218
  285    HD2  ARG  41          2HD       ARG  41  -1.864  14.500  12.761
  286    HD3  ARG  41          1HD       ARG  41  -3.315  13.754  13.444
  287    HE   ARG  41           HE       ARG  41  -2.366  11.602  12.730
  288   HH11  ARG  41          1HH1      ARG  41  -0.155  14.318  13.309
  289   HH12  ARG  41          2HH1      ARG  41   1.215  13.328  13.558
  290   HH21  ARG  41          1HH2      ARG  41  -0.466  10.240  13.069
  291   HH22  ARG  41          2HH2      ARG  41   1.010  10.969  13.466
  292    H    GLU  42           H        GLU  42  -3.216  10.317   9.793
  293    HA   GLU  42           HA       GLU  42  -0.966  11.494   8.368
  294    HB2  GLU  42          2HB       GLU  42   0.361   9.650   9.308
  295    HB3  GLU  42          1HB       GLU  42  -0.456  10.579  10.555
  296    HG2  GLU  42          2HG       GLU  42  -2.246   8.791  10.512
  297    HG3  GLU  42          1HG       GLU  42  -1.133   7.849   9.530
  298    H    VAL  43           H        VAL  43   0.339   9.788   7.097
  299    HA   VAL  43           HA       VAL  43  -1.533   8.893   5.091
  300    HB   VAL  43           HB       VAL  43   0.482  10.364   4.581
  301   HG11  VAL  43          1HG1      VAL  43   1.979   7.802   4.872
  302   HG12  VAL  43          2HG1      VAL  43   2.159   9.250   5.869
  303   HG13  VAL  43          3HG1      VAL  43   2.618   9.283   4.156
  304   HG21  VAL  43          1HG2      VAL  43   0.950   9.255   2.434
  305   HG22  VAL  43          2HG2      VAL  43  -0.767   9.354   2.826
  306   HG23  VAL  43          3HG2      VAL  43   0.096   7.829   3.034
  307    H    HIS  44           H        HIS  44  -1.918   6.861   4.585
  308    HA   HIS  44           HA       HIS  44  -0.358   4.777   5.929
  309    HB2  HIS  44          2HB       HIS  44  -3.344   4.942   5.494
  310    HB3  HIS  44          1HB       HIS  44  -2.536   3.413   5.788
  311    HD1  HIS  44          1HD       HIS  44  -3.228   2.794   8.130
  312    HD2  HIS  44          2HD       HIS  44  -2.149   6.803   7.811
  313    HE1  HIS  44          1HE       HIS  44  -3.267   3.703  10.458
  314    H    CYS  45           H        CYS  45   0.282   3.135   4.720
  315    HA   CYS  45           HA       CYS  45   0.048   3.403   1.850
  316    HB2  CYS  45          2HB       CYS  45   2.213   3.035   2.987
  317    HB3  CYS  45          1HB       CYS  45   1.618   1.509   3.612
  318    H    HIS  46           H        HIS  46  -1.838   2.591   1.097
  319    HA   HIS  46           HA       HIS  46  -3.018   0.257   2.325
  320    HB2  HIS  46          2HB       HIS  46  -3.972   2.029   0.062
  321    HB3  HIS  46          1HB       HIS  46  -4.905   0.733   0.800
  322    HD1  HIS  46          1HD       HIS  46  -4.270   4.303   1.075
  323    HD2  HIS  46          2HD       HIS  46  -5.431   1.253   3.640
  324    HE1  HIS  46          1HE       HIS  46  -5.304   5.435   3.104
  325    H    CYS  47           H        CYS  47  -2.567  -1.656   1.629
  326    HA   CYS  47           HA       CYS  47  -1.080  -2.000  -0.836
  327    HB2  CYS  47          2HB       CYS  47  -1.754  -3.964   1.346
  328    HB3  CYS  47          1HB       CYS  47  -0.597  -4.212   0.038
  329    H    TYR  48           H        TYR  48  -1.993  -2.691  -2.652
  330    HA   TYR  48           HA       TYR  48  -4.673  -3.892  -2.522
  331    HB2  TYR  48          2HB       TYR  48  -3.269  -2.572  -4.851
  332    HB3  TYR  48          1HB       TYR  48  -4.899  -3.214  -4.860
  333    HD1  TYR  48          1HD       TYR  48  -6.722  -1.958  -3.829
  334    HD2  TYR  48          2HD       TYR  48  -2.740  -0.487  -3.787
  335    HE1  TYR  48          1HE       TYR  48  -7.556   0.283  -3.263
  336    HE2  TYR  48          2HE       TYR  48  -3.543   1.738  -3.213
  337    HH   TYR  48           HH       TYR  48  -6.609   2.422  -2.146
  338    H    GLY  49           H        GLY  49  -4.965  -5.865  -3.391
  339    HA2  GLY  49          2HA       GLY  49  -3.208  -6.996  -5.323
  340    HA3  GLY  49          1HA       GLY  49  -2.979  -7.713  -3.732
  341    H    ASP  50           H        ASP  50  -3.754  -9.697  -4.587
  342    HA   ASP  50           HA       ASP  50  -6.669  -9.724  -4.758
  343    HB2  ASP  50          2HB       ASP  50  -6.600 -11.612  -6.269
  344    HB3  ASP  50          1HB       ASP  50  -5.548 -10.378  -6.939
  345    H    TYR  51           H        TYR  51  -7.686 -11.063  -3.375
  346    HA   TYR  51           HA       TYR  51  -6.074 -12.886  -1.782
  347    HB2  TYR  51          2HB       TYR  51  -6.113 -10.661  -0.655
  348    HB3  TYR  51          1HB       TYR  51  -7.864 -10.735  -0.635
  349    HD1  TYR  51          1HD       TYR  51  -8.806 -11.307   1.385
  350    HD2  TYR  51          2HD       TYR  51  -4.966 -12.879   0.433
  351    HE1  TYR  51          1HE       TYR  51  -8.700 -12.354   3.582
  352    HE2  TYR  51          2HE       TYR  51  -4.850 -13.948   2.640
  353    HH   TYR  51           HH       TYR  51  -5.830 -13.694   4.878
  354    H    HIS  52           H        HIS  52  -7.186 -14.704  -1.325
  355    HA   HIS  52           HA       HIS  52  -9.993 -14.841  -1.121
  356    HB2  HIS  52          2HB       HIS  52  -9.858 -14.811  -3.595
  357    HB3  HIS  52          1HB       HIS  52  -8.690 -16.123  -3.560
  358    HD1  HIS  52          1HD       HIS  52  -9.731 -18.376  -4.024
  359    HD2  HIS  52          2HD       HIS  52 -12.425 -15.703  -2.317
  360    HE1  HIS  52          1HE       HIS  52 -11.915 -19.592  -3.884
  Start of MODEL   20
    1    H1   ALA   1           H        ALA   1 -10.223 -11.322  -8.348
    2    HA   ALA   1           HA       ALA   1  -8.188 -12.260  -9.738
    3    HB1  ALA   1          1HB       ALA   1 -10.450 -11.909 -10.652
    4    HB2  ALA   1          2HB       ALA   1  -9.175 -11.504 -11.795
    5    HB3  ALA   1          3HB       ALA   1 -10.043 -10.218 -10.961
    6    H    HIS   2           H        HIS   2  -8.729  -8.691 -10.018
    7    HA   HIS   2           HA       HIS   2  -5.858  -8.558 -10.502
    8    HB2  HIS   2          2HB       HIS   2  -6.207  -6.603 -11.940
    9    HB3  HIS   2          1HB       HIS   2  -7.074  -8.003 -12.516
   10    HD1  HIS   2          1HD       HIS   2  -9.592  -7.774 -12.824
   11    HD2  HIS   2          2HD       HIS   2  -7.852  -4.526 -10.901
   12    HE1  HIS   2          1HE       HIS   2 -11.369  -5.972 -12.733
   13    H    CYS   3           H        CYS   3  -5.241  -5.976 -10.329
   14    HA   CYS   3           HA       CYS   3  -4.874  -5.652  -7.546
   15    HB2  CYS   3          2HB       CYS   3  -4.209  -3.863  -9.878
   16    HB3  CYS   3          1HB       CYS   3  -3.673  -3.589  -8.227
   17    H    ASP   4           H        ASP   4  -7.721  -5.405  -8.116
   18    HA   ASP   4           HA       ASP   4  -8.179  -2.578  -7.456
   19    HB2  ASP   4          2HB       ASP   4 -10.496  -2.930  -7.983
   20    HB3  ASP   4          1HB       ASP   4  -9.560  -3.669  -9.276
   21    H    HIS   5           H        HIS   5  -8.119  -5.726  -6.220
   22    HA   HIS   5           HA       HIS   5  -9.707  -5.338  -3.866
   23    HB2  HIS   5          2HB       HIS   5  -9.597  -7.540  -4.747
   24    HB3  HIS   5          1HB       HIS   5  -7.844  -7.508  -4.821
   25    HD1  HIS   5          1HD       HIS   5  -6.683  -8.592  -2.936
   26    HD2  HIS   5          2HD       HIS   5 -10.630  -7.739  -2.017
   27    HE1  HIS   5          1HE       HIS   5  -7.158  -9.754  -0.723
   28    H    PHE   6           H        PHE   6  -9.040  -4.886  -1.847
   29    HA   PHE   6           HA       PHE   6  -6.338  -3.857  -1.563
   30    HB2  PHE   6          2HB       PHE   6  -8.765  -3.620   0.215
   31    HB3  PHE   6          1HB       PHE   6  -7.183  -2.948   0.582
   32    HD1  PHE   6          1HD       PHE   6 -10.283  -2.490  -1.169
   33    HD2  PHE   6          2HD       PHE   6  -6.250  -1.187  -0.899
   34    HE1  PHE   6          1HE       PHE   6 -10.872  -0.432  -2.374
   35    HE2  PHE   6          2HE       PHE   6  -6.833   0.875  -2.099
   36    HZ   PHE   6           HZ       PHE   6  -9.138   1.251  -2.838
   37    H    LEU   7           H        LEU   7  -4.887  -4.878  -0.454
   38    HA   LEU   7           HA       LEU   7  -5.578  -7.382   0.857
   39    HB2  LEU   7          2HB       LEU   7  -2.916  -6.070   0.350
   40    HB3  LEU   7          1HB       LEU   7  -3.130  -7.635   1.105
   41    HG   LEU   7           HG       LEU   7  -3.915  -6.956  -1.729
   42   HD11  LEU   7          1HD1      LEU   7  -1.627  -8.559  -0.630
   43   HD12  LEU   7          2HD1      LEU   7  -1.517  -6.980  -1.414
   44   HD13  LEU   7          3HD1      LEU   7  -2.046  -8.390  -2.332
   45   HD21  LEU   7          1HD2      LEU   7  -5.325  -8.678  -0.769
   46   HD22  LEU   7          2HD2      LEU   7  -3.900  -9.566  -0.231
   47   HD23  LEU   7          3HD2      LEU   7  -4.220  -9.369  -1.955
   48    H    GLY   8           H        GLY   8  -4.792  -4.123   1.591
   49    HA2  GLY   8          2HA       GLY   8  -5.688  -3.877   4.057
   50    HA3  GLY   8          1HA       GLY   8  -4.176  -4.730   4.337
   51    H    GLU   9           H        GLU   9  -4.206  -2.457   5.531
   52    HA   GLU   9           HA       GLU   9  -2.835  -0.619   3.744
   53    HB2  GLU   9          2HB       GLU   9  -3.232   1.103   5.475
   54    HB3  GLU   9          1HB       GLU   9  -4.719   0.410   4.853
   55    HG2  GLU   9          2HG       GLU   9  -4.818  -1.033   6.875
   56    HG3  GLU   9          1HG       GLU   9  -3.412  -0.174   7.495
   57    H    ALA  10           H        ALA  10  -0.863   0.188   4.282
   58    HA   ALA  10           HA       ALA  10   0.568  -1.126   6.478
   59    HB1  ALA  10          1HB       ALA  10   1.091  -2.309   4.394
   60    HB2  ALA  10          2HB       ALA  10   2.500  -1.444   5.005
   61    HB3  ALA  10          3HB       ALA  10   1.583  -0.787   3.650
   62    HA   PRO  11           HA       PRO  11   1.860   3.098   7.162
   63    HB2  PRO  11          2HB       PRO  11   3.783   2.635   9.005
   64    HB3  PRO  11          1HB       PRO  11   2.062   2.485   9.384
   65    HG2  PRO  11          2HG       PRO  11   4.059   0.350   8.749
   66    HG3  PRO  11          1HG       PRO  11   2.789   0.356   9.984
   67    HD2  PRO  11          2HD       PRO  11   2.548  -0.921   7.591
   68    HD3  PRO  11          1HD       PRO  11   1.167  -0.264   8.492
   69    H    VAL  12           H        VAL  12   3.268   4.379   6.060
   70    HA   VAL  12           HA       VAL  12   5.970   3.672   5.601
   71    HB   VAL  12           HB       VAL  12   5.026   2.302   3.815
   72   HG11  VAL  12          1HG1      VAL  12   3.701   3.252   2.007
   73   HG12  VAL  12          2HG1      VAL  12   3.667   4.795   2.857
   74   HG13  VAL  12          3HG1      VAL  12   2.884   3.381   3.566
   75   HG21  VAL  12          1HG2      VAL  12   6.095   3.270   1.844
   76   HG22  VAL  12          2HG2      VAL  12   7.116   3.455   3.276
   77   HG23  VAL  12          3HG2      VAL  12   6.196   4.829   2.658
   78    H    TYR  13           H        TYR  13   7.139   5.501   5.432
   79    HA   TYR  13           HA       TYR  13   6.081   7.806   4.098
   80    HB2  TYR  13          2HB       TYR  13   5.327   7.943   6.570
   81    HB3  TYR  13          1HB       TYR  13   7.034   8.139   6.948
   82    HD1  TYR  13          1HD       TYR  13   4.198   9.631   5.157
   83    HD2  TYR  13          2HD       TYR  13   8.109  10.251   6.666
   84    HE1  TYR  13          1HE       TYR  13   3.965  12.031   4.724
   85    HE2  TYR  13          2HE       TYR  13   7.897  12.662   6.238
   86    HH   TYR  13           HH       TYR  13   6.546  14.159   4.751
   87    HA   PRO  14           HA       PRO  14   6.864   9.824   3.597
   88    HB2  PRO  14          2HB       PRO  14   8.515  10.333   1.258
   89    HB3  PRO  14          1HB       PRO  14   8.108  11.427   2.583
   90    HG2  PRO  14          2HG       PRO  14  10.618  10.464   2.197
   91    HG3  PRO  14          1HG       PRO  14   9.976  10.868   3.799
   92    HD2  PRO  14          2HD       PRO  14  10.207   8.189   2.473
   93    HD3  PRO  14          1HD       PRO  14  10.583   8.649   4.148
   94    H    CYS  15           H        CYS  15   5.617  10.098   1.531
   95    HA   CYS  15           HA       CYS  15   5.027   7.497   0.499
   96    HB2  CYS  15          2HB       CYS  15   3.122   8.892   0.994
   97    HB3  CYS  15          1HB       CYS  15   3.752  10.191  -0.013
   98    H    LYS  16           H        LYS  16   6.077   6.674  -1.011
   99    HA   LYS  16           HA       LYS  16   6.606   8.171  -3.406
  100    HB2  LYS  16          2HB       LYS  16   8.633   7.793  -1.839
  101    HB3  LYS  16          1HB       LYS  16   8.498   6.098  -2.291
  102    HG2  LYS  16          2HG       LYS  16  10.169   7.211  -3.619
  103    HG3  LYS  16          1HG       LYS  16   8.789   6.763  -4.632
  104    HD2  LYS  16          2HD       LYS  16   7.897   8.994  -4.462
  105    HD3  LYS  16          1HD       LYS  16   9.197   9.456  -3.374
  106    HE2  LYS  16          2HE       LYS  16  10.816   9.094  -5.152
  107    HE3  LYS  16          1HE       LYS  16   9.523   8.573  -6.233
  108    HZ1  LYS  16          1HZ       LYS  16   9.686  11.268  -4.999
  109    HZ2  LYS  16          2HZ       LYS  16   8.572  10.765  -6.160
  110    HZ3  LYS  16          3HZ       LYS  16  10.206  10.899  -6.553
  111    H    GLU  17           H        GLU  17   6.036   6.864  -5.125
  112    HA   GLU  17           HA       GLU  17   4.143   4.880  -4.636
  113    HB2  GLU  17          2HB       GLU  17   4.547   6.366  -6.702
  114    HB3  GLU  17          1HB       GLU  17   5.679   5.132  -7.211
  115    HG2  GLU  17          2HG       GLU  17   2.785   4.600  -6.627
  116    HG3  GLU  17          1HG       GLU  17   3.394   5.067  -8.209
  117    H    LYS  18           H        LYS  18   7.500   4.590  -5.689
  118    HA   LYS  18           HA       LYS  18   7.497   1.776  -5.789
  119    HB2  LYS  18          2HB       LYS  18   9.940   1.886  -5.864
  120    HB3  LYS  18          1HB       LYS  18   9.225   3.076  -6.937
  121    HG2  LYS  18          2HG       LYS  18   9.703   4.822  -5.280
  122    HG3  LYS  18          1HG       LYS  18  10.422   3.602  -4.229
  123    HD2  LYS  18          2HD       LYS  18  12.055   3.072  -5.976
  124    HD3  LYS  18          1HD       LYS  18  11.350   4.321  -7.001
  125    HE2  LYS  18          2HE       LYS  18  11.914   6.008  -5.315
  126    HE3  LYS  18          1HE       LYS  18  12.625   4.747  -4.309
  127    HZ1  LYS  18          1HZ       LYS  18  14.241   4.325  -6.060
  128    HZ2  LYS  18          2HZ       LYS  18  14.301   5.935  -5.555
  129    HZ3  LYS  18          3HZ       LYS  18  13.543   5.544  -7.005
  130    H    ALA  19           H        ALA  19   8.182   3.981  -3.172
  131    HA   ALA  19           HA       ALA  19   9.202   2.018  -1.345
  132    HB1  ALA  19          1HB       ALA  19   8.952   3.724   0.371
  133    HB2  ALA  19          2HB       ALA  19   7.949   4.693  -0.695
  134    HB3  ALA  19          3HB       ALA  19   9.660   4.450  -1.076
  135    H    CYS  20           H        CYS  20   6.082   3.515  -1.872
  136    HA   CYS  20           HA       CYS  20   4.621   2.329   0.180
  137    HB2  CYS  20          2HB       CYS  20   3.811   4.220  -1.141
  138    HB3  CYS  20          1HB       CYS  20   3.809   3.236  -2.595
  139    H    LYS  21           H        LYS  21   5.042   1.386  -3.208
  140    HA   LYS  21           HA       LYS  21   3.632  -1.009  -3.184
  141    HB2  LYS  21          2HB       LYS  21   4.374   0.333  -5.146
  142    HB3  LYS  21          1HB       LYS  21   6.016  -0.184  -4.845
  143    HG2  LYS  21          2HG       LYS  21   5.365  -2.495  -5.352
  144    HG3  LYS  21          1HG       LYS  21   3.711  -1.947  -5.637
  145    HD2  LYS  21          2HD       LYS  21   4.442  -0.499  -7.440
  146    HD3  LYS  21          1HD       LYS  21   6.124  -0.918  -7.133
  147    HE2  LYS  21          2HE       LYS  21   3.972  -2.832  -8.030
  148    HE3  LYS  21          1HE       LYS  21   5.195  -2.107  -9.072
  149    HZ1  LYS  21          1HZ       LYS  21   6.896  -3.211  -7.749
  150    HZ2  LYS  21          2HZ       LYS  21   5.811  -4.324  -8.405
  151    HZ3  LYS  21          3HZ       LYS  21   5.706  -3.920  -6.787
  152    H    SER  22           H        SER  22   7.021  -0.295  -2.445
  153    HA   SER  22           HA       SER  22   7.902  -2.955  -2.129
  154    HB2  SER  22          2HB       SER  22   8.997  -0.382  -0.982
  155    HB3  SER  22          1HB       SER  22   9.847  -1.920  -0.913
  156    HG   SER  22           HG       SER  22   9.044  -0.485  -3.226
  157    H    VAL  23           H        VAL  23   6.807  -0.566   0.290
  158    HA   VAL  23           HA       VAL  23   7.112  -2.274   2.509
  159    HB   VAL  23           HB       VAL  23   5.337   0.167   2.120
  160   HG11  VAL  23          1HG1      VAL  23   5.127   0.231   4.572
  161   HG12  VAL  23          2HG1      VAL  23   5.986  -1.307   4.676
  162   HG13  VAL  23          3HG1      VAL  23   4.407  -1.232   3.901
  163   HG21  VAL  23          1HG2      VAL  23   7.045   1.274   3.480
  164   HG22  VAL  23          2HG2      VAL  23   7.725   0.592   2.000
  165   HG23  VAL  23          3HG2      VAL  23   7.957  -0.233   3.541
  166    H    CYS  24           H        CYS  24   4.404  -1.613   0.373
  167    HA   CYS  24           HA       CYS  24   2.522  -3.214   1.550
  168    HB2  CYS  24          2HB       CYS  24   2.974  -2.473  -1.322
  169    HB3  CYS  24          1HB       CYS  24   1.640  -3.514  -0.834
  170    H    LYS  25           H        LYS  25   5.030  -4.200  -0.800
  171    HA   LYS  25           HA       LYS  25   4.353  -6.904  -1.055
  172    HB2  LYS  25          2HB       LYS  25   7.045  -5.577  -1.045
  173    HB3  LYS  25          1HB       LYS  25   6.832  -7.283  -1.368
  174    HG2  LYS  25          2HG       LYS  25   5.522  -6.728  -3.351
  175    HG3  LYS  25          1HG       LYS  25   5.737  -5.005  -3.002
  176    HD2  LYS  25          2HD       LYS  25   8.118  -5.193  -3.213
  177    HD3  LYS  25          1HD       LYS  25   8.015  -6.943  -3.364
  178    HE2  LYS  25          2HE       LYS  25   6.910  -6.736  -5.483
  179    HE3  LYS  25          1HE       LYS  25   6.839  -4.983  -5.322
  180    HZ1  LYS  25          1HZ       LYS  25   8.659  -5.737  -6.771
  181    HZ2  LYS  25          2HZ       LYS  25   9.371  -6.550  -5.471
  182    HZ3  LYS  25          3HZ       LYS  25   9.230  -4.885  -5.450
  183    H    GLU  26           H        GLU  26   6.127  -5.263   1.468
  184    HA   GLU  26           HA       GLU  26   7.095  -7.654   2.667
  185    HB2  GLU  26          2HB       GLU  26   6.936  -4.870   3.816
  186    HB3  GLU  26          1HB       GLU  26   7.828  -6.214   4.514
  187    HG2  GLU  26          2HG       GLU  26   8.362  -4.847   1.889
  188    HG3  GLU  26          1HG       GLU  26   9.363  -4.802   3.340
  189    H    HIS  27           H        HIS  27   4.424  -5.492   3.362
  190    HA   HIS  27           HA       HIS  27   3.635  -7.084   5.638
  191    HB2  HIS  27          2HB       HIS  27   2.209  -4.805   4.249
  192    HB3  HIS  27          1HB       HIS  27   1.569  -5.635   5.658
  193    HD1  HIS  27          1HD       HIS  27   2.222  -4.607   7.879
  194    HD2  HIS  27          2HD       HIS  27   4.761  -3.536   4.780
  195    HE1  HIS  27          1HE       HIS  27   3.826  -2.925   8.848
  196    H    TYR  28           H        TYR  28   2.612  -6.749   2.300
  197    HA   TYR  28           HA       TYR  28   1.013  -9.176   2.563
  198    HB2  TYR  28          2HB       TYR  28   0.172  -6.738   0.936
  199    HB3  TYR  28          1HB       TYR  28  -0.780  -8.184   1.262
  200    HD1  TYR  28          1HD       TYR  28  -1.564  -8.600   3.660
  201    HD2  TYR  28          2HD       TYR  28   0.086  -4.883   2.398
  202    HE1  TYR  28          1HE       TYR  28  -2.478  -7.507   5.666
  203    HE2  TYR  28          2HE       TYR  28  -0.822  -3.792   4.392
  204    HH   TYR  28           HH       TYR  28  -2.560  -4.126   6.119
  205    H    HIS  29           H        HIS  29   2.236 -10.514   1.369
  206    HA   HIS  29           HA       HIS  29   4.279  -9.613  -0.332
  207    HB2  HIS  29          2HB       HIS  29   3.196 -12.414  -0.097
  208    HB3  HIS  29          1HB       HIS  29   4.733 -11.955  -0.814
  209    HD1  HIS  29          1HD       HIS  29   6.107 -10.275   1.257
  210    HD2  HIS  29          2HD       HIS  29   3.644 -13.467   2.273
  211    HE1  HIS  29          1HE       HIS  29   6.799 -10.970   3.567
  212    H    HIS  30           H        HIS  30   1.023 -10.328  -1.050
  213    HA   HIS  30           HA       HIS  30   1.644 -10.683  -3.879
  214    HB2  HIS  30          2HB       HIS  30  -0.957 -10.955  -2.377
  215    HB3  HIS  30          1HB       HIS  30  -0.790 -11.174  -4.110
  216    HD1  HIS  30          1HD       HIS  30  -0.032 -13.464  -4.901
  217    HD2  HIS  30          2HD       HIS  30   0.329 -12.971  -0.793
  218    HE1  HIS  30          1HE       HIS  30   0.419 -15.762  -3.962
  219    H    ALA  31           H        ALA  31   1.577  -8.093  -2.120
  220    HA   ALA  31           HA       ALA  31  -0.431  -6.503  -3.365
  221    HB1  ALA  31          1HB       ALA  31   2.032  -5.601  -1.886
  222    HB2  ALA  31          2HB       ALA  31   0.463  -5.936  -1.155
  223    HB3  ALA  31          3HB       ALA  31   0.636  -4.607  -2.305
  224    H    CYS  32           H        CYS  32  -0.403  -5.500  -5.169
  225    HA   CYS  32           HA       CYS  32   2.038  -5.559  -6.786
  226    HB2  CYS  32          2HB       CYS  32   0.387  -5.293  -8.684
  227    HB3  CYS  32          1HB       CYS  32   0.313  -6.818  -7.802
  228    H    LYS  33           H        LYS  33  -0.170  -3.379  -5.230
  229    HA   LYS  33           HA       LYS  33   1.224  -1.094  -6.311
  230    HB2  LYS  33          2HB       LYS  33  -0.471  -1.625  -8.058
  231    HB3  LYS  33          1HB       LYS  33  -1.732  -1.519  -6.855
  232    HG2  LYS  33          2HG       LYS  33  -1.624   0.463  -8.299
  233    HG3  LYS  33          1HG       LYS  33  -1.353   0.856  -6.603
  234    HD2  LYS  33          2HD       LYS  33   0.179   2.051  -8.155
  235    HD3  LYS  33          1HD       LYS  33   1.023   1.055  -6.977
  236    HE2  LYS  33          2HE       LYS  33   1.382  -0.663  -8.653
  237    HE3  LYS  33          1HE       LYS  33   0.442   0.249  -9.831
  238    HZ1  LYS  33          1HZ       LYS  33   2.067   1.945  -9.833
  239    HZ2  LYS  33          2HZ       LYS  33   2.898   0.507 -10.057
  240    HZ3  LYS  33          3HZ       LYS  33   2.901   1.291  -8.539
  241    H    GLY  34           H        GLY  34   0.623   0.898  -5.086
  242    HA2  GLY  34          2HA       GLY  34  -1.057   0.399  -2.754
  243    HA3  GLY  34          1HA       GLY  34   0.589   0.976  -2.526
  244    H    GLU  35           H        GLU  35  -1.954   2.234  -1.874
  245    HA   GLU  35           HA       GLU  35  -1.663   4.775  -3.375
  246    HB2  GLU  35          2HB       GLU  35  -3.818   3.591  -3.795
  247    HB3  GLU  35          1HB       GLU  35  -4.136   3.621  -2.067
  248    HG2  GLU  35          2HG       GLU  35  -5.429   5.313  -3.145
  249    HG3  GLU  35          1HG       GLU  35  -4.178   6.088  -2.180
  250    H    CYS  36           H        CYS  36  -1.077   6.449  -2.048
  251    HA   CYS  36           HA       CYS  36  -0.829   5.941   0.793
  252    HB2  CYS  36          2HB       CYS  36  -0.105   8.422  -0.795
  253    HB3  CYS  36          1HB       CYS  36   0.302   8.122   0.883
  254    H    GLU  37           H        GLU  37  -2.574   6.188   2.012
  255    HA   GLU  37           HA       GLU  37  -4.417   8.413   1.460
  256    HB2  GLU  37          2HB       GLU  37  -4.997   5.668   2.591
  257    HB3  GLU  37          1HB       GLU  37  -6.164   6.977   2.525
  258    HG2  GLU  37          2HG       GLU  37  -4.837   5.712   0.135
  259    HG3  GLU  37          1HG       GLU  37  -6.460   5.343   0.713
  260    H    TYR  38           H        TYR  38  -4.829   9.749   3.135
  261    HA   TYR  38           HA       TYR  38  -3.163   9.479   5.466
  262    HB2  TYR  38          2HB       TYR  38  -5.092  11.640   4.635
  263    HB3  TYR  38          1HB       TYR  38  -4.086  11.703   6.073
  264    HD1  TYR  38          1HD       TYR  38  -4.210  12.130   2.462
  265    HD2  TYR  38          2HD       TYR  38  -1.632  11.946   5.844
  266    HE1  TYR  38          1HE       TYR  38  -2.433  13.191   1.160
  267    HE2  TYR  38          2HE       TYR  38   0.149  13.004   4.550
  268    HH   TYR  38           HH       TYR  38   0.790  13.320   2.252
  269    H    HIS  39           H        HIS  39  -3.771   8.812   7.393
  270    HA   HIS  39           HA       HIS  39  -6.632   8.660   7.967
  271    HB2  HIS  39          2HB       HIS  39  -4.498   6.630   8.674
  272    HB3  HIS  39          1HB       HIS  39  -6.101   6.654   9.399
  273    HD1  HIS  39          1HD       HIS  39  -4.297   5.126   6.725
  274    HD2  HIS  39          2HD       HIS  39  -8.175   6.458   7.298
  275    HE1  HIS  39          1HE       HIS  39  -5.696   3.973   4.963
  276    H    GLY  40           H        GLY  40  -6.941  10.214   9.311
  277    HA2  GLY  40          2HA       GLY  40  -6.846  11.351  11.303
  278    HA3  GLY  40          1HA       GLY  40  -5.591  10.231  11.830
  279    H    ARG  41           H        ARG  41  -3.490  10.762  11.613
  280    HA   ARG  41           HA       ARG  41  -2.910  13.387  10.429
  281    HB2  ARG  41          2HB       ARG  41  -1.823  12.260  13.008
  282    HB3  ARG  41          1HB       ARG  41  -1.243  13.728  12.233
  283    HG2  ARG  41          2HG       ARG  41  -3.431  14.747  12.500
  284    HG3  ARG  41          1HG       ARG  41  -4.036  13.270  13.246
  285    HD2  ARG  41          2HD       ARG  41  -2.481  13.535  15.090
  286    HD3  ARG  41          1HD       ARG  41  -1.785  14.961  14.313
  287    HE   ARG  41           HE       ARG  41  -4.491  15.397  14.539
  288   HH11  ARG  41          1HH1      ARG  41  -1.792  14.971  16.822
  289   HH12  ARG  41          2HH1      ARG  41  -2.468  15.973  18.012
  290   HH21  ARG  41          1HH2      ARG  41  -5.400  16.764  16.180
  291   HH22  ARG  41          2HH2      ARG  41  -4.573  17.010  17.646
  292    H    GLU  42           H        GLU  42  -2.313  10.149  10.174
  293    HA   GLU  42           HA       GLU  42   0.361  10.654   9.072
  294    HB2  GLU  42          2HB       GLU  42   0.397   9.385  11.270
  295    HB3  GLU  42          1HB       GLU  42  -0.478   8.095  10.462
  296    HG2  GLU  42          2HG       GLU  42   1.376   7.784   8.917
  297    HG3  GLU  42          1HG       GLU  42   2.249   9.107   9.683
  298    H    VAL  43           H        VAL  43   0.865   9.486   7.186
  299    HA   VAL  43           HA       VAL  43  -1.497   8.649   5.722
  300    HB   VAL  43           HB       VAL  43   0.124  10.301   4.746
  301   HG11  VAL  43          1HG1      VAL  43   2.208   9.540   3.769
  302   HG12  VAL  43          2HG1      VAL  43   1.940   7.945   4.471
  303   HG13  VAL  43          3HG1      VAL  43   2.191   9.337   5.530
  304   HG21  VAL  43          1HG2      VAL  43   0.143   9.377   2.497
  305   HG22  VAL  43          2HG2      VAL  43  -1.405   9.097   3.300
  306   HG23  VAL  43          3HG2      VAL  43  -0.240   7.782   3.144
  307    H    HIS  44           H        HIS  44  -1.871   6.636   4.936
  308    HA   HIS  44           HA       HIS  44   0.073   4.513   5.587
  309    HB2  HIS  44          2HB       HIS  44  -2.964   4.331   5.723
  310    HB3  HIS  44          1HB       HIS  44  -1.857   3.001   5.973
  311    HD1  HIS  44          1HD       HIS  44  -3.562   3.049   8.251
  312    HD2  HIS  44          2HD       HIS  44  -0.482   5.846   7.991
  313    HE1  HIS  44          1HE       HIS  44  -3.210   3.908  10.571
  314    H    CYS  45           H        CYS  45   0.065   2.815   4.007
  315    HA   CYS  45           HA       CYS  45  -1.078   3.674   1.475
  316    HB2  CYS  45          2HB       CYS  45   1.228   1.977   2.196
  317    HB3  CYS  45          1HB       CYS  45   0.383   1.578   0.710
  318    H    HIS  46           H        HIS  46  -2.751   2.816   0.657
  319    HA   HIS  46           HA       HIS  46  -3.837   0.334   1.683
  320    HB2  HIS  46          2HB       HIS  46  -4.793   2.285  -0.429
  321    HB3  HIS  46          1HB       HIS  46  -5.584   0.741  -0.153
  322    HD1  HIS  46          1HD       HIS  46  -7.491   2.899   0.290
  323    HD2  HIS  46          2HD       HIS  46  -4.768   1.822   3.240
  324    HE1  HIS  46          1HE       HIS  46  -8.480   3.669   2.454
  325    H    CYS  47           H        CYS  47  -2.973  -1.436   1.014
  326    HA   CYS  47           HA       CYS  47  -1.461  -1.484  -1.440
  327    HB2  CYS  47          2HB       CYS  47  -1.822  -3.589   0.682
  328    HB3  CYS  47          1HB       CYS  47  -0.600  -3.568  -0.589
  329    H    TYR  48           H        TYR  48  -2.200  -2.291  -3.232
  330    HA   TYR  48           HA       TYR  48  -4.759  -3.718  -3.311
  331    HB2  TYR  48          2HB       TYR  48  -3.033  -2.690  -5.571
  332    HB3  TYR  48          1HB       TYR  48  -4.655  -3.332  -5.710
  333    HD1  TYR  48          1HD       TYR  48  -2.640  -0.485  -4.586
  334    HD2  TYR  48          2HD       TYR  48  -6.561  -1.926  -5.322
  335    HE1  TYR  48          1HE       TYR  48  -3.468   1.783  -4.481
  336    HE2  TYR  48          2HE       TYR  48  -7.430   0.357  -5.211
  337    HH   TYR  48           HH       TYR  48  -6.803   2.534  -4.308
  338    H    GLY  49           H        GLY  49  -4.848  -5.770  -4.264
  339    HA2  GLY  49          2HA       GLY  49  -2.979  -7.000  -5.812
  340    HA3  GLY  49          1HA       GLY  49  -2.447  -7.305  -4.164
  341    H    ASP  50           H        ASP  50  -3.021  -9.387  -5.599
  342    HA   ASP  50           HA       ASP  50  -5.594 -10.330  -4.521
  343    HB2  ASP  50          2HB       ASP  50  -5.666 -10.011  -7.024
  344    HB3  ASP  50          1HB       ASP  50  -4.316 -11.131  -7.153
  345    H    TYR  51           H        TYR  51  -5.117 -11.868  -3.028
  346    HA   TYR  51           HA       TYR  51  -2.460 -12.967  -3.248
  347    HB2  TYR  51          2HB       TYR  51  -2.329 -13.266  -0.859
  348    HB3  TYR  51          1HB       TYR  51  -2.777 -11.619  -1.213
  349    HD1  TYR  51          1HD       TYR  51  -3.095 -13.927   1.158
  350    HD2  TYR  51          2HD       TYR  51  -5.689 -11.614  -1.300
  351    HE1  TYR  51          1HE       TYR  51  -4.835 -14.087   2.860
  352    HE2  TYR  51          2HE       TYR  51  -7.449 -11.782   0.407
  353    HH   TYR  51           HH       TYR  51  -6.865 -12.775   3.550
  354    H    HIS  52           H        HIS  52  -2.209 -15.029  -2.026
  355    HA   HIS  52           HA       HIS  52  -2.459 -17.277  -1.956
  356    HB2  HIS  52          2HB       HIS  52  -5.308 -16.905  -2.964
  357    HB3  HIS  52          1HB       HIS  52  -4.610 -18.413  -2.409
  358    HD1  HIS  52          1HD       HIS  52  -6.834 -15.904  -1.340
  359    HD2  HIS  52          2HD       HIS  52  -3.769 -18.008   0.506
  360    HE1  HIS  52          1HE       HIS  52  -7.342 -15.847   1.115